USER MOD reduce.3.24.130724 H: found=0, std=0, add=1822, rem=0, adj=62 USER MOD reduce.3.24.130724 removed 1828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 81 CYS SG : rot 64:sc= 2.36 USER MOD Set 1.2: B 110 THR OG1 : rot -99:sc= 1.33 USER MOD Set 2.1: B 57 TYR OH : rot 180:sc= -0.353 USER MOD Set 2.2: B 61 HIS : no HE2:sc= -0.0472 K(o=-0.4,f=-1.3) USER MOD Set 3.1: B 47 THR OG1 : rot 180:sc= -0.503 USER MOD Set 3.2: B 49 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 81 CYS SG : rot 58:sc= 2.4 USER MOD Set 4.2: A 110 THR OG1 : rot -97:sc= 1.39 USER MOD Set 5.1: A 57 TYR OH : rot -177:sc= -0.352 USER MOD Set 5.2: A 61 HIS : no HE2:sc= -0.0795 K(o=-0.43,f=-1.5) USER MOD Set 6.1: A 47 THR OG1 : rot 140:sc= -0.49 USER MOD Set 6.2: A 49 THR OG1 : rot 180:sc= 0.00149 USER MOD Single : A 2 SER OG : rot 39:sc= 0.178 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 90:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.931 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00982) USER MOD Single : A 22 CYS SG : rot 75:sc= 0.945 USER MOD Single : A 23 MET CE :methyl 169:sc= -0.0197 (180deg=-0.171) USER MOD Single : A 24 SER OG : rot 180:sc= -0.11 USER MOD Single : A 26 THR OG1 : rot 177:sc= 0.49 USER MOD Single : A 28 LYS NZ :NH3+ 139:sc= -0.222 (180deg=-0.375) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 30 MET CE :methyl 161:sc= 0 (180deg=-0.296) USER MOD Single : A 37 SER OG : rot -170:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -153:sc= 0.198 USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0533) USER MOD Single : A 58 CYS SG : rot 85:sc= -3.9! USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 62 HIS : no HD1:sc= -0.0337 K(o=-0.034,f=-1.4) USER MOD Single : A 63 GLN : amide:sc= 0.0573 X(o=0.057,f=-0.026) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 92:sc= 0.874 USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= 0.401 (180deg=0.107) USER MOD Single : A 85 GLN : amide:sc= -1.96 K(o=-2,f=-0.49) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.761 USER MOD Single : A 96 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.1) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -163:sc= -0.732 (180deg=-1.11) USER MOD Single : A 107 THR OG1 : rot 78:sc= 0.88 USER MOD Single : A 108 CYS SG : rot 81:sc= 0.881 USER MOD Single : A 109 LYS NZ :NH3+ -145:sc= 0.296 (180deg=-0.412) USER MOD Single : A 113 ASN : amide:sc= -0.0095 K(o=-0.0095,f=-0.74) USER MOD Single : A 114 MET CE :methyl -118:sc= -1.42 (180deg=-2.71!) USER MOD Single : B 2 SER OG : rot 27:sc= 0.124 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot 90:sc= 0.00137 USER MOD Single : B 9 SER OG : rot 180:sc= -0.959 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0113) USER MOD Single : B 22 CYS SG : rot 66:sc= 1.06 USER MOD Single : B 23 MET CE :methyl 169:sc= -0.0293 (180deg=-0.217) USER MOD Single : B 24 SER OG : rot 180:sc= -0.12 USER MOD Single : B 26 THR OG1 : rot 178:sc= 0.457 USER MOD Single : B 28 LYS NZ :NH3+ 138:sc= -0.136 (180deg=-0.446) USER MOD Single : B 29 ASN : amide:sc=-0.00653 K(o=-0.0065,f=-1) USER MOD Single : B 30 MET CE :methyl 159:sc= 0 (180deg=-0.335) USER MOD Single : B 37 SER OG : rot -179:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 48 SER OG : rot -153:sc= 0.239 USER MOD Single : B 53 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0204) USER MOD Single : B 58 CYS SG : rot 96:sc= -3.86! USER MOD Single : B 60 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : B 62 HIS : no HD1:sc= 0.0601 K(o=0.06,f=-1.8) USER MOD Single : B 63 GLN : amide:sc= 0.0468 X(o=0.047,f=-0.01) USER MOD Single : B 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 76 TYR OH : rot 92:sc= 0.737 USER MOD Single : B 82 LYS NZ :NH3+ 162:sc= 0.278 (180deg=-0.105) USER MOD Single : B 85 GLN : amide:sc= -1.95 K(o=-1.9,f=-0.54) USER MOD Single : B 87 THR OG1 : rot 170:sc= -0.495 USER MOD Single : B 96 ASN : amide:sc= -0.988 X(o=-0.99,f=-0.93) USER MOD Single : B 97 TYR OH : rot 180:sc= 0 USER MOD Single : B 101 LYS NZ :NH3+ -165:sc= -0.606 (180deg=-1.28) USER MOD Single : B 107 THR OG1 : rot 78:sc= 0.907 USER MOD Single : B 108 CYS SG : rot 82:sc= 0.805 USER MOD Single : B 109 LYS NZ :NH3+ -150:sc= 0.314 (180deg=-0.602) USER MOD Single : B 113 ASN : amide:sc=-0.00214 K(o=-0.0021,f=-0.8) USER MOD Single : B 114 MET CE :methyl -117:sc= -1.47 (180deg=-2.57!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -14.559 -15.257 -16.250 1.00 41.44 N ATOM 2 CA SER A 2 -15.914 -14.657 -16.227 1.00 22.34 C ATOM 3 C SER A 2 -15.926 -13.370 -15.387 1.00 43.32 C ATOM 4 O SER A 2 -14.985 -13.107 -14.623 1.00 2.35 O ATOM 5 CB SER A 2 -16.922 -15.682 -15.678 1.00 12.21 C ATOM 6 OG SER A 2 -16.827 -16.914 -16.383 1.00 3.32 O ATOM 0 HA SER A 2 -16.202 -14.390 -17.244 1.00 22.34 H new ATOM 0 HB2 SER A 2 -16.735 -15.850 -14.617 1.00 12.21 H new ATOM 0 HB3 SER A 2 -17.934 -15.286 -15.765 1.00 12.21 H new ATOM 0 HG SER A 2 -15.887 -17.106 -16.581 1.00 3.32 H new ATOM 14 N LEU A 3 -17.001 -12.574 -15.535 1.00 4.23 N ATOM 15 CA LEU A 3 -17.169 -11.303 -14.805 1.00 45.24 C ATOM 16 C LEU A 3 -17.642 -11.554 -13.359 1.00 32.32 C ATOM 17 O LEU A 3 -18.567 -12.345 -13.129 1.00 34.03 O ATOM 18 CB LEU A 3 -18.205 -10.388 -15.517 1.00 74.10 C ATOM 19 CG LEU A 3 -17.904 -10.005 -16.994 1.00 54.33 C ATOM 20 CD1 LEU A 3 -19.095 -9.230 -17.603 1.00 74.50 C ATOM 21 CD2 LEU A 3 -16.586 -9.205 -17.117 1.00 61.02 C ATOM 0 H LEU A 3 -17.775 -12.792 -16.162 1.00 4.23 H new ATOM 0 HA LEU A 3 -16.197 -10.810 -14.788 1.00 45.24 H new ATOM 0 HB2 LEU A 3 -19.175 -10.884 -15.486 1.00 74.10 H new ATOM 0 HB3 LEU A 3 -18.299 -9.468 -14.940 1.00 74.10 H new ATOM 0 HG LEU A 3 -17.771 -10.926 -17.562 1.00 54.33 H new ATOM 0 HD11 LEU A 3 -18.869 -8.969 -18.637 1.00 74.50 H new ATOM 0 HD12 LEU A 3 -19.988 -9.854 -17.573 1.00 74.50 H new ATOM 0 HD13 LEU A 3 -19.269 -8.320 -17.029 1.00 74.50 H new ATOM 0 HD21 LEU A 3 -16.408 -8.955 -18.163 1.00 61.02 H new ATOM 0 HD22 LEU A 3 -16.661 -8.288 -16.532 1.00 61.02 H new ATOM 0 HD23 LEU A 3 -15.758 -9.807 -16.742 1.00 61.02 H new ATOM 33 N VAL A 4 -16.984 -10.895 -12.403 1.00 12.22 N ATOM 34 CA VAL A 4 -17.478 -10.737 -11.025 1.00 23.23 C ATOM 35 C VAL A 4 -18.013 -9.303 -10.860 1.00 44.52 C ATOM 36 O VAL A 4 -17.468 -8.350 -11.442 1.00 53.23 O ATOM 37 CB VAL A 4 -16.371 -11.037 -9.946 1.00 75.20 C ATOM 38 CG1 VAL A 4 -15.956 -12.525 -9.980 1.00 32.53 C ATOM 39 CG2 VAL A 4 -15.146 -10.103 -10.115 1.00 52.05 C ATOM 0 H VAL A 4 -16.081 -10.449 -12.562 1.00 12.22 H new ATOM 0 HA VAL A 4 -18.272 -11.465 -10.860 1.00 23.23 H new ATOM 0 HB VAL A 4 -16.799 -10.833 -8.965 1.00 75.20 H new ATOM 0 HG11 VAL A 4 -15.190 -12.707 -9.226 1.00 32.53 H new ATOM 0 HG12 VAL A 4 -16.825 -13.150 -9.773 1.00 32.53 H new ATOM 0 HG13 VAL A 4 -15.560 -12.770 -10.965 1.00 32.53 H new ATOM 0 HG21 VAL A 4 -14.402 -10.338 -9.354 1.00 52.05 H new ATOM 0 HG22 VAL A 4 -14.712 -10.248 -11.104 1.00 52.05 H new ATOM 0 HG23 VAL A 4 -15.462 -9.065 -10.006 1.00 52.05 H new ATOM 49 N LYS A 5 -19.086 -9.162 -10.085 1.00 21.35 N ATOM 50 CA LYS A 5 -19.762 -7.878 -9.886 1.00 54.00 C ATOM 51 C LYS A 5 -19.225 -7.206 -8.611 1.00 4.23 C ATOM 52 O LYS A 5 -19.278 -7.802 -7.525 1.00 64.11 O ATOM 53 CB LYS A 5 -21.292 -8.100 -9.796 1.00 35.33 C ATOM 54 CG LYS A 5 -21.916 -8.809 -11.018 1.00 52.50 C ATOM 55 CD LYS A 5 -23.459 -8.830 -10.966 1.00 3.34 C ATOM 56 CE LYS A 5 -24.084 -9.536 -12.180 1.00 53.55 C ATOM 57 NZ LYS A 5 -25.563 -9.408 -12.188 1.00 12.43 N ATOM 0 H LYS A 5 -19.514 -9.935 -9.575 1.00 21.35 H new ATOM 0 HA LYS A 5 -19.562 -7.221 -10.732 1.00 54.00 H new ATOM 0 HB2 LYS A 5 -21.508 -8.687 -8.903 1.00 35.33 H new ATOM 0 HB3 LYS A 5 -21.778 -7.133 -9.667 1.00 35.33 H new ATOM 0 HG2 LYS A 5 -21.593 -8.306 -11.930 1.00 52.50 H new ATOM 0 HG3 LYS A 5 -21.544 -9.832 -11.070 1.00 52.50 H new ATOM 0 HD2 LYS A 5 -23.781 -9.332 -10.054 1.00 3.34 H new ATOM 0 HD3 LYS A 5 -23.831 -7.807 -10.915 1.00 3.34 H new ATOM 0 HE2 LYS A 5 -23.677 -9.111 -13.098 1.00 53.55 H new ATOM 0 HE3 LYS A 5 -23.810 -10.591 -12.168 1.00 53.55 H new ATOM 0 HZ1 LYS A 5 -25.949 -9.896 -13.021 1.00 12.43 H new ATOM 0 HZ2 LYS A 5 -25.953 -9.836 -11.324 1.00 12.43 H new ATOM 0 HZ3 LYS A 5 -25.824 -8.402 -12.224 1.00 12.43 H new ATOM 71 N LEU A 6 -18.679 -5.990 -8.758 1.00 71.41 N ATOM 72 CA LEU A 6 -18.121 -5.205 -7.645 1.00 71.24 C ATOM 73 C LEU A 6 -18.942 -3.920 -7.471 1.00 3.40 C ATOM 74 O LEU A 6 -18.663 -2.913 -8.128 1.00 53.32 O ATOM 75 CB LEU A 6 -16.611 -4.870 -7.894 1.00 43.30 C ATOM 76 CG LEU A 6 -15.657 -6.079 -8.177 1.00 20.32 C ATOM 77 CD1 LEU A 6 -14.200 -5.605 -8.395 1.00 60.35 C ATOM 78 CD2 LEU A 6 -15.730 -7.141 -7.061 1.00 44.31 C ATOM 0 H LEU A 6 -18.611 -5.519 -9.660 1.00 71.41 H new ATOM 0 HA LEU A 6 -18.178 -5.796 -6.731 1.00 71.24 H new ATOM 0 HB2 LEU A 6 -16.550 -4.184 -8.739 1.00 43.30 H new ATOM 0 HB3 LEU A 6 -16.233 -4.336 -7.022 1.00 43.30 H new ATOM 0 HG LEU A 6 -16.001 -6.549 -9.098 1.00 20.32 H new ATOM 0 HD11 LEU A 6 -13.562 -6.467 -8.589 1.00 60.35 H new ATOM 0 HD12 LEU A 6 -14.162 -4.926 -9.247 1.00 60.35 H new ATOM 0 HD13 LEU A 6 -13.848 -5.087 -7.503 1.00 60.35 H new ATOM 0 HD21 LEU A 6 -15.053 -7.963 -7.296 1.00 44.31 H new ATOM 0 HD22 LEU A 6 -15.439 -6.692 -6.111 1.00 44.31 H new ATOM 0 HD23 LEU A 6 -16.749 -7.520 -6.986 1.00 44.31 H new ATOM 90 N GLU A 7 -19.983 -3.962 -6.622 1.00 2.31 N ATOM 91 CA GLU A 7 -20.796 -2.770 -6.316 1.00 21.12 C ATOM 92 C GLU A 7 -20.017 -1.843 -5.386 1.00 61.41 C ATOM 93 O GLU A 7 -19.676 -2.244 -4.281 1.00 53.14 O ATOM 94 CB GLU A 7 -22.156 -3.122 -5.646 1.00 54.40 C ATOM 95 CG GLU A 7 -23.143 -3.913 -6.519 1.00 1.23 C ATOM 96 CD GLU A 7 -22.773 -5.397 -6.666 1.00 13.34 C ATOM 97 OE1 GLU A 7 -22.125 -5.768 -7.658 1.00 73.12 O ATOM 98 OE2 GLU A 7 -23.122 -6.185 -5.764 1.00 10.13 O ATOM 0 H GLU A 7 -20.282 -4.807 -6.135 1.00 2.31 H new ATOM 0 HA GLU A 7 -21.010 -2.282 -7.267 1.00 21.12 H new ATOM 0 HB2 GLU A 7 -21.957 -3.698 -4.742 1.00 54.40 H new ATOM 0 HB3 GLU A 7 -22.637 -2.195 -5.334 1.00 54.40 H new ATOM 0 HG2 GLU A 7 -24.141 -3.836 -6.087 1.00 1.23 H new ATOM 0 HG3 GLU A 7 -23.188 -3.457 -7.508 1.00 1.23 H new ATOM 105 N SER A 8 -19.746 -0.615 -5.834 1.00 12.54 N ATOM 106 CA SER A 8 -19.176 0.441 -4.977 1.00 52.32 C ATOM 107 C SER A 8 -20.178 0.861 -3.874 1.00 4.54 C ATOM 108 O SER A 8 -21.307 0.347 -3.811 1.00 30.42 O ATOM 109 CB SER A 8 -18.798 1.643 -5.867 1.00 24.35 C ATOM 110 OG SER A 8 -19.902 2.061 -6.657 1.00 75.11 O ATOM 0 H SER A 8 -19.913 -0.320 -6.796 1.00 12.54 H new ATOM 0 HA SER A 8 -18.286 0.064 -4.474 1.00 52.32 H new ATOM 0 HB2 SER A 8 -18.460 2.470 -5.242 1.00 24.35 H new ATOM 0 HB3 SER A 8 -17.965 1.372 -6.515 1.00 24.35 H new ATOM 0 HG SER A 8 -20.418 2.735 -6.167 1.00 75.11 H new ATOM 116 N SER A 9 -19.764 1.799 -3.011 1.00 72.33 N ATOM 117 CA SER A 9 -20.650 2.405 -2.000 1.00 71.24 C ATOM 118 C SER A 9 -21.805 3.169 -2.682 1.00 43.44 C ATOM 119 O SER A 9 -22.913 3.257 -2.146 1.00 44.01 O ATOM 120 CB SER A 9 -19.842 3.350 -1.091 1.00 5.11 C ATOM 121 OG SER A 9 -19.256 4.408 -1.831 1.00 60.11 O ATOM 0 H SER A 9 -18.810 2.160 -2.992 1.00 72.33 H new ATOM 0 HA SER A 9 -21.079 1.611 -1.389 1.00 71.24 H new ATOM 0 HB2 SER A 9 -20.494 3.761 -0.321 1.00 5.11 H new ATOM 0 HB3 SER A 9 -19.062 2.786 -0.580 1.00 5.11 H new ATOM 0 HG SER A 9 -18.752 4.991 -1.225 1.00 60.11 H new ATOM 127 N ASP A 10 -21.524 3.682 -3.895 1.00 50.35 N ATOM 128 CA ASP A 10 -22.498 4.408 -4.734 1.00 13.14 C ATOM 129 C ASP A 10 -23.375 3.420 -5.562 1.00 61.44 C ATOM 130 O ASP A 10 -24.143 3.835 -6.434 1.00 5.34 O ATOM 131 CB ASP A 10 -21.710 5.398 -5.635 1.00 32.12 C ATOM 132 CG ASP A 10 -22.601 6.324 -6.490 1.00 52.03 C ATOM 133 OD1 ASP A 10 -23.253 7.227 -5.923 1.00 55.31 O ATOM 134 OD2 ASP A 10 -22.651 6.155 -7.724 1.00 41.42 O ATOM 0 H ASP A 10 -20.603 3.603 -4.326 1.00 50.35 H new ATOM 0 HA ASP A 10 -23.193 4.969 -4.110 1.00 13.14 H new ATOM 0 HB2 ASP A 10 -21.067 6.012 -5.004 1.00 32.12 H new ATOM 0 HB3 ASP A 10 -21.057 4.828 -6.297 1.00 32.12 H new ATOM 139 N GLU A 11 -23.246 2.107 -5.259 1.00 44.41 N ATOM 140 CA GLU A 11 -24.096 1.012 -5.803 1.00 24.44 C ATOM 141 C GLU A 11 -23.837 0.723 -7.298 1.00 11.24 C ATOM 142 O GLU A 11 -24.561 -0.083 -7.902 1.00 2.31 O ATOM 143 CB GLU A 11 -25.610 1.288 -5.554 1.00 31.54 C ATOM 144 CG GLU A 11 -26.009 1.451 -4.071 1.00 44.35 C ATOM 145 CD GLU A 11 -27.513 1.733 -3.893 1.00 71.44 C ATOM 146 OE1 GLU A 11 -27.923 2.907 -4.001 1.00 33.20 O ATOM 147 OE2 GLU A 11 -28.293 0.778 -3.673 1.00 51.24 O ATOM 0 H GLU A 11 -22.532 1.767 -4.614 1.00 44.41 H new ATOM 0 HA GLU A 11 -23.808 0.115 -5.255 1.00 24.44 H new ATOM 0 HB2 GLU A 11 -25.892 2.193 -6.092 1.00 31.54 H new ATOM 0 HB3 GLU A 11 -26.188 0.469 -5.982 1.00 31.54 H new ATOM 0 HG2 GLU A 11 -25.745 0.545 -3.525 1.00 44.35 H new ATOM 0 HG3 GLU A 11 -25.435 2.267 -3.631 1.00 44.35 H new ATOM 154 N LYS A 12 -22.806 1.359 -7.893 1.00 41.22 N ATOM 155 CA LYS A 12 -22.428 1.105 -9.295 1.00 23.41 C ATOM 156 C LYS A 12 -21.786 -0.290 -9.405 1.00 44.32 C ATOM 157 O LYS A 12 -20.776 -0.560 -8.750 1.00 44.24 O ATOM 158 CB LYS A 12 -21.461 2.207 -9.818 1.00 40.21 C ATOM 159 CG LYS A 12 -22.074 3.634 -9.984 1.00 20.33 C ATOM 160 CD LYS A 12 -22.728 3.904 -11.368 1.00 11.41 C ATOM 161 CE LYS A 12 -24.072 3.199 -11.584 1.00 22.34 C ATOM 162 NZ LYS A 12 -24.630 3.485 -12.935 1.00 53.01 N ATOM 0 H LYS A 12 -22.222 2.051 -7.423 1.00 41.22 H new ATOM 0 HA LYS A 12 -23.323 1.135 -9.917 1.00 23.41 H new ATOM 0 HB2 LYS A 12 -20.615 2.274 -9.134 1.00 40.21 H new ATOM 0 HB3 LYS A 12 -21.067 1.888 -10.783 1.00 40.21 H new ATOM 0 HG2 LYS A 12 -22.824 3.785 -9.208 1.00 20.33 H new ATOM 0 HG3 LYS A 12 -21.290 4.373 -9.818 1.00 20.33 H new ATOM 0 HD2 LYS A 12 -22.873 4.978 -11.484 1.00 11.41 H new ATOM 0 HD3 LYS A 12 -22.037 3.589 -12.150 1.00 11.41 H new ATOM 0 HE2 LYS A 12 -23.943 2.123 -11.463 1.00 22.34 H new ATOM 0 HE3 LYS A 12 -24.780 3.523 -10.821 1.00 22.34 H new ATOM 0 HZ1 LYS A 12 -25.539 2.992 -13.047 1.00 53.01 H new ATOM 0 HZ2 LYS A 12 -24.776 4.509 -13.041 1.00 53.01 H new ATOM 0 HZ3 LYS A 12 -23.965 3.153 -13.663 1.00 53.01 H new ATOM 176 N VAL A 13 -22.389 -1.145 -10.241 1.00 63.45 N ATOM 177 CA VAL A 13 -22.019 -2.555 -10.392 1.00 44.02 C ATOM 178 C VAL A 13 -20.891 -2.682 -11.436 1.00 13.13 C ATOM 179 O VAL A 13 -21.147 -2.670 -12.651 1.00 50.44 O ATOM 180 CB VAL A 13 -23.275 -3.412 -10.827 1.00 53.50 C ATOM 181 CG1 VAL A 13 -22.965 -4.925 -10.859 1.00 75.41 C ATOM 182 CG2 VAL A 13 -24.501 -3.104 -9.931 1.00 0.23 C ATOM 0 H VAL A 13 -23.164 -0.868 -10.843 1.00 63.45 H new ATOM 0 HA VAL A 13 -21.664 -2.936 -9.435 1.00 44.02 H new ATOM 0 HB VAL A 13 -23.524 -3.119 -11.847 1.00 53.50 H new ATOM 0 HG11 VAL A 13 -23.857 -5.473 -11.163 1.00 75.41 H new ATOM 0 HG12 VAL A 13 -22.161 -5.117 -11.570 1.00 75.41 H new ATOM 0 HG13 VAL A 13 -22.658 -5.254 -9.867 1.00 75.41 H new ATOM 0 HG21 VAL A 13 -25.349 -3.708 -10.254 1.00 0.23 H new ATOM 0 HG22 VAL A 13 -24.262 -3.339 -8.894 1.00 0.23 H new ATOM 0 HG23 VAL A 13 -24.756 -2.047 -10.014 1.00 0.23 H new ATOM 192 N PHE A 14 -19.642 -2.742 -10.948 1.00 3.41 N ATOM 193 CA PHE A 14 -18.448 -2.907 -11.791 1.00 23.24 C ATOM 194 C PHE A 14 -18.251 -4.393 -12.128 1.00 74.13 C ATOM 195 O PHE A 14 -17.577 -5.135 -11.401 1.00 35.10 O ATOM 196 CB PHE A 14 -17.196 -2.316 -11.094 1.00 12.02 C ATOM 197 CG PHE A 14 -17.248 -0.799 -10.896 1.00 54.01 C ATOM 198 CD1 PHE A 14 -17.720 -0.234 -9.709 1.00 73.00 C ATOM 199 CD2 PHE A 14 -16.837 0.064 -11.912 1.00 22.13 C ATOM 200 CE1 PHE A 14 -17.774 1.137 -9.542 1.00 61.44 C ATOM 201 CE2 PHE A 14 -16.890 1.432 -11.742 1.00 14.41 C ATOM 202 CZ PHE A 14 -17.358 1.968 -10.558 1.00 24.32 C ATOM 0 H PHE A 14 -19.431 -2.677 -9.952 1.00 3.41 H new ATOM 0 HA PHE A 14 -18.592 -2.358 -12.722 1.00 23.24 H new ATOM 0 HB2 PHE A 14 -17.075 -2.794 -10.122 1.00 12.02 H new ATOM 0 HB3 PHE A 14 -16.314 -2.565 -11.684 1.00 12.02 H new ATOM 0 HD1 PHE A 14 -18.048 -0.880 -8.908 1.00 73.00 H new ATOM 0 HD2 PHE A 14 -16.473 -0.344 -12.843 1.00 22.13 H new ATOM 0 HE1 PHE A 14 -18.142 1.555 -8.617 1.00 61.44 H new ATOM 0 HE2 PHE A 14 -16.564 2.086 -12.537 1.00 14.41 H new ATOM 0 HZ PHE A 14 -17.398 3.040 -10.429 1.00 24.32 H new ATOM 212 N GLU A 15 -18.904 -4.816 -13.216 1.00 74.11 N ATOM 213 CA GLU A 15 -18.803 -6.178 -13.751 1.00 70.22 C ATOM 214 C GLU A 15 -17.484 -6.316 -14.526 1.00 13.51 C ATOM 215 O GLU A 15 -17.416 -6.033 -15.730 1.00 25.44 O ATOM 216 CB GLU A 15 -20.030 -6.478 -14.645 1.00 22.14 C ATOM 217 CG GLU A 15 -21.379 -6.237 -13.944 1.00 23.41 C ATOM 218 CD GLU A 15 -22.589 -6.516 -14.839 1.00 41.03 C ATOM 219 OE1 GLU A 15 -23.070 -5.587 -15.522 1.00 65.15 O ATOM 220 OE2 GLU A 15 -23.068 -7.666 -14.867 1.00 41.41 O ATOM 0 H GLU A 15 -19.525 -4.214 -13.757 1.00 74.11 H new ATOM 0 HA GLU A 15 -18.800 -6.907 -12.940 1.00 70.22 H new ATOM 0 HB2 GLU A 15 -19.978 -5.856 -15.538 1.00 22.14 H new ATOM 0 HB3 GLU A 15 -19.983 -7.515 -14.976 1.00 22.14 H new ATOM 0 HG2 GLU A 15 -21.438 -6.870 -13.059 1.00 23.41 H new ATOM 0 HG3 GLU A 15 -21.422 -5.204 -13.600 1.00 23.41 H new ATOM 227 N ILE A 16 -16.431 -6.701 -13.804 1.00 42.14 N ATOM 228 CA ILE A 16 -15.060 -6.764 -14.320 1.00 35.45 C ATOM 229 C ILE A 16 -14.555 -8.214 -14.206 1.00 64.30 C ATOM 230 O ILE A 16 -15.083 -8.979 -13.390 1.00 4.04 O ATOM 231 CB ILE A 16 -14.147 -5.745 -13.529 1.00 75.40 C ATOM 232 CG1 ILE A 16 -12.774 -5.544 -14.238 1.00 71.11 C ATOM 233 CG2 ILE A 16 -13.960 -6.174 -12.048 1.00 1.31 C ATOM 234 CD1 ILE A 16 -11.931 -4.407 -13.694 1.00 54.53 C ATOM 0 H ILE A 16 -16.507 -6.983 -12.827 1.00 42.14 H new ATOM 0 HA ILE A 16 -15.027 -6.476 -15.371 1.00 35.45 H new ATOM 0 HB ILE A 16 -14.661 -4.784 -13.527 1.00 75.40 H new ATOM 0 HG12 ILE A 16 -12.203 -6.469 -14.160 1.00 71.11 H new ATOM 0 HG13 ILE A 16 -12.952 -5.368 -15.299 1.00 71.11 H new ATOM 0 HG21 ILE A 16 -13.327 -5.449 -11.536 1.00 1.31 H new ATOM 0 HG22 ILE A 16 -14.932 -6.218 -11.556 1.00 1.31 H new ATOM 0 HG23 ILE A 16 -13.490 -7.157 -12.010 1.00 1.31 H new ATOM 0 HD11 ILE A 16 -10.996 -4.348 -14.252 1.00 54.53 H new ATOM 0 HD12 ILE A 16 -12.475 -3.468 -13.798 1.00 54.53 H new ATOM 0 HD13 ILE A 16 -11.714 -4.586 -12.641 1.00 54.53 H new ATOM 246 N GLU A 17 -13.565 -8.591 -15.040 1.00 21.32 N ATOM 247 CA GLU A 17 -13.017 -9.965 -15.070 1.00 1.40 C ATOM 248 C GLU A 17 -12.450 -10.356 -13.692 1.00 21.34 C ATOM 249 O GLU A 17 -11.792 -9.529 -13.036 1.00 64.42 O ATOM 250 CB GLU A 17 -11.909 -10.091 -16.151 1.00 1.55 C ATOM 251 CG GLU A 17 -12.349 -9.691 -17.576 1.00 20.34 C ATOM 252 CD GLU A 17 -11.218 -9.792 -18.619 1.00 20.42 C ATOM 253 OE1 GLU A 17 -11.194 -10.769 -19.399 1.00 62.34 O ATOM 254 OE2 GLU A 17 -10.356 -8.881 -18.678 1.00 12.13 O ATOM 0 H GLU A 17 -13.125 -7.958 -15.708 1.00 21.32 H new ATOM 0 HA GLU A 17 -13.831 -10.645 -15.320 1.00 1.40 H new ATOM 0 HB2 GLU A 17 -11.063 -9.469 -15.859 1.00 1.55 H new ATOM 0 HB3 GLU A 17 -11.555 -11.122 -16.171 1.00 1.55 H new ATOM 0 HG2 GLU A 17 -13.176 -10.330 -17.885 1.00 20.34 H new ATOM 0 HG3 GLU A 17 -12.726 -8.668 -17.558 1.00 20.34 H new ATOM 261 N LYS A 18 -12.704 -11.617 -13.282 1.00 3.34 N ATOM 262 CA LYS A 18 -12.265 -12.154 -11.978 1.00 73.33 C ATOM 263 C LYS A 18 -10.736 -12.071 -11.842 1.00 44.13 C ATOM 264 O LYS A 18 -10.223 -11.858 -10.748 1.00 31.34 O ATOM 265 CB LYS A 18 -12.751 -13.621 -11.778 1.00 63.05 C ATOM 266 CG LYS A 18 -12.454 -14.205 -10.367 1.00 61.03 C ATOM 267 CD LYS A 18 -13.015 -15.633 -10.161 1.00 42.20 C ATOM 268 CE LYS A 18 -12.368 -16.688 -11.076 1.00 74.30 C ATOM 269 NZ LYS A 18 -10.929 -16.884 -10.794 1.00 5.55 N ATOM 0 H LYS A 18 -13.220 -12.291 -13.847 1.00 3.34 H new ATOM 0 HA LYS A 18 -12.716 -11.541 -11.198 1.00 73.33 H new ATOM 0 HB2 LYS A 18 -13.825 -13.664 -11.958 1.00 63.05 H new ATOM 0 HB3 LYS A 18 -12.277 -14.254 -12.528 1.00 63.05 H new ATOM 0 HG2 LYS A 18 -11.376 -14.220 -10.208 1.00 61.03 H new ATOM 0 HG3 LYS A 18 -12.878 -13.544 -9.612 1.00 61.03 H new ATOM 0 HD2 LYS A 18 -12.867 -15.926 -9.122 1.00 42.20 H new ATOM 0 HD3 LYS A 18 -14.090 -15.621 -10.339 1.00 42.20 H new ATOM 0 HE2 LYS A 18 -12.890 -17.637 -10.955 1.00 74.30 H new ATOM 0 HE3 LYS A 18 -12.492 -16.386 -12.116 1.00 74.30 H new ATOM 0 HZ1 LYS A 18 -10.556 -17.640 -11.403 1.00 5.55 H new ATOM 0 HZ2 LYS A 18 -10.415 -16.000 -10.984 1.00 5.55 H new ATOM 0 HZ3 LYS A 18 -10.804 -17.150 -9.796 1.00 5.55 H new ATOM 283 N GLU A 19 -10.036 -12.202 -12.987 1.00 71.21 N ATOM 284 CA GLU A 19 -8.561 -12.108 -13.064 1.00 12.31 C ATOM 285 C GLU A 19 -8.050 -10.735 -12.583 1.00 42.42 C ATOM 286 O GLU A 19 -7.042 -10.650 -11.871 1.00 31.24 O ATOM 287 CB GLU A 19 -8.087 -12.355 -14.513 1.00 72.33 C ATOM 288 CG GLU A 19 -8.582 -13.667 -15.144 1.00 2.54 C ATOM 289 CD GLU A 19 -8.005 -13.904 -16.549 1.00 22.05 C ATOM 290 OE1 GLU A 19 -7.304 -14.916 -16.762 1.00 63.22 O ATOM 291 OE2 GLU A 19 -8.241 -13.066 -17.448 1.00 22.53 O ATOM 0 H GLU A 19 -10.478 -12.377 -13.889 1.00 71.21 H new ATOM 0 HA GLU A 19 -8.150 -12.873 -12.405 1.00 12.31 H new ATOM 0 HB2 GLU A 19 -8.418 -11.523 -15.134 1.00 72.33 H new ATOM 0 HB3 GLU A 19 -6.997 -12.350 -14.529 1.00 72.33 H new ATOM 0 HG2 GLU A 19 -8.309 -14.502 -14.498 1.00 2.54 H new ATOM 0 HG3 GLU A 19 -9.670 -13.650 -15.201 1.00 2.54 H new ATOM 298 N ILE A 20 -8.778 -9.678 -12.974 1.00 21.15 N ATOM 299 CA ILE A 20 -8.440 -8.284 -12.632 1.00 63.34 C ATOM 300 C ILE A 20 -8.815 -7.996 -11.165 1.00 40.23 C ATOM 301 O ILE A 20 -8.133 -7.239 -10.469 1.00 54.45 O ATOM 302 CB ILE A 20 -9.175 -7.272 -13.585 1.00 50.05 C ATOM 303 CG1 ILE A 20 -9.018 -7.706 -15.077 1.00 42.35 C ATOM 304 CG2 ILE A 20 -8.644 -5.830 -13.370 1.00 44.31 C ATOM 305 CD1 ILE A 20 -9.783 -6.860 -16.075 1.00 31.41 C ATOM 0 H ILE A 20 -9.623 -9.765 -13.539 1.00 21.15 H new ATOM 0 HA ILE A 20 -7.366 -8.153 -12.762 1.00 63.34 H new ATOM 0 HB ILE A 20 -10.237 -7.281 -13.339 1.00 50.05 H new ATOM 0 HG12 ILE A 20 -7.960 -7.680 -15.338 1.00 42.35 H new ATOM 0 HG13 ILE A 20 -9.345 -8.741 -15.175 1.00 42.35 H new ATOM 0 HG21 ILE A 20 -9.166 -5.146 -14.039 1.00 44.31 H new ATOM 0 HG22 ILE A 20 -8.817 -5.529 -12.337 1.00 44.31 H new ATOM 0 HG23 ILE A 20 -7.575 -5.800 -13.583 1.00 44.31 H new ATOM 0 HD11 ILE A 20 -9.610 -7.240 -17.082 1.00 31.41 H new ATOM 0 HD12 ILE A 20 -10.848 -6.904 -15.848 1.00 31.41 H new ATOM 0 HD13 ILE A 20 -9.441 -5.827 -16.014 1.00 31.41 H new ATOM 317 N ALA A 21 -9.912 -8.617 -10.713 1.00 4.30 N ATOM 318 CA ALA A 21 -10.350 -8.559 -9.309 1.00 43.24 C ATOM 319 C ALA A 21 -9.367 -9.307 -8.379 1.00 10.51 C ATOM 320 O ALA A 21 -9.232 -8.967 -7.208 1.00 40.34 O ATOM 321 CB ALA A 21 -11.770 -9.124 -9.184 1.00 35.11 C ATOM 0 H ALA A 21 -10.523 -9.175 -11.310 1.00 4.30 H new ATOM 0 HA ALA A 21 -10.359 -7.516 -8.992 1.00 43.24 H new ATOM 0 HB1 ALA A 21 -12.089 -9.079 -8.143 1.00 35.11 H new ATOM 0 HB2 ALA A 21 -12.451 -8.535 -9.798 1.00 35.11 H new ATOM 0 HB3 ALA A 21 -11.780 -10.160 -9.522 1.00 35.11 H new ATOM 327 N CYS A 22 -8.692 -10.332 -8.925 1.00 5.51 N ATOM 328 CA CYS A 22 -7.647 -11.089 -8.209 1.00 0.21 C ATOM 329 C CYS A 22 -6.329 -10.289 -8.123 1.00 4.54 C ATOM 330 O CYS A 22 -5.503 -10.546 -7.238 1.00 13.13 O ATOM 331 CB CYS A 22 -7.435 -12.455 -8.878 1.00 22.32 C ATOM 332 SG CYS A 22 -8.899 -13.508 -8.821 1.00 63.13 S ATOM 0 H CYS A 22 -8.854 -10.661 -9.877 1.00 5.51 H new ATOM 0 HA CYS A 22 -7.982 -11.256 -7.185 1.00 0.21 H new ATOM 0 HB2 CYS A 22 -7.145 -12.302 -9.918 1.00 22.32 H new ATOM 0 HB3 CYS A 22 -6.607 -12.968 -8.388 1.00 22.32 H new ATOM 0 HG CYS A 22 -9.777 -13.078 -9.678 1.00 63.13 H new ATOM 338 N MET A 23 -6.136 -9.322 -9.057 1.00 12.32 N ATOM 339 CA MET A 23 -5.008 -8.348 -8.994 1.00 64.54 C ATOM 340 C MET A 23 -5.119 -7.474 -7.719 1.00 32.44 C ATOM 341 O MET A 23 -4.117 -6.939 -7.228 1.00 52.33 O ATOM 342 CB MET A 23 -4.964 -7.459 -10.273 1.00 2.13 C ATOM 343 CG MET A 23 -4.686 -8.221 -11.583 1.00 64.22 C ATOM 344 SD MET A 23 -4.800 -7.172 -13.061 1.00 4.31 S ATOM 345 CE MET A 23 -3.514 -5.950 -12.776 1.00 5.12 C ATOM 0 H MET A 23 -6.746 -9.194 -9.864 1.00 12.32 H new ATOM 0 HA MET A 23 -4.075 -8.910 -8.947 1.00 64.54 H new ATOM 0 HB2 MET A 23 -5.916 -6.937 -10.368 1.00 2.13 H new ATOM 0 HB3 MET A 23 -4.195 -6.698 -10.142 1.00 2.13 H new ATOM 0 HG2 MET A 23 -3.690 -8.662 -11.535 1.00 64.22 H new ATOM 0 HG3 MET A 23 -5.395 -9.044 -11.674 1.00 64.22 H new ATOM 0 HE1 MET A 23 -3.351 -5.374 -13.687 1.00 5.12 H new ATOM 0 HE2 MET A 23 -3.821 -5.280 -11.973 1.00 5.12 H new ATOM 0 HE3 MET A 23 -2.589 -6.454 -12.495 1.00 5.12 H new ATOM 355 N SER A 24 -6.357 -7.329 -7.212 1.00 1.54 N ATOM 356 CA SER A 24 -6.609 -6.886 -5.841 1.00 75.20 C ATOM 357 C SER A 24 -6.340 -8.067 -4.896 1.00 61.13 C ATOM 358 O SER A 24 -7.046 -9.076 -4.967 1.00 71.41 O ATOM 359 CB SER A 24 -8.074 -6.421 -5.666 1.00 12.33 C ATOM 360 OG SER A 24 -8.398 -5.356 -6.523 1.00 73.31 O ATOM 0 H SER A 24 -7.206 -7.517 -7.746 1.00 1.54 H new ATOM 0 HA SER A 24 -5.955 -6.045 -5.613 1.00 75.20 H new ATOM 0 HB2 SER A 24 -8.745 -7.258 -5.860 1.00 12.33 H new ATOM 0 HB3 SER A 24 -8.236 -6.116 -4.632 1.00 12.33 H new ATOM 0 HG SER A 24 -9.332 -5.095 -6.381 1.00 73.31 H new ATOM 366 N VAL A 25 -5.324 -7.937 -4.031 1.00 25.41 N ATOM 367 CA VAL A 25 -4.974 -8.965 -3.031 1.00 10.42 C ATOM 368 C VAL A 25 -6.128 -9.147 -2.018 1.00 64.13 C ATOM 369 O VAL A 25 -6.364 -10.254 -1.547 1.00 51.00 O ATOM 370 CB VAL A 25 -3.618 -8.627 -2.294 1.00 34.14 C ATOM 371 CG1 VAL A 25 -3.263 -9.675 -1.205 1.00 33.10 C ATOM 372 CG2 VAL A 25 -2.457 -8.475 -3.318 1.00 44.11 C ATOM 0 H VAL A 25 -4.719 -7.116 -4.002 1.00 25.41 H new ATOM 0 HA VAL A 25 -4.825 -9.907 -3.559 1.00 10.42 H new ATOM 0 HB VAL A 25 -3.759 -7.674 -1.784 1.00 34.14 H new ATOM 0 HG11 VAL A 25 -2.323 -9.399 -0.727 1.00 33.10 H new ATOM 0 HG12 VAL A 25 -4.055 -9.705 -0.457 1.00 33.10 H new ATOM 0 HG13 VAL A 25 -3.161 -10.658 -1.665 1.00 33.10 H new ATOM 0 HG21 VAL A 25 -1.533 -8.242 -2.789 1.00 44.11 H new ATOM 0 HG22 VAL A 25 -2.334 -9.407 -3.870 1.00 44.11 H new ATOM 0 HG23 VAL A 25 -2.689 -7.669 -4.014 1.00 44.11 H new ATOM 382 N THR A 26 -6.868 -8.058 -1.739 1.00 40.44 N ATOM 383 CA THR A 26 -7.990 -8.074 -0.782 1.00 25.53 C ATOM 384 C THR A 26 -9.165 -8.920 -1.315 1.00 54.11 C ATOM 385 O THR A 26 -9.692 -9.766 -0.592 1.00 42.43 O ATOM 386 CB THR A 26 -8.460 -6.619 -0.468 1.00 50.41 C ATOM 387 OG1 THR A 26 -7.380 -5.895 0.141 1.00 74.44 O ATOM 388 CG2 THR A 26 -9.690 -6.562 0.457 1.00 64.20 C ATOM 0 H THR A 26 -6.706 -7.147 -2.168 1.00 40.44 H new ATOM 0 HA THR A 26 -7.638 -8.534 0.142 1.00 25.53 H new ATOM 0 HB THR A 26 -8.753 -6.169 -1.416 1.00 50.41 H new ATOM 0 HG1 THR A 26 -7.653 -4.966 0.292 1.00 74.44 H new ATOM 0 HG21 THR A 26 -9.964 -5.522 0.635 1.00 64.20 H new ATOM 0 HG22 THR A 26 -10.524 -7.081 -0.015 1.00 64.20 H new ATOM 0 HG23 THR A 26 -9.454 -7.042 1.407 1.00 64.20 H new ATOM 396 N ILE A 27 -9.542 -8.702 -2.591 1.00 43.23 N ATOM 397 CA ILE A 27 -10.663 -9.426 -3.238 1.00 13.22 C ATOM 398 C ILE A 27 -10.233 -10.885 -3.519 1.00 53.13 C ATOM 399 O ILE A 27 -11.049 -11.802 -3.409 1.00 60.32 O ATOM 400 CB ILE A 27 -11.174 -8.699 -4.557 1.00 54.13 C ATOM 401 CG1 ILE A 27 -11.971 -7.380 -4.238 1.00 21.24 C ATOM 402 CG2 ILE A 27 -12.049 -9.631 -5.443 1.00 11.11 C ATOM 403 CD1 ILE A 27 -11.207 -6.293 -3.511 1.00 23.33 C ATOM 0 H ILE A 27 -9.084 -8.025 -3.201 1.00 43.23 H new ATOM 0 HA ILE A 27 -11.511 -9.428 -2.554 1.00 13.22 H new ATOM 0 HB ILE A 27 -10.274 -8.436 -5.113 1.00 54.13 H new ATOM 0 HG12 ILE A 27 -12.341 -6.968 -5.177 1.00 21.24 H new ATOM 0 HG13 ILE A 27 -12.843 -7.644 -3.640 1.00 21.24 H new ATOM 0 HG21 ILE A 27 -12.374 -9.089 -6.331 1.00 11.11 H new ATOM 0 HG22 ILE A 27 -11.465 -10.502 -5.742 1.00 11.11 H new ATOM 0 HG23 ILE A 27 -12.922 -9.956 -4.877 1.00 11.11 H new ATOM 0 HD11 ILE A 27 -11.860 -5.436 -3.348 1.00 23.33 H new ATOM 0 HD12 ILE A 27 -10.860 -6.673 -2.550 1.00 23.33 H new ATOM 0 HD13 ILE A 27 -10.350 -5.987 -4.111 1.00 23.33 H new ATOM 415 N LYS A 28 -8.940 -11.077 -3.856 1.00 71.24 N ATOM 416 CA LYS A 28 -8.324 -12.414 -3.997 1.00 54.24 C ATOM 417 C LYS A 28 -8.502 -13.225 -2.690 1.00 3.22 C ATOM 418 O LYS A 28 -9.022 -14.350 -2.706 1.00 3.43 O ATOM 419 CB LYS A 28 -6.813 -12.270 -4.351 1.00 12.50 C ATOM 420 CG LYS A 28 -6.010 -13.583 -4.301 1.00 33.33 C ATOM 421 CD LYS A 28 -4.521 -13.410 -4.672 1.00 11.43 C ATOM 422 CE LYS A 28 -3.693 -14.670 -4.352 1.00 24.45 C ATOM 423 NZ LYS A 28 -4.306 -15.910 -4.907 1.00 23.33 N ATOM 0 H LYS A 28 -8.293 -10.309 -4.038 1.00 71.24 H new ATOM 0 HA LYS A 28 -8.821 -12.950 -4.805 1.00 54.24 H new ATOM 0 HB2 LYS A 28 -6.728 -11.846 -5.352 1.00 12.50 H new ATOM 0 HB3 LYS A 28 -6.359 -11.557 -3.663 1.00 12.50 H new ATOM 0 HG2 LYS A 28 -6.080 -14.004 -3.298 1.00 33.33 H new ATOM 0 HG3 LYS A 28 -6.464 -14.303 -4.981 1.00 33.33 H new ATOM 0 HD2 LYS A 28 -4.437 -13.182 -5.735 1.00 11.43 H new ATOM 0 HD3 LYS A 28 -4.109 -12.559 -4.130 1.00 11.43 H new ATOM 0 HE2 LYS A 28 -2.688 -14.553 -4.756 1.00 24.45 H new ATOM 0 HE3 LYS A 28 -3.592 -14.770 -3.271 1.00 24.45 H new ATOM 0 HZ1 LYS A 28 -3.561 -16.519 -5.301 1.00 23.33 H new ATOM 0 HZ2 LYS A 28 -4.805 -16.419 -4.150 1.00 23.33 H new ATOM 0 HZ3 LYS A 28 -4.980 -15.658 -5.658 1.00 23.33 H new ATOM 437 N ASN A 29 -8.109 -12.592 -1.563 1.00 33.24 N ATOM 438 CA ASN A 29 -8.225 -13.173 -0.208 1.00 54.10 C ATOM 439 C ASN A 29 -9.692 -13.448 0.150 1.00 51.10 C ATOM 440 O ASN A 29 -9.984 -14.469 0.759 1.00 74.34 O ATOM 441 CB ASN A 29 -7.584 -12.237 0.867 1.00 1.21 C ATOM 442 CG ASN A 29 -6.046 -12.244 0.877 1.00 51.42 C ATOM 443 OD1 ASN A 29 -5.398 -12.502 -0.136 1.00 42.22 O ATOM 444 ND2 ASN A 29 -5.454 -11.952 2.029 1.00 1.21 N ATOM 0 H ASN A 29 -7.700 -11.658 -1.568 1.00 33.24 H new ATOM 0 HA ASN A 29 -7.682 -14.118 -0.214 1.00 54.10 H new ATOM 0 HB2 ASN A 29 -7.930 -11.217 0.697 1.00 1.21 H new ATOM 0 HB3 ASN A 29 -7.943 -12.535 1.852 1.00 1.21 H new ATOM 0 HD21 ASN A 29 -4.436 -11.938 2.090 1.00 1.21 H new ATOM 0 HD22 ASN A 29 -6.017 -11.742 2.853 1.00 1.21 H new ATOM 451 N MET A 30 -10.603 -12.525 -0.241 1.00 42.31 N ATOM 452 CA MET A 30 -12.055 -12.662 0.019 1.00 35.40 C ATOM 453 C MET A 30 -12.602 -13.935 -0.649 1.00 10.03 C ATOM 454 O MET A 30 -13.137 -14.810 0.032 1.00 23.42 O ATOM 455 CB MET A 30 -12.856 -11.416 -0.477 1.00 51.22 C ATOM 456 CG MET A 30 -12.716 -10.162 0.395 1.00 10.20 C ATOM 457 SD MET A 30 -13.687 -8.782 -0.253 1.00 21.24 S ATOM 458 CE MET A 30 -13.428 -7.526 1.001 1.00 54.12 C ATOM 0 H MET A 30 -10.354 -11.672 -0.741 1.00 42.31 H new ATOM 0 HA MET A 30 -12.185 -12.735 1.099 1.00 35.40 H new ATOM 0 HB2 MET A 30 -12.531 -11.174 -1.489 1.00 51.22 H new ATOM 0 HB3 MET A 30 -13.911 -11.682 -0.536 1.00 51.22 H new ATOM 0 HG2 MET A 30 -13.039 -10.388 1.411 1.00 10.20 H new ATOM 0 HG3 MET A 30 -11.666 -9.873 0.451 1.00 10.20 H new ATOM 0 HE1 MET A 30 -13.670 -6.546 0.590 1.00 54.12 H new ATOM 0 HE2 MET A 30 -14.071 -7.729 1.858 1.00 54.12 H new ATOM 0 HE3 MET A 30 -12.385 -7.539 1.319 1.00 54.12 H new ATOM 468 N ILE A 31 -12.383 -14.044 -1.975 1.00 2.02 N ATOM 469 CA ILE A 31 -12.909 -15.151 -2.801 1.00 63.34 C ATOM 470 C ILE A 31 -12.417 -16.510 -2.261 1.00 34.32 C ATOM 471 O ILE A 31 -13.222 -17.409 -2.033 1.00 53.45 O ATOM 472 CB ILE A 31 -12.506 -14.980 -4.326 1.00 41.33 C ATOM 473 CG1 ILE A 31 -13.130 -13.671 -4.922 1.00 73.31 C ATOM 474 CG2 ILE A 31 -12.912 -16.218 -5.173 1.00 14.45 C ATOM 475 CD1 ILE A 31 -12.742 -13.371 -6.364 1.00 13.41 C ATOM 0 H ILE A 31 -11.835 -13.366 -2.505 1.00 2.02 H new ATOM 0 HA ILE A 31 -13.997 -15.123 -2.740 1.00 63.34 H new ATOM 0 HB ILE A 31 -11.420 -14.897 -4.369 1.00 41.33 H new ATOM 0 HG12 ILE A 31 -14.216 -13.744 -4.862 1.00 73.31 H new ATOM 0 HG13 ILE A 31 -12.832 -12.828 -4.299 1.00 73.31 H new ATOM 0 HG21 ILE A 31 -12.618 -16.061 -6.211 1.00 14.45 H new ATOM 0 HG22 ILE A 31 -12.411 -17.105 -4.785 1.00 14.45 H new ATOM 0 HG23 ILE A 31 -13.992 -16.358 -5.118 1.00 14.45 H new ATOM 0 HD11 ILE A 31 -13.223 -12.447 -6.685 1.00 13.41 H new ATOM 0 HD12 ILE A 31 -11.660 -13.260 -6.434 1.00 13.41 H new ATOM 0 HD13 ILE A 31 -13.065 -14.191 -7.006 1.00 13.41 H new ATOM 487 N GLU A 32 -11.105 -16.612 -2.000 1.00 65.22 N ATOM 488 CA GLU A 32 -10.474 -17.873 -1.551 1.00 62.33 C ATOM 489 C GLU A 32 -10.885 -18.244 -0.105 1.00 63.21 C ATOM 490 O GLU A 32 -11.073 -19.429 0.204 1.00 44.41 O ATOM 491 CB GLU A 32 -8.932 -17.777 -1.680 1.00 74.13 C ATOM 492 CG GLU A 32 -8.433 -17.495 -3.116 1.00 20.22 C ATOM 493 CD GLU A 32 -6.901 -17.372 -3.213 1.00 1.12 C ATOM 494 OE1 GLU A 32 -6.252 -18.219 -3.874 1.00 32.45 O ATOM 495 OE2 GLU A 32 -6.331 -16.439 -2.614 1.00 62.22 O ATOM 0 H GLU A 32 -10.452 -15.833 -2.092 1.00 65.22 H new ATOM 0 HA GLU A 32 -10.833 -18.672 -2.200 1.00 62.33 H new ATOM 0 HB2 GLU A 32 -8.572 -16.987 -1.021 1.00 74.13 H new ATOM 0 HB3 GLU A 32 -8.490 -18.710 -1.331 1.00 74.13 H new ATOM 0 HG2 GLU A 32 -8.769 -18.296 -3.774 1.00 20.22 H new ATOM 0 HG3 GLU A 32 -8.889 -16.573 -3.478 1.00 20.22 H new ATOM 502 N ASP A 33 -11.044 -17.220 0.764 1.00 54.43 N ATOM 503 CA ASP A 33 -11.439 -17.404 2.190 1.00 31.31 C ATOM 504 C ASP A 33 -12.881 -17.919 2.299 1.00 11.20 C ATOM 505 O ASP A 33 -13.195 -18.744 3.162 1.00 71.50 O ATOM 506 CB ASP A 33 -11.287 -16.073 2.974 1.00 34.33 C ATOM 507 CG ASP A 33 -11.659 -16.180 4.467 1.00 52.23 C ATOM 508 OD1 ASP A 33 -10.866 -16.767 5.245 1.00 4.31 O ATOM 509 OD2 ASP A 33 -12.746 -15.689 4.865 1.00 44.41 O ATOM 0 H ASP A 33 -10.904 -16.244 0.503 1.00 54.43 H new ATOM 0 HA ASP A 33 -10.774 -18.148 2.628 1.00 31.31 H new ATOM 0 HB2 ASP A 33 -10.256 -15.729 2.890 1.00 34.33 H new ATOM 0 HB3 ASP A 33 -11.915 -15.314 2.507 1.00 34.33 H new ATOM 514 N ILE A 34 -13.749 -17.414 1.412 1.00 35.10 N ATOM 515 CA ILE A 34 -15.148 -17.867 1.313 1.00 62.13 C ATOM 516 C ILE A 34 -15.188 -19.272 0.672 1.00 2.11 C ATOM 517 O ILE A 34 -15.939 -20.151 1.111 1.00 0.52 O ATOM 518 CB ILE A 34 -16.033 -16.851 0.481 1.00 2.25 C ATOM 519 CG1 ILE A 34 -15.961 -15.407 1.083 1.00 13.34 C ATOM 520 CG2 ILE A 34 -17.503 -17.319 0.384 1.00 71.13 C ATOM 521 CD1 ILE A 34 -16.371 -15.276 2.540 1.00 4.15 C ATOM 0 H ILE A 34 -13.505 -16.683 0.744 1.00 35.10 H new ATOM 0 HA ILE A 34 -15.568 -17.912 2.318 1.00 62.13 H new ATOM 0 HB ILE A 34 -15.621 -16.824 -0.528 1.00 2.25 H new ATOM 0 HG12 ILE A 34 -14.940 -15.041 0.978 1.00 13.34 H new ATOM 0 HG13 ILE A 34 -16.597 -14.753 0.486 1.00 13.34 H new ATOM 0 HG21 ILE A 34 -18.078 -16.596 -0.194 1.00 71.13 H new ATOM 0 HG22 ILE A 34 -17.544 -18.291 -0.108 1.00 71.13 H new ATOM 0 HG23 ILE A 34 -17.926 -17.401 1.385 1.00 71.13 H new ATOM 0 HD11 ILE A 34 -16.282 -14.235 2.851 1.00 4.15 H new ATOM 0 HD12 ILE A 34 -17.404 -15.603 2.658 1.00 4.15 H new ATOM 0 HD13 ILE A 34 -15.721 -15.896 3.158 1.00 4.15 H new ATOM 533 N GLY A 35 -14.322 -19.478 -0.340 1.00 53.52 N ATOM 534 CA GLY A 35 -14.246 -20.739 -1.094 1.00 15.34 C ATOM 535 C GLY A 35 -14.885 -20.637 -2.481 1.00 21.32 C ATOM 536 O GLY A 35 -15.286 -21.660 -3.054 1.00 31.15 O ATOM 0 H GLY A 35 -13.656 -18.773 -0.656 1.00 53.52 H new ATOM 0 HA2 GLY A 35 -13.201 -21.032 -1.200 1.00 15.34 H new ATOM 0 HA3 GLY A 35 -14.742 -21.527 -0.527 1.00 15.34 H new ATOM 540 N GLU A 36 -14.962 -19.381 -2.995 1.00 33.44 N ATOM 541 CA GLU A 36 -15.548 -19.009 -4.302 1.00 62.31 C ATOM 542 C GLU A 36 -17.084 -19.124 -4.262 1.00 23.04 C ATOM 543 O GLU A 36 -17.627 -20.168 -3.891 1.00 54.45 O ATOM 544 CB GLU A 36 -14.942 -19.831 -5.475 1.00 34.33 C ATOM 545 CG GLU A 36 -15.421 -19.413 -6.882 1.00 74.15 C ATOM 546 CD GLU A 36 -14.860 -20.322 -7.994 1.00 53.13 C ATOM 547 OE1 GLU A 36 -15.625 -21.138 -8.567 1.00 32.13 O ATOM 548 OE2 GLU A 36 -13.645 -20.236 -8.285 1.00 11.44 O ATOM 0 H GLU A 36 -14.603 -18.572 -2.488 1.00 33.44 H new ATOM 0 HA GLU A 36 -15.290 -17.967 -4.491 1.00 62.31 H new ATOM 0 HB2 GLU A 36 -13.856 -19.744 -5.437 1.00 34.33 H new ATOM 0 HB3 GLU A 36 -15.183 -20.883 -5.324 1.00 34.33 H new ATOM 0 HG2 GLU A 36 -16.510 -19.437 -6.913 1.00 74.15 H new ATOM 0 HG3 GLU A 36 -15.120 -18.383 -7.073 1.00 74.15 H new ATOM 555 N SER A 37 -17.782 -18.040 -4.634 1.00 21.52 N ATOM 556 CA SER A 37 -19.247 -17.965 -4.550 1.00 41.51 C ATOM 557 C SER A 37 -19.833 -17.168 -5.719 1.00 71.45 C ATOM 558 O SER A 37 -19.149 -16.368 -6.367 1.00 71.20 O ATOM 559 CB SER A 37 -19.665 -17.328 -3.206 1.00 31.42 C ATOM 560 OG SER A 37 -19.273 -18.140 -2.110 1.00 35.52 O ATOM 0 H SER A 37 -17.347 -17.193 -5.001 1.00 21.52 H new ATOM 0 HA SER A 37 -19.642 -18.979 -4.607 1.00 41.51 H new ATOM 0 HB2 SER A 37 -19.212 -16.341 -3.112 1.00 31.42 H new ATOM 0 HB3 SER A 37 -20.745 -17.185 -3.188 1.00 31.42 H new ATOM 0 HG SER A 37 -19.683 -17.800 -1.288 1.00 35.52 H new ATOM 566 N ASP A 38 -21.123 -17.416 -5.956 1.00 2.31 N ATOM 567 CA ASP A 38 -21.936 -16.700 -6.957 1.00 73.13 C ATOM 568 C ASP A 38 -22.339 -15.307 -6.440 1.00 72.23 C ATOM 569 O ASP A 38 -22.832 -14.477 -7.207 1.00 35.21 O ATOM 570 CB ASP A 38 -23.192 -17.540 -7.300 1.00 41.24 C ATOM 571 CG ASP A 38 -22.847 -18.914 -7.909 1.00 70.11 C ATOM 572 OD1 ASP A 38 -22.402 -19.812 -7.161 1.00 44.15 O ATOM 573 OD2 ASP A 38 -23.008 -19.105 -9.136 1.00 22.22 O ATOM 0 H ASP A 38 -21.646 -18.132 -5.452 1.00 2.31 H new ATOM 0 HA ASP A 38 -21.342 -16.560 -7.860 1.00 73.13 H new ATOM 0 HB2 ASP A 38 -23.783 -17.687 -6.396 1.00 41.24 H new ATOM 0 HB3 ASP A 38 -23.815 -16.984 -8.001 1.00 41.24 H new ATOM 578 N SER A 39 -22.136 -15.090 -5.133 1.00 51.33 N ATOM 579 CA SER A 39 -22.355 -13.806 -4.474 1.00 71.42 C ATOM 580 C SER A 39 -21.395 -12.728 -5.036 1.00 25.13 C ATOM 581 O SER A 39 -20.187 -12.993 -5.190 1.00 74.24 O ATOM 582 CB SER A 39 -22.139 -13.974 -2.956 1.00 62.53 C ATOM 583 OG SER A 39 -22.974 -15.000 -2.436 1.00 73.22 O ATOM 0 H SER A 39 -21.809 -15.818 -4.498 1.00 51.33 H new ATOM 0 HA SER A 39 -23.377 -13.477 -4.665 1.00 71.42 H new ATOM 0 HB2 SER A 39 -21.094 -14.214 -2.758 1.00 62.53 H new ATOM 0 HB3 SER A 39 -22.352 -13.034 -2.448 1.00 62.53 H new ATOM 0 HG SER A 39 -22.819 -15.091 -1.473 1.00 73.22 H new ATOM 589 N PRO A 40 -21.923 -11.513 -5.398 1.00 11.14 N ATOM 590 CA PRO A 40 -21.078 -10.353 -5.764 1.00 74.11 C ATOM 591 C PRO A 40 -20.304 -9.808 -4.544 1.00 30.21 C ATOM 592 O PRO A 40 -20.672 -10.090 -3.391 1.00 2.21 O ATOM 593 CB PRO A 40 -22.098 -9.326 -6.311 1.00 31.15 C ATOM 594 CG PRO A 40 -23.407 -9.690 -5.675 1.00 24.31 C ATOM 595 CD PRO A 40 -23.379 -11.189 -5.497 1.00 21.40 C ATOM 0 HA PRO A 40 -20.304 -10.601 -6.490 1.00 74.11 H new ATOM 0 HB2 PRO A 40 -21.806 -8.307 -6.055 1.00 31.15 H new ATOM 0 HB3 PRO A 40 -22.162 -9.376 -7.398 1.00 31.15 H new ATOM 0 HG2 PRO A 40 -23.529 -9.185 -4.717 1.00 24.31 H new ATOM 0 HG3 PRO A 40 -24.244 -9.387 -6.304 1.00 24.31 H new ATOM 0 HD2 PRO A 40 -23.918 -11.495 -4.600 1.00 21.40 H new ATOM 0 HD3 PRO A 40 -23.846 -11.700 -6.339 1.00 21.40 H new ATOM 603 N ILE A 41 -19.224 -9.052 -4.799 1.00 70.33 N ATOM 604 CA ILE A 41 -18.377 -8.474 -3.742 1.00 44.44 C ATOM 605 C ILE A 41 -18.621 -6.947 -3.682 1.00 64.25 C ATOM 606 O ILE A 41 -18.049 -6.195 -4.485 1.00 42.33 O ATOM 607 CB ILE A 41 -16.846 -8.794 -3.981 1.00 73.51 C ATOM 608 CG1 ILE A 41 -16.592 -10.339 -4.094 1.00 73.05 C ATOM 609 CG2 ILE A 41 -15.950 -8.168 -2.881 1.00 30.13 C ATOM 610 CD1 ILE A 41 -16.955 -11.154 -2.852 1.00 41.22 C ATOM 0 H ILE A 41 -18.913 -8.824 -5.743 1.00 70.33 H new ATOM 0 HA ILE A 41 -18.647 -8.925 -2.787 1.00 44.44 H new ATOM 0 HB ILE A 41 -16.571 -8.338 -4.932 1.00 73.51 H new ATOM 0 HG12 ILE A 41 -17.162 -10.723 -4.940 1.00 73.05 H new ATOM 0 HG13 ILE A 41 -15.538 -10.502 -4.320 1.00 73.05 H new ATOM 0 HG21 ILE A 41 -14.906 -8.410 -3.081 1.00 30.13 H new ATOM 0 HG22 ILE A 41 -16.078 -7.085 -2.880 1.00 30.13 H new ATOM 0 HG23 ILE A 41 -16.236 -8.568 -1.908 1.00 30.13 H new ATOM 0 HD11 ILE A 41 -16.742 -12.208 -3.033 1.00 41.22 H new ATOM 0 HD12 ILE A 41 -16.366 -10.806 -2.003 1.00 41.22 H new ATOM 0 HD13 ILE A 41 -18.016 -11.031 -2.633 1.00 41.22 H new ATOM 622 N PRO A 42 -19.521 -6.464 -2.767 1.00 10.24 N ATOM 623 CA PRO A 42 -19.739 -5.023 -2.574 1.00 63.51 C ATOM 624 C PRO A 42 -18.619 -4.397 -1.710 1.00 72.02 C ATOM 625 O PRO A 42 -18.241 -4.936 -0.656 1.00 1.31 O ATOM 626 CB PRO A 42 -21.117 -4.968 -1.880 1.00 62.42 C ATOM 627 CG PRO A 42 -21.200 -6.241 -1.091 1.00 0.22 C ATOM 628 CD PRO A 42 -20.398 -7.275 -1.865 1.00 14.21 C ATOM 0 HA PRO A 42 -19.718 -4.452 -3.502 1.00 63.51 H new ATOM 0 HB2 PRO A 42 -21.199 -4.095 -1.232 1.00 62.42 H new ATOM 0 HB3 PRO A 42 -21.925 -4.901 -2.609 1.00 62.42 H new ATOM 0 HG2 PRO A 42 -20.794 -6.105 -0.089 1.00 0.22 H new ATOM 0 HG3 PRO A 42 -22.236 -6.560 -0.975 1.00 0.22 H new ATOM 0 HD2 PRO A 42 -19.809 -7.903 -1.197 1.00 14.21 H new ATOM 0 HD3 PRO A 42 -21.049 -7.938 -2.434 1.00 14.21 H new ATOM 636 N LEU A 43 -18.071 -3.283 -2.201 1.00 54.35 N ATOM 637 CA LEU A 43 -16.996 -2.523 -1.556 1.00 10.52 C ATOM 638 C LEU A 43 -17.581 -1.188 -1.020 1.00 24.44 C ATOM 639 O LEU A 43 -17.586 -0.175 -1.734 1.00 51.34 O ATOM 640 CB LEU A 43 -15.867 -2.302 -2.604 1.00 42.43 C ATOM 641 CG LEU A 43 -15.298 -3.610 -3.255 1.00 53.42 C ATOM 642 CD1 LEU A 43 -14.376 -3.296 -4.453 1.00 44.50 C ATOM 643 CD2 LEU A 43 -14.593 -4.500 -2.202 1.00 32.41 C ATOM 0 H LEU A 43 -18.372 -2.872 -3.085 1.00 54.35 H new ATOM 0 HA LEU A 43 -16.571 -3.057 -0.706 1.00 10.52 H new ATOM 0 HB2 LEU A 43 -16.249 -1.657 -3.396 1.00 42.43 H new ATOM 0 HB3 LEU A 43 -15.047 -1.767 -2.125 1.00 42.43 H new ATOM 0 HG LEU A 43 -16.143 -4.177 -3.646 1.00 53.42 H new ATOM 0 HD11 LEU A 43 -14.001 -4.227 -4.878 1.00 44.50 H new ATOM 0 HD12 LEU A 43 -14.938 -2.752 -5.212 1.00 44.50 H new ATOM 0 HD13 LEU A 43 -13.537 -2.687 -4.117 1.00 44.50 H new ATOM 0 HD21 LEU A 43 -14.209 -5.399 -2.684 1.00 32.41 H new ATOM 0 HD22 LEU A 43 -13.767 -3.948 -1.753 1.00 32.41 H new ATOM 0 HD23 LEU A 43 -15.306 -4.780 -1.426 1.00 32.41 H new ATOM 655 N PRO A 44 -18.126 -1.173 0.249 1.00 61.11 N ATOM 656 CA PRO A 44 -18.871 -0.008 0.801 1.00 53.42 C ATOM 657 C PRO A 44 -17.952 1.135 1.300 1.00 74.32 C ATOM 658 O PRO A 44 -18.439 2.203 1.684 1.00 45.11 O ATOM 659 CB PRO A 44 -19.672 -0.647 1.958 1.00 22.33 C ATOM 660 CG PRO A 44 -18.785 -1.742 2.466 1.00 43.34 C ATOM 661 CD PRO A 44 -18.063 -2.289 1.247 1.00 52.23 C ATOM 0 HA PRO A 44 -19.489 0.484 0.049 1.00 53.42 H new ATOM 0 HB2 PRO A 44 -19.891 0.081 2.739 1.00 22.33 H new ATOM 0 HB3 PRO A 44 -20.628 -1.039 1.610 1.00 22.33 H new ATOM 0 HG2 PRO A 44 -18.077 -1.362 3.202 1.00 43.34 H new ATOM 0 HG3 PRO A 44 -19.368 -2.521 2.957 1.00 43.34 H new ATOM 0 HD2 PRO A 44 -17.032 -2.556 1.481 1.00 52.23 H new ATOM 0 HD3 PRO A 44 -18.547 -3.189 0.868 1.00 52.23 H new ATOM 669 N ASN A 45 -16.633 0.888 1.290 1.00 35.51 N ATOM 670 CA ASN A 45 -15.618 1.873 1.720 1.00 10.42 C ATOM 671 C ASN A 45 -15.314 2.869 0.583 1.00 64.35 C ATOM 672 O ASN A 45 -15.188 4.075 0.814 1.00 74.20 O ATOM 673 CB ASN A 45 -14.325 1.128 2.153 1.00 31.14 C ATOM 674 CG ASN A 45 -13.155 2.055 2.541 1.00 71.20 C ATOM 675 OD1 ASN A 45 -12.335 2.428 1.702 1.00 51.35 O ATOM 676 ND2 ASN A 45 -13.071 2.419 3.810 1.00 2.13 N ATOM 0 H ASN A 45 -16.236 -0.000 0.984 1.00 35.51 H new ATOM 0 HA ASN A 45 -16.006 2.438 2.568 1.00 10.42 H new ATOM 0 HB2 ASN A 45 -14.558 0.483 3.000 1.00 31.14 H new ATOM 0 HB3 ASN A 45 -14.004 0.479 1.338 1.00 31.14 H new ATOM 0 HD21 ASN A 45 -12.311 3.026 4.117 1.00 2.13 H new ATOM 0 HD22 ASN A 45 -13.766 2.093 4.481 1.00 2.13 H new ATOM 683 N VAL A 46 -15.211 2.341 -0.646 1.00 31.51 N ATOM 684 CA VAL A 46 -14.779 3.116 -1.826 1.00 45.52 C ATOM 685 C VAL A 46 -16.001 3.509 -2.692 1.00 62.14 C ATOM 686 O VAL A 46 -16.902 2.695 -2.911 1.00 43.02 O ATOM 687 CB VAL A 46 -13.719 2.299 -2.661 1.00 4.11 C ATOM 688 CG1 VAL A 46 -14.287 0.949 -3.154 1.00 31.33 C ATOM 689 CG2 VAL A 46 -13.142 3.137 -3.830 1.00 62.50 C ATOM 0 H VAL A 46 -15.424 1.365 -0.853 1.00 31.51 H new ATOM 0 HA VAL A 46 -14.301 4.036 -1.489 1.00 45.52 H new ATOM 0 HB VAL A 46 -12.893 2.070 -1.988 1.00 4.11 H new ATOM 0 HG11 VAL A 46 -13.524 0.420 -3.724 1.00 31.33 H new ATOM 0 HG12 VAL A 46 -14.584 0.345 -2.297 1.00 31.33 H new ATOM 0 HG13 VAL A 46 -15.154 1.129 -3.789 1.00 31.33 H new ATOM 0 HG21 VAL A 46 -12.416 2.540 -4.382 1.00 62.50 H new ATOM 0 HG22 VAL A 46 -13.950 3.434 -4.498 1.00 62.50 H new ATOM 0 HG23 VAL A 46 -12.654 4.027 -3.433 1.00 62.50 H new ATOM 699 N THR A 47 -16.022 4.775 -3.162 1.00 75.33 N ATOM 700 CA THR A 47 -17.100 5.307 -4.020 1.00 51.34 C ATOM 701 C THR A 47 -16.900 4.868 -5.481 1.00 3.01 C ATOM 702 O THR A 47 -15.858 4.305 -5.827 1.00 41.45 O ATOM 703 CB THR A 47 -17.161 6.865 -3.942 1.00 42.32 C ATOM 704 OG1 THR A 47 -15.875 7.404 -4.273 1.00 33.24 O ATOM 705 CG2 THR A 47 -17.577 7.356 -2.539 1.00 43.35 C ATOM 0 H THR A 47 -15.291 5.456 -2.956 1.00 75.33 H new ATOM 0 HA THR A 47 -18.043 4.902 -3.654 1.00 51.34 H new ATOM 0 HB THR A 47 -17.914 7.208 -4.651 1.00 42.32 H new ATOM 0 HG1 THR A 47 -15.988 8.204 -4.828 1.00 33.24 H new ATOM 0 HG21 THR A 47 -17.607 8.446 -2.529 1.00 43.35 H new ATOM 0 HG22 THR A 47 -18.564 6.964 -2.294 1.00 43.35 H new ATOM 0 HG23 THR A 47 -16.854 7.006 -1.802 1.00 43.35 H new ATOM 713 N SER A 48 -17.906 5.149 -6.324 1.00 51.30 N ATOM 714 CA SER A 48 -17.920 4.745 -7.742 1.00 45.04 C ATOM 715 C SER A 48 -16.807 5.427 -8.543 1.00 2.05 C ATOM 716 O SER A 48 -16.079 4.767 -9.279 1.00 64.20 O ATOM 717 CB SER A 48 -19.286 5.084 -8.353 1.00 14.25 C ATOM 718 OG SER A 48 -19.622 6.449 -8.136 1.00 44.31 O ATOM 0 H SER A 48 -18.738 5.666 -6.041 1.00 51.30 H new ATOM 0 HA SER A 48 -17.744 3.670 -7.788 1.00 45.04 H new ATOM 0 HB2 SER A 48 -19.270 4.876 -9.423 1.00 14.25 H new ATOM 0 HB3 SER A 48 -20.052 4.444 -7.915 1.00 14.25 H new ATOM 0 HG SER A 48 -20.597 6.549 -8.128 1.00 44.31 H new ATOM 724 N THR A 49 -16.691 6.746 -8.359 1.00 34.52 N ATOM 725 CA THR A 49 -15.740 7.602 -9.081 1.00 71.40 C ATOM 726 C THR A 49 -14.273 7.193 -8.827 1.00 54.24 C ATOM 727 O THR A 49 -13.434 7.242 -9.735 1.00 24.44 O ATOM 728 CB THR A 49 -15.963 9.085 -8.657 1.00 43.14 C ATOM 729 OG1 THR A 49 -15.912 9.158 -7.223 1.00 13.32 O ATOM 730 CG2 THR A 49 -17.320 9.637 -9.150 1.00 14.01 C ATOM 0 H THR A 49 -17.266 7.260 -7.691 1.00 34.52 H new ATOM 0 HA THR A 49 -15.924 7.482 -10.149 1.00 71.40 H new ATOM 0 HB THR A 49 -15.181 9.693 -9.112 1.00 43.14 H new ATOM 0 HG1 THR A 49 -16.049 10.085 -6.938 1.00 13.32 H new ATOM 0 HG21 THR A 49 -17.429 10.673 -8.830 1.00 14.01 H new ATOM 0 HG22 THR A 49 -17.359 9.587 -10.238 1.00 14.01 H new ATOM 0 HG23 THR A 49 -18.130 9.040 -8.730 1.00 14.01 H new ATOM 738 N ILE A 50 -13.991 6.768 -7.587 1.00 64.51 N ATOM 739 CA ILE A 50 -12.640 6.374 -7.163 1.00 22.13 C ATOM 740 C ILE A 50 -12.347 4.932 -7.619 1.00 1.33 C ATOM 741 O ILE A 50 -11.302 4.667 -8.227 1.00 35.03 O ATOM 742 CB ILE A 50 -12.498 6.507 -5.600 1.00 33.54 C ATOM 743 CG1 ILE A 50 -12.852 7.961 -5.140 1.00 40.10 C ATOM 744 CG2 ILE A 50 -11.093 6.096 -5.107 1.00 3.31 C ATOM 745 CD1 ILE A 50 -12.065 9.074 -5.825 1.00 64.42 C ATOM 0 H ILE A 50 -14.692 6.688 -6.851 1.00 64.51 H new ATOM 0 HA ILE A 50 -11.912 7.039 -7.628 1.00 22.13 H new ATOM 0 HB ILE A 50 -13.208 5.815 -5.146 1.00 33.54 H new ATOM 0 HG12 ILE A 50 -13.915 8.130 -5.314 1.00 40.10 H new ATOM 0 HG13 ILE A 50 -12.690 8.033 -4.065 1.00 40.10 H new ATOM 0 HG21 ILE A 50 -11.042 6.204 -4.024 1.00 3.31 H new ATOM 0 HG22 ILE A 50 -10.902 5.058 -5.378 1.00 3.31 H new ATOM 0 HG23 ILE A 50 -10.343 6.736 -5.571 1.00 3.31 H new ATOM 0 HD11 ILE A 50 -12.386 10.040 -5.435 1.00 64.42 H new ATOM 0 HD12 ILE A 50 -11.001 8.940 -5.631 1.00 64.42 H new ATOM 0 HD13 ILE A 50 -12.245 9.039 -6.899 1.00 64.42 H new ATOM 757 N LEU A 51 -13.321 4.031 -7.365 1.00 63.11 N ATOM 758 CA LEU A 51 -13.222 2.592 -7.703 1.00 74.32 C ATOM 759 C LEU A 51 -13.108 2.388 -9.226 1.00 24.34 C ATOM 760 O LEU A 51 -12.464 1.436 -9.683 1.00 65.20 O ATOM 761 CB LEU A 51 -14.449 1.809 -7.139 1.00 2.11 C ATOM 762 CG LEU A 51 -14.426 0.249 -7.301 1.00 42.24 C ATOM 763 CD1 LEU A 51 -13.152 -0.367 -6.680 1.00 3.21 C ATOM 764 CD2 LEU A 51 -15.699 -0.399 -6.707 1.00 10.13 C ATOM 0 H LEU A 51 -14.203 4.282 -6.918 1.00 63.11 H new ATOM 0 HA LEU A 51 -12.317 2.200 -7.239 1.00 74.32 H new ATOM 0 HB2 LEU A 51 -14.541 2.039 -6.078 1.00 2.11 H new ATOM 0 HB3 LEU A 51 -15.347 2.188 -7.626 1.00 2.11 H new ATOM 0 HG LEU A 51 -14.410 0.036 -8.370 1.00 42.24 H new ATOM 0 HD11 LEU A 51 -13.170 -1.449 -6.811 1.00 3.21 H new ATOM 0 HD12 LEU A 51 -12.271 0.044 -7.174 1.00 3.21 H new ATOM 0 HD13 LEU A 51 -13.115 -0.131 -5.617 1.00 3.21 H new ATOM 0 HD21 LEU A 51 -15.651 -1.480 -6.836 1.00 10.13 H new ATOM 0 HD22 LEU A 51 -15.766 -0.163 -5.645 1.00 10.13 H new ATOM 0 HD23 LEU A 51 -16.578 -0.011 -7.221 1.00 10.13 H new ATOM 776 N GLU A 52 -13.721 3.311 -9.991 1.00 13.51 N ATOM 777 CA GLU A 52 -13.724 3.274 -11.457 1.00 42.22 C ATOM 778 C GLU A 52 -12.301 3.389 -12.006 1.00 13.31 C ATOM 779 O GLU A 52 -11.880 2.545 -12.790 1.00 50.41 O ATOM 780 CB GLU A 52 -14.615 4.406 -12.031 1.00 52.14 C ATOM 781 CG GLU A 52 -14.759 4.367 -13.561 1.00 50.11 C ATOM 782 CD GLU A 52 -15.755 5.401 -14.089 1.00 63.54 C ATOM 783 OE1 GLU A 52 -15.349 6.559 -14.351 1.00 4.44 O ATOM 784 OE2 GLU A 52 -16.951 5.070 -14.224 1.00 52.43 O ATOM 0 H GLU A 52 -14.229 4.105 -9.603 1.00 13.51 H new ATOM 0 HA GLU A 52 -14.137 2.315 -11.770 1.00 42.22 H new ATOM 0 HB2 GLU A 52 -15.605 4.340 -11.580 1.00 52.14 H new ATOM 0 HB3 GLU A 52 -14.196 5.369 -11.739 1.00 52.14 H new ATOM 0 HG2 GLU A 52 -13.785 4.541 -14.018 1.00 50.11 H new ATOM 0 HG3 GLU A 52 -15.080 3.371 -13.866 1.00 50.11 H new ATOM 791 N LYS A 53 -11.565 4.414 -11.537 1.00 23.41 N ATOM 792 CA LYS A 53 -10.192 4.706 -12.008 1.00 51.40 C ATOM 793 C LYS A 53 -9.243 3.551 -11.653 1.00 1.33 C ATOM 794 O LYS A 53 -8.387 3.160 -12.454 1.00 14.20 O ATOM 795 CB LYS A 53 -9.630 6.000 -11.366 1.00 1.33 C ATOM 796 CG LYS A 53 -10.588 7.199 -11.334 1.00 31.24 C ATOM 797 CD LYS A 53 -9.890 8.477 -10.805 1.00 24.33 C ATOM 798 CE LYS A 53 -10.877 9.516 -10.270 1.00 25.35 C ATOM 799 NZ LYS A 53 -11.932 9.862 -11.252 1.00 54.11 N ATOM 0 H LYS A 53 -11.901 5.062 -10.824 1.00 23.41 H new ATOM 0 HA LYS A 53 -10.251 4.834 -13.089 1.00 51.40 H new ATOM 0 HB2 LYS A 53 -9.326 5.774 -10.344 1.00 1.33 H new ATOM 0 HB3 LYS A 53 -8.731 6.292 -11.909 1.00 1.33 H new ATOM 0 HG2 LYS A 53 -10.973 7.384 -12.337 1.00 31.24 H new ATOM 0 HG3 LYS A 53 -11.444 6.964 -10.702 1.00 31.24 H new ATOM 0 HD2 LYS A 53 -9.194 8.203 -10.013 1.00 24.33 H new ATOM 0 HD3 LYS A 53 -9.301 8.922 -11.607 1.00 24.33 H new ATOM 0 HE2 LYS A 53 -11.343 9.134 -9.362 1.00 25.35 H new ATOM 0 HE3 LYS A 53 -10.333 10.419 -9.994 1.00 25.35 H new ATOM 0 HZ1 LYS A 53 -12.532 10.618 -10.865 1.00 54.11 H new ATOM 0 HZ2 LYS A 53 -11.491 10.189 -12.135 1.00 54.11 H new ATOM 0 HZ3 LYS A 53 -12.514 9.023 -11.446 1.00 54.11 H new ATOM 813 N VAL A 54 -9.417 3.038 -10.422 1.00 2.24 N ATOM 814 CA VAL A 54 -8.599 1.958 -9.864 1.00 1.11 C ATOM 815 C VAL A 54 -8.731 0.682 -10.728 1.00 13.41 C ATOM 816 O VAL A 54 -7.728 0.120 -11.183 1.00 31.14 O ATOM 817 CB VAL A 54 -9.003 1.682 -8.364 1.00 44.42 C ATOM 818 CG1 VAL A 54 -8.268 0.458 -7.787 1.00 42.44 C ATOM 819 CG2 VAL A 54 -8.749 2.933 -7.482 1.00 31.23 C ATOM 0 H VAL A 54 -10.140 3.369 -9.783 1.00 2.24 H new ATOM 0 HA VAL A 54 -7.553 2.264 -9.877 1.00 1.11 H new ATOM 0 HB VAL A 54 -10.070 1.460 -8.355 1.00 44.42 H new ATOM 0 HG11 VAL A 54 -8.575 0.303 -6.753 1.00 42.44 H new ATOM 0 HG12 VAL A 54 -8.516 -0.426 -8.375 1.00 42.44 H new ATOM 0 HG13 VAL A 54 -7.192 0.629 -7.824 1.00 42.44 H new ATOM 0 HG21 VAL A 54 -9.036 2.717 -6.453 1.00 31.23 H new ATOM 0 HG22 VAL A 54 -7.691 3.194 -7.517 1.00 31.23 H new ATOM 0 HG23 VAL A 54 -9.341 3.768 -7.856 1.00 31.23 H new ATOM 829 N LEU A 55 -9.985 0.285 -10.995 1.00 23.34 N ATOM 830 CA LEU A 55 -10.302 -0.914 -11.798 1.00 62.14 C ATOM 831 C LEU A 55 -10.001 -0.696 -13.295 1.00 34.15 C ATOM 832 O LEU A 55 -9.701 -1.655 -13.999 1.00 23.02 O ATOM 833 CB LEU A 55 -11.784 -1.330 -11.596 1.00 12.13 C ATOM 834 CG LEU A 55 -12.163 -1.846 -10.169 1.00 13.22 C ATOM 835 CD1 LEU A 55 -13.656 -2.236 -10.107 1.00 13.41 C ATOM 836 CD2 LEU A 55 -11.253 -3.019 -9.722 1.00 32.14 C ATOM 0 H LEU A 55 -10.810 0.784 -10.662 1.00 23.34 H new ATOM 0 HA LEU A 55 -9.659 -1.722 -11.448 1.00 62.14 H new ATOM 0 HB2 LEU A 55 -12.416 -0.474 -11.831 1.00 12.13 H new ATOM 0 HB3 LEU A 55 -12.023 -2.110 -12.318 1.00 12.13 H new ATOM 0 HG LEU A 55 -11.998 -1.029 -9.467 1.00 13.22 H new ATOM 0 HD11 LEU A 55 -13.898 -2.592 -9.106 1.00 13.41 H new ATOM 0 HD12 LEU A 55 -14.269 -1.366 -10.341 1.00 13.41 H new ATOM 0 HD13 LEU A 55 -13.856 -3.026 -10.831 1.00 13.41 H new ATOM 0 HD21 LEU A 55 -11.548 -3.349 -8.726 1.00 32.14 H new ATOM 0 HD22 LEU A 55 -11.355 -3.847 -10.424 1.00 32.14 H new ATOM 0 HD23 LEU A 55 -10.215 -2.687 -9.702 1.00 32.14 H new ATOM 848 N ASP A 56 -10.094 0.563 -13.755 1.00 31.11 N ATOM 849 CA ASP A 56 -9.842 0.951 -15.164 1.00 62.12 C ATOM 850 C ASP A 56 -8.359 0.776 -15.517 1.00 55.34 C ATOM 851 O ASP A 56 -8.021 0.124 -16.517 1.00 75.33 O ATOM 852 CB ASP A 56 -10.287 2.420 -15.399 1.00 65.35 C ATOM 853 CG ASP A 56 -10.001 2.951 -16.816 1.00 65.13 C ATOM 854 OD1 ASP A 56 -10.622 2.454 -17.778 1.00 52.25 O ATOM 855 OD2 ASP A 56 -9.166 3.863 -16.969 1.00 63.31 O ATOM 0 H ASP A 56 -10.348 1.351 -13.159 1.00 31.11 H new ATOM 0 HA ASP A 56 -10.425 0.299 -15.814 1.00 62.12 H new ATOM 0 HB2 ASP A 56 -11.356 2.499 -15.203 1.00 65.35 H new ATOM 0 HB3 ASP A 56 -9.782 3.060 -14.675 1.00 65.35 H new ATOM 860 N TYR A 57 -7.485 1.355 -14.673 1.00 31.20 N ATOM 861 CA TYR A 57 -6.030 1.237 -14.829 1.00 61.22 C ATOM 862 C TYR A 57 -5.602 -0.241 -14.773 1.00 12.13 C ATOM 863 O TYR A 57 -4.849 -0.698 -15.632 1.00 41.13 O ATOM 864 CB TYR A 57 -5.280 2.054 -13.738 1.00 21.01 C ATOM 865 CG TYR A 57 -3.745 1.862 -13.758 1.00 23.31 C ATOM 866 CD1 TYR A 57 -3.116 0.884 -12.965 1.00 61.12 C ATOM 867 CD2 TYR A 57 -2.936 2.615 -14.605 1.00 4.21 C ATOM 868 CE1 TYR A 57 -1.757 0.673 -13.021 1.00 4.44 C ATOM 869 CE2 TYR A 57 -1.571 2.412 -14.649 1.00 73.13 C ATOM 870 CZ TYR A 57 -0.990 1.434 -13.863 1.00 54.41 C ATOM 871 OH TYR A 57 0.362 1.202 -13.941 1.00 12.25 O ATOM 0 H TYR A 57 -7.769 1.914 -13.869 1.00 31.20 H new ATOM 0 HA TYR A 57 -5.763 1.646 -15.803 1.00 61.22 H new ATOM 0 HB2 TYR A 57 -5.506 3.112 -13.870 1.00 21.01 H new ATOM 0 HB3 TYR A 57 -5.660 1.767 -12.757 1.00 21.01 H new ATOM 0 HD1 TYR A 57 -3.715 0.284 -12.296 1.00 61.12 H new ATOM 0 HD2 TYR A 57 -3.383 3.369 -15.237 1.00 4.21 H new ATOM 0 HE1 TYR A 57 -1.299 -0.087 -12.406 1.00 4.44 H new ATOM 0 HE2 TYR A 57 -0.956 3.018 -15.298 1.00 73.13 H new ATOM 0 HH TYR A 57 0.772 1.855 -14.547 1.00 12.25 H new ATOM 881 N CYS A 58 -6.104 -0.961 -13.747 1.00 73.00 N ATOM 882 CA CYS A 58 -5.772 -2.381 -13.512 1.00 65.41 C ATOM 883 C CYS A 58 -6.293 -3.286 -14.650 1.00 10.11 C ATOM 884 O CYS A 58 -5.669 -4.303 -14.970 1.00 51.14 O ATOM 885 CB CYS A 58 -6.337 -2.832 -12.149 1.00 73.55 C ATOM 886 SG CYS A 58 -5.663 -1.899 -10.766 1.00 2.33 S ATOM 0 H CYS A 58 -6.750 -0.574 -13.059 1.00 73.00 H new ATOM 0 HA CYS A 58 -4.686 -2.478 -13.497 1.00 65.41 H new ATOM 0 HB2 CYS A 58 -7.422 -2.725 -12.158 1.00 73.55 H new ATOM 0 HB3 CYS A 58 -6.122 -3.891 -12.005 1.00 73.55 H new ATOM 0 HG CYS A 58 -6.346 -0.804 -10.607 1.00 2.33 H new ATOM 892 N ARG A 59 -7.432 -2.890 -15.254 1.00 10.32 N ATOM 893 CA ARG A 59 -8.018 -3.581 -16.423 1.00 42.44 C ATOM 894 C ARG A 59 -7.076 -3.481 -17.622 1.00 3.21 C ATOM 895 O ARG A 59 -6.724 -4.495 -18.225 1.00 21.23 O ATOM 896 CB ARG A 59 -9.417 -2.998 -16.777 1.00 54.22 C ATOM 897 CG ARG A 59 -10.056 -3.572 -18.062 1.00 34.31 C ATOM 898 CD ARG A 59 -11.472 -3.021 -18.319 1.00 21.44 C ATOM 899 NE ARG A 59 -11.512 -1.542 -18.383 1.00 23.32 N ATOM 900 CZ ARG A 59 -12.636 -0.809 -18.506 1.00 32.50 C ATOM 901 NH1 ARG A 59 -13.833 -1.395 -18.584 1.00 31.03 N ATOM 902 NH2 ARG A 59 -12.556 0.513 -18.545 1.00 4.04 N ATOM 0 H ARG A 59 -7.972 -2.082 -14.946 1.00 10.32 H new ATOM 0 HA ARG A 59 -8.150 -4.632 -16.166 1.00 42.44 H new ATOM 0 HB2 ARG A 59 -10.092 -3.180 -15.941 1.00 54.22 H new ATOM 0 HB3 ARG A 59 -9.327 -1.917 -16.885 1.00 54.22 H new ATOM 0 HG2 ARG A 59 -9.419 -3.338 -18.915 1.00 34.31 H new ATOM 0 HG3 ARG A 59 -10.101 -4.658 -17.986 1.00 34.31 H new ATOM 0 HD2 ARG A 59 -11.851 -3.431 -19.255 1.00 21.44 H new ATOM 0 HD3 ARG A 59 -12.139 -3.364 -17.528 1.00 21.44 H new ATOM 0 HE ARG A 59 -10.625 -1.042 -18.330 1.00 23.32 H new ATOM 0 HH11 ARG A 59 -13.906 -2.412 -18.551 1.00 31.03 H new ATOM 0 HH12 ARG A 59 -14.674 -0.826 -18.677 1.00 31.03 H new ATOM 0 HH21 ARG A 59 -11.647 0.971 -18.482 1.00 4.04 H new ATOM 0 HH22 ARG A 59 -13.404 1.073 -18.638 1.00 4.04 H new ATOM 916 N HIS A 60 -6.651 -2.248 -17.921 1.00 2.01 N ATOM 917 CA HIS A 60 -5.706 -1.947 -19.008 1.00 21.45 C ATOM 918 C HIS A 60 -4.329 -2.589 -18.750 1.00 4.35 C ATOM 919 O HIS A 60 -3.653 -3.026 -19.690 1.00 4.03 O ATOM 920 CB HIS A 60 -5.573 -0.418 -19.159 1.00 32.02 C ATOM 921 CG HIS A 60 -4.535 0.026 -20.155 1.00 75.23 C ATOM 922 ND1 HIS A 60 -3.270 0.415 -19.783 1.00 40.12 N ATOM 923 CD2 HIS A 60 -4.574 0.133 -21.505 1.00 53.04 C ATOM 924 CE1 HIS A 60 -2.579 0.744 -20.847 1.00 73.53 C ATOM 925 NE2 HIS A 60 -3.343 0.586 -21.911 1.00 43.24 N ATOM 0 H HIS A 60 -6.956 -1.420 -17.410 1.00 2.01 H new ATOM 0 HA HIS A 60 -6.093 -2.371 -19.934 1.00 21.45 H new ATOM 0 HB2 HIS A 60 -6.539 -0.010 -19.455 1.00 32.02 H new ATOM 0 HB3 HIS A 60 -5.331 0.010 -18.186 1.00 32.02 H new ATOM 0 HD2 HIS A 60 -5.416 -0.095 -22.142 1.00 53.04 H new ATOM 0 HE1 HIS A 60 -1.555 1.087 -20.852 1.00 73.53 H new ATOM 0 HE2 HIS A 60 -3.065 0.770 -22.875 1.00 43.24 H new ATOM 934 N HIS A 61 -3.938 -2.650 -17.470 1.00 42.13 N ATOM 935 CA HIS A 61 -2.659 -3.244 -17.042 1.00 62.24 C ATOM 936 C HIS A 61 -2.752 -4.783 -17.083 1.00 3.42 C ATOM 937 O HIS A 61 -1.740 -5.475 -17.060 1.00 0.51 O ATOM 938 CB HIS A 61 -2.284 -2.752 -15.615 1.00 52.11 C ATOM 939 CG HIS A 61 -0.830 -2.940 -15.260 1.00 33.33 C ATOM 940 ND1 HIS A 61 -0.252 -4.179 -15.058 1.00 31.35 N ATOM 941 CD2 HIS A 61 0.169 -2.037 -15.104 1.00 40.11 C ATOM 942 CE1 HIS A 61 1.028 -4.029 -14.798 1.00 23.35 C ATOM 943 NE2 HIS A 61 1.308 -2.743 -14.820 1.00 71.42 N ATOM 0 H HIS A 61 -4.499 -2.289 -16.699 1.00 42.13 H new ATOM 0 HA HIS A 61 -1.874 -2.926 -17.728 1.00 62.24 H new ATOM 0 HB2 HIS A 61 -2.534 -1.694 -15.530 1.00 52.11 H new ATOM 0 HB3 HIS A 61 -2.896 -3.284 -14.887 1.00 52.11 H new ATOM 0 HD1 HIS A 61 -0.743 -5.072 -15.104 1.00 31.35 H new ATOM 0 HD2 HIS A 61 0.083 -0.964 -15.188 1.00 40.11 H new ATOM 0 HE1 HIS A 61 1.730 -4.825 -14.600 1.00 23.35 H new ATOM 952 N HIS A 62 -3.987 -5.308 -17.090 1.00 42.01 N ATOM 953 CA HIS A 62 -4.246 -6.738 -17.310 1.00 0.23 C ATOM 954 C HIS A 62 -4.253 -7.050 -18.820 1.00 42.14 C ATOM 955 O HIS A 62 -3.902 -8.158 -19.227 1.00 63.51 O ATOM 956 CB HIS A 62 -5.582 -7.151 -16.653 1.00 70.11 C ATOM 957 CG HIS A 62 -5.892 -8.615 -16.784 1.00 33.43 C ATOM 958 ND1 HIS A 62 -5.239 -9.572 -16.050 1.00 21.32 N ATOM 959 CD2 HIS A 62 -6.742 -9.285 -17.601 1.00 65.23 C ATOM 960 CE1 HIS A 62 -5.664 -10.761 -16.409 1.00 1.32 C ATOM 961 NE2 HIS A 62 -6.575 -10.615 -17.343 1.00 12.44 N ATOM 0 H HIS A 62 -4.831 -4.755 -16.944 1.00 42.01 H new ATOM 0 HA HIS A 62 -3.448 -7.317 -16.845 1.00 0.23 H new ATOM 0 HB2 HIS A 62 -5.553 -6.888 -15.596 1.00 70.11 H new ATOM 0 HB3 HIS A 62 -6.391 -6.576 -17.103 1.00 70.11 H new ATOM 0 HD2 HIS A 62 -7.421 -8.849 -18.319 1.00 65.23 H new ATOM 0 HE1 HIS A 62 -5.322 -11.702 -16.004 1.00 1.32 H new ATOM 0 HE2 HIS A 62 -7.078 -11.374 -17.803 1.00 12.44 H new ATOM 970 N GLN A 63 -4.667 -6.062 -19.639 1.00 64.21 N ATOM 971 CA GLN A 63 -4.658 -6.194 -21.113 1.00 62.34 C ATOM 972 C GLN A 63 -3.207 -6.191 -21.622 1.00 21.34 C ATOM 973 O GLN A 63 -2.871 -6.873 -22.590 1.00 34.11 O ATOM 974 CB GLN A 63 -5.464 -5.047 -21.802 1.00 33.53 C ATOM 975 CG GLN A 63 -6.925 -4.854 -21.328 1.00 51.21 C ATOM 976 CD GLN A 63 -7.752 -6.143 -21.267 1.00 61.15 C ATOM 977 OE1 GLN A 63 -8.357 -6.556 -22.259 1.00 52.04 O ATOM 978 NE2 GLN A 63 -7.820 -6.755 -20.089 1.00 11.41 N ATOM 0 H GLN A 63 -5.012 -5.162 -19.305 1.00 64.21 H new ATOM 0 HA GLN A 63 -5.140 -7.138 -21.369 1.00 62.34 H new ATOM 0 HB2 GLN A 63 -4.928 -4.111 -21.647 1.00 33.53 H new ATOM 0 HB3 GLN A 63 -5.475 -5.234 -22.876 1.00 33.53 H new ATOM 0 HG2 GLN A 63 -6.915 -4.397 -20.338 1.00 51.21 H new ATOM 0 HG3 GLN A 63 -7.421 -4.151 -21.998 1.00 51.21 H new ATOM 0 HE21 GLN A 63 -7.305 -6.383 -19.291 1.00 11.41 H new ATOM 0 HE22 GLN A 63 -8.387 -7.596 -19.983 1.00 11.41 H new ATOM 987 N HIS A 64 -2.354 -5.396 -20.950 1.00 41.23 N ATOM 988 CA HIS A 64 -0.908 -5.332 -21.211 1.00 74.12 C ATOM 989 C HIS A 64 -0.163 -5.560 -19.877 1.00 71.24 C ATOM 990 O HIS A 64 0.198 -4.591 -19.193 1.00 71.34 O ATOM 991 CB HIS A 64 -0.518 -3.970 -21.854 1.00 42.14 C ATOM 992 CG HIS A 64 -1.199 -3.688 -23.167 1.00 23.35 C ATOM 993 ND1 HIS A 64 -0.672 -4.062 -24.380 1.00 30.32 N ATOM 994 CD2 HIS A 64 -2.386 -3.090 -23.452 1.00 31.25 C ATOM 995 CE1 HIS A 64 -1.491 -3.713 -25.347 1.00 51.32 C ATOM 996 NE2 HIS A 64 -2.538 -3.121 -24.814 1.00 14.22 N ATOM 0 H HIS A 64 -2.656 -4.773 -20.201 1.00 41.23 H new ATOM 0 HA HIS A 64 -0.624 -6.108 -21.922 1.00 74.12 H new ATOM 0 HB2 HIS A 64 -0.757 -3.169 -21.154 1.00 42.14 H new ATOM 0 HB3 HIS A 64 0.561 -3.949 -22.006 1.00 42.14 H new ATOM 0 HD2 HIS A 64 -3.079 -2.669 -22.739 1.00 31.25 H new ATOM 0 HE1 HIS A 64 -1.331 -3.883 -26.401 1.00 51.32 H new ATOM 0 HE2 HIS A 64 -3.334 -2.746 -25.330 1.00 14.22 H new ATOM 1005 N PRO A 65 0.016 -6.860 -19.448 1.00 33.13 N ATOM 1006 CA PRO A 65 0.685 -7.200 -18.160 1.00 0.31 C ATOM 1007 C PRO A 65 2.191 -6.869 -18.142 1.00 53.05 C ATOM 1008 O PRO A 65 2.766 -6.680 -17.063 1.00 64.55 O ATOM 1009 CB PRO A 65 0.430 -8.722 -18.016 1.00 13.45 C ATOM 1010 CG PRO A 65 0.251 -9.213 -19.418 1.00 41.44 C ATOM 1011 CD PRO A 65 -0.447 -8.094 -20.158 1.00 74.32 C ATOM 0 HA PRO A 65 0.289 -6.612 -17.332 1.00 0.31 H new ATOM 0 HB2 PRO A 65 1.268 -9.219 -17.527 1.00 13.45 H new ATOM 0 HB3 PRO A 65 -0.455 -8.919 -17.411 1.00 13.45 H new ATOM 0 HG2 PRO A 65 1.212 -9.446 -19.877 1.00 41.44 H new ATOM 0 HG3 PRO A 65 -0.343 -10.127 -19.440 1.00 41.44 H new ATOM 0 HD2 PRO A 65 -0.171 -8.077 -21.212 1.00 74.32 H new ATOM 0 HD3 PRO A 65 -1.531 -8.199 -20.114 1.00 74.32 H new ATOM 1019 N GLY A 66 2.808 -6.794 -19.332 1.00 65.04 N ATOM 1020 CA GLY A 66 4.235 -6.514 -19.450 1.00 34.11 C ATOM 1021 C GLY A 66 4.647 -6.271 -20.891 1.00 24.04 C ATOM 1022 O GLY A 66 3.941 -5.566 -21.624 1.00 1.53 O ATOM 0 H GLY A 66 2.333 -6.925 -20.225 1.00 65.04 H new ATOM 0 HA2 GLY A 66 4.484 -5.640 -18.849 1.00 34.11 H new ATOM 0 HA3 GLY A 66 4.804 -7.351 -19.046 1.00 34.11 H new ATOM 1026 N GLY A 67 5.797 -6.852 -21.299 1.00 2.12 N ATOM 1027 CA GLY A 67 6.316 -6.723 -22.669 1.00 20.22 C ATOM 1028 C GLY A 67 7.045 -5.400 -22.893 1.00 54.12 C ATOM 1029 O GLY A 67 8.266 -5.369 -23.100 1.00 55.10 O ATOM 0 H GLY A 67 6.385 -7.419 -20.688 1.00 2.12 H new ATOM 0 HA2 GLY A 67 6.996 -7.549 -22.876 1.00 20.22 H new ATOM 0 HA3 GLY A 67 5.491 -6.804 -23.376 1.00 20.22 H new ATOM 1033 N SER A 68 6.285 -4.300 -22.844 1.00 43.33 N ATOM 1034 CA SER A 68 6.799 -2.931 -22.992 1.00 25.24 C ATOM 1035 C SER A 68 6.088 -2.005 -21.980 1.00 43.23 C ATOM 1036 O SER A 68 5.292 -2.468 -21.150 1.00 63.53 O ATOM 1037 CB SER A 68 6.581 -2.455 -24.452 1.00 51.35 C ATOM 1038 OG SER A 68 7.232 -3.319 -25.375 1.00 12.25 O ATOM 0 H SER A 68 5.276 -4.336 -22.698 1.00 43.33 H new ATOM 0 HA SER A 68 7.868 -2.903 -22.783 1.00 25.24 H new ATOM 0 HB2 SER A 68 5.514 -2.421 -24.671 1.00 51.35 H new ATOM 0 HB3 SER A 68 6.962 -1.440 -24.568 1.00 51.35 H new ATOM 0 HG SER A 68 7.078 -2.998 -26.288 1.00 12.25 H new ATOM 1044 N GLY A 69 6.398 -0.700 -22.045 1.00 22.42 N ATOM 1045 CA GLY A 69 5.815 0.302 -21.143 1.00 2.23 C ATOM 1046 C GLY A 69 6.764 0.712 -20.023 1.00 64.54 C ATOM 1047 O GLY A 69 6.672 1.827 -19.509 1.00 53.10 O ATOM 0 H GLY A 69 7.056 -0.313 -22.721 1.00 22.42 H new ATOM 0 HA2 GLY A 69 5.537 1.185 -21.719 1.00 2.23 H new ATOM 0 HA3 GLY A 69 4.898 -0.097 -20.709 1.00 2.23 H new ATOM 1051 N LEU A 70 7.684 -0.197 -19.655 1.00 40.42 N ATOM 1052 CA LEU A 70 8.665 0.030 -18.575 1.00 72.14 C ATOM 1053 C LEU A 70 9.666 1.144 -18.967 1.00 11.34 C ATOM 1054 O LEU A 70 9.977 2.029 -18.162 1.00 0.52 O ATOM 1055 CB LEU A 70 9.403 -1.302 -18.253 1.00 63.51 C ATOM 1056 CG LEU A 70 8.492 -2.500 -17.809 1.00 4.42 C ATOM 1057 CD1 LEU A 70 9.319 -3.786 -17.588 1.00 45.10 C ATOM 1058 CD2 LEU A 70 7.650 -2.150 -16.554 1.00 45.12 C ATOM 0 H LEU A 70 7.770 -1.112 -20.098 1.00 40.42 H new ATOM 0 HA LEU A 70 8.140 0.364 -17.680 1.00 72.14 H new ATOM 0 HB2 LEU A 70 9.965 -1.606 -19.136 1.00 63.51 H new ATOM 0 HB3 LEU A 70 10.129 -1.111 -17.463 1.00 63.51 H new ATOM 0 HG LEU A 70 7.794 -2.691 -18.624 1.00 4.42 H new ATOM 0 HD11 LEU A 70 8.657 -4.596 -17.281 1.00 45.10 H new ATOM 0 HD12 LEU A 70 9.821 -4.059 -18.516 1.00 45.10 H new ATOM 0 HD13 LEU A 70 10.063 -3.611 -16.811 1.00 45.10 H new ATOM 0 HD21 LEU A 70 7.033 -3.006 -16.279 1.00 45.12 H new ATOM 0 HD22 LEU A 70 8.315 -1.902 -15.727 1.00 45.12 H new ATOM 0 HD23 LEU A 70 7.009 -1.296 -16.773 1.00 45.12 H new ATOM 1070 N ASP A 71 10.162 1.077 -20.217 1.00 4.54 N ATOM 1071 CA ASP A 71 11.045 2.111 -20.798 1.00 73.44 C ATOM 1072 C ASP A 71 10.216 3.178 -21.531 1.00 32.12 C ATOM 1073 O ASP A 71 10.529 4.375 -21.479 1.00 43.30 O ATOM 1074 CB ASP A 71 12.063 1.448 -21.761 1.00 62.43 C ATOM 1075 CG ASP A 71 13.015 2.446 -22.447 1.00 54.33 C ATOM 1076 OD1 ASP A 71 13.938 2.957 -21.774 1.00 53.53 O ATOM 1077 OD2 ASP A 71 12.846 2.727 -23.659 1.00 74.31 O ATOM 0 H ASP A 71 9.963 0.305 -20.854 1.00 4.54 H new ATOM 0 HA ASP A 71 11.592 2.604 -19.994 1.00 73.44 H new ATOM 0 HB2 ASP A 71 12.654 0.721 -21.204 1.00 62.43 H new ATOM 0 HB3 ASP A 71 11.518 0.896 -22.527 1.00 62.43 H new ATOM 1082 N ASP A 72 9.146 2.719 -22.197 1.00 41.24 N ATOM 1083 CA ASP A 72 8.284 3.550 -23.057 1.00 64.21 C ATOM 1084 C ASP A 72 7.563 4.642 -22.249 1.00 21.20 C ATOM 1085 O ASP A 72 7.427 5.776 -22.721 1.00 21.00 O ATOM 1086 CB ASP A 72 7.244 2.651 -23.784 1.00 72.35 C ATOM 1087 CG ASP A 72 7.897 1.534 -24.620 1.00 64.05 C ATOM 1088 OD1 ASP A 72 7.978 1.659 -25.865 1.00 32.31 O ATOM 1089 OD2 ASP A 72 8.364 0.536 -24.021 1.00 21.03 O ATOM 0 H ASP A 72 8.849 1.744 -22.154 1.00 41.24 H new ATOM 0 HA ASP A 72 8.918 4.045 -23.792 1.00 64.21 H new ATOM 0 HB2 ASP A 72 6.579 2.203 -23.045 1.00 72.35 H new ATOM 0 HB3 ASP A 72 6.627 3.271 -24.434 1.00 72.35 H new ATOM 1094 N ILE A 73 7.151 4.272 -21.014 1.00 64.31 N ATOM 1095 CA ILE A 73 6.319 5.096 -20.119 1.00 52.14 C ATOM 1096 C ILE A 73 4.990 5.470 -20.825 1.00 21.33 C ATOM 1097 O ILE A 73 4.953 6.441 -21.598 1.00 15.45 O ATOM 1098 CB ILE A 73 7.066 6.379 -19.574 1.00 1.34 C ATOM 1099 CG1 ILE A 73 8.415 5.990 -18.871 1.00 33.14 C ATOM 1100 CG2 ILE A 73 6.151 7.195 -18.619 1.00 31.21 C ATOM 1101 CD1 ILE A 73 8.279 5.064 -17.662 1.00 13.33 C ATOM 0 H ILE A 73 7.396 3.370 -20.607 1.00 64.31 H new ATOM 0 HA ILE A 73 6.099 4.491 -19.239 1.00 52.14 H new ATOM 0 HB ILE A 73 7.306 7.014 -20.427 1.00 1.34 H new ATOM 0 HG12 ILE A 73 9.062 5.510 -19.605 1.00 33.14 H new ATOM 0 HG13 ILE A 73 8.917 6.904 -18.553 1.00 33.14 H new ATOM 0 HG21 ILE A 73 6.690 8.071 -18.259 1.00 31.21 H new ATOM 0 HG22 ILE A 73 5.257 7.514 -19.155 1.00 31.21 H new ATOM 0 HG23 ILE A 73 5.863 6.573 -17.771 1.00 31.21 H new ATOM 0 HD11 ILE A 73 9.266 4.856 -17.250 1.00 13.33 H new ATOM 0 HD12 ILE A 73 7.663 5.545 -16.903 1.00 13.33 H new ATOM 0 HD13 ILE A 73 7.811 4.129 -17.970 1.00 13.33 H new ATOM 1113 N PRO A 74 3.896 4.668 -20.626 1.00 75.34 N ATOM 1114 CA PRO A 74 2.609 4.907 -21.308 1.00 33.11 C ATOM 1115 C PRO A 74 1.979 6.249 -20.867 1.00 2.22 C ATOM 1116 O PRO A 74 1.853 6.493 -19.661 1.00 23.34 O ATOM 1117 CB PRO A 74 1.726 3.689 -20.894 1.00 44.24 C ATOM 1118 CG PRO A 74 2.698 2.673 -20.358 1.00 34.21 C ATOM 1119 CD PRO A 74 3.806 3.481 -19.729 1.00 14.53 C ATOM 0 HA PRO A 74 2.717 4.987 -22.390 1.00 33.11 H new ATOM 0 HB2 PRO A 74 0.992 3.971 -20.139 1.00 44.24 H new ATOM 0 HB3 PRO A 74 1.172 3.295 -21.746 1.00 44.24 H new ATOM 0 HG2 PRO A 74 2.222 2.020 -19.626 1.00 34.21 H new ATOM 0 HG3 PRO A 74 3.080 2.034 -21.155 1.00 34.21 H new ATOM 0 HD2 PRO A 74 3.568 3.765 -18.704 1.00 14.53 H new ATOM 0 HD3 PRO A 74 4.744 2.926 -19.696 1.00 14.53 H new ATOM 1127 N PRO A 75 1.603 7.151 -21.837 1.00 14.31 N ATOM 1128 CA PRO A 75 0.843 8.399 -21.547 1.00 52.23 C ATOM 1129 C PRO A 75 -0.424 8.154 -20.697 1.00 13.52 C ATOM 1130 O PRO A 75 -0.852 9.037 -19.965 1.00 1.32 O ATOM 1131 CB PRO A 75 0.485 8.924 -22.959 1.00 34.25 C ATOM 1132 CG PRO A 75 1.596 8.420 -23.833 1.00 72.33 C ATOM 1133 CD PRO A 75 1.945 7.053 -23.292 1.00 35.51 C ATOM 0 HA PRO A 75 1.423 9.103 -20.951 1.00 52.23 H new ATOM 0 HB2 PRO A 75 -0.483 8.548 -23.290 1.00 34.25 H new ATOM 0 HB3 PRO A 75 0.427 10.012 -22.976 1.00 34.25 H new ATOM 0 HG2 PRO A 75 1.280 8.361 -24.875 1.00 72.33 H new ATOM 0 HG3 PRO A 75 2.457 9.088 -23.798 1.00 72.33 H new ATOM 0 HD2 PRO A 75 1.372 6.268 -23.786 1.00 35.51 H new ATOM 0 HD3 PRO A 75 2.999 6.820 -23.441 1.00 35.51 H new ATOM 1141 N TYR A 76 -0.969 6.926 -20.805 1.00 54.23 N ATOM 1142 CA TYR A 76 -2.115 6.430 -20.015 1.00 30.23 C ATOM 1143 C TYR A 76 -1.885 6.600 -18.496 1.00 31.31 C ATOM 1144 O TYR A 76 -2.751 7.106 -17.785 1.00 52.34 O ATOM 1145 CB TYR A 76 -2.342 4.928 -20.355 1.00 4.42 C ATOM 1146 CG TYR A 76 -3.619 4.298 -19.768 1.00 62.05 C ATOM 1147 CD1 TYR A 76 -3.660 3.808 -18.455 1.00 75.01 C ATOM 1148 CD2 TYR A 76 -4.779 4.173 -20.536 1.00 12.31 C ATOM 1149 CE1 TYR A 76 -4.801 3.222 -17.944 1.00 1.34 C ATOM 1150 CE2 TYR A 76 -5.919 3.594 -20.021 1.00 31.11 C ATOM 1151 CZ TYR A 76 -5.927 3.119 -18.733 1.00 45.02 C ATOM 1152 OH TYR A 76 -7.055 2.507 -18.244 1.00 55.23 O ATOM 0 H TYR A 76 -0.614 6.232 -21.463 1.00 54.23 H new ATOM 0 HA TYR A 76 -2.996 7.017 -20.275 1.00 30.23 H new ATOM 0 HB2 TYR A 76 -2.370 4.820 -21.439 1.00 4.42 H new ATOM 0 HB3 TYR A 76 -1.482 4.360 -20.000 1.00 4.42 H new ATOM 0 HD1 TYR A 76 -2.782 3.891 -17.831 1.00 75.01 H new ATOM 0 HD2 TYR A 76 -4.783 4.537 -21.553 1.00 12.31 H new ATOM 0 HE1 TYR A 76 -4.811 2.846 -16.932 1.00 1.34 H new ATOM 0 HE2 TYR A 76 -6.807 3.514 -20.631 1.00 31.11 H new ATOM 0 HH TYR A 76 -7.638 3.178 -17.830 1.00 55.23 H new ATOM 1162 N ASP A 77 -0.705 6.151 -18.037 1.00 2.12 N ATOM 1163 CA ASP A 77 -0.296 6.191 -16.617 1.00 73.02 C ATOM 1164 C ASP A 77 -0.195 7.636 -16.110 1.00 24.11 C ATOM 1165 O ASP A 77 -0.571 7.938 -14.970 1.00 54.30 O ATOM 1166 CB ASP A 77 1.077 5.486 -16.451 1.00 53.20 C ATOM 1167 CG ASP A 77 1.024 3.967 -16.692 1.00 1.41 C ATOM 1168 OD1 ASP A 77 1.480 3.199 -15.817 1.00 74.32 O ATOM 1169 OD2 ASP A 77 0.513 3.533 -17.748 1.00 73.51 O ATOM 0 H ASP A 77 0.003 5.744 -18.648 1.00 2.12 H new ATOM 0 HA ASP A 77 -1.054 5.673 -16.029 1.00 73.02 H new ATOM 0 HB2 ASP A 77 1.790 5.931 -17.145 1.00 53.20 H new ATOM 0 HB3 ASP A 77 1.452 5.673 -15.445 1.00 53.20 H new ATOM 1174 N ARG A 78 0.319 8.508 -16.983 1.00 1.15 N ATOM 1175 CA ARG A 78 0.507 9.940 -16.685 1.00 32.40 C ATOM 1176 C ARG A 78 -0.840 10.662 -16.666 1.00 44.12 C ATOM 1177 O ARG A 78 -1.046 11.617 -15.907 1.00 62.05 O ATOM 1178 CB ARG A 78 1.442 10.577 -17.742 1.00 51.30 C ATOM 1179 CG ARG A 78 2.765 9.815 -17.930 1.00 14.34 C ATOM 1180 CD ARG A 78 3.736 10.521 -18.895 1.00 4.03 C ATOM 1181 NE ARG A 78 3.140 10.773 -20.226 1.00 4.02 N ATOM 1182 CZ ARG A 78 3.836 10.968 -21.365 1.00 13.15 C ATOM 1183 NH1 ARG A 78 5.164 10.944 -21.369 1.00 34.13 N ATOM 1184 NH2 ARG A 78 3.187 11.228 -22.490 1.00 64.11 N ATOM 0 H ARG A 78 0.619 8.244 -17.921 1.00 1.15 H new ATOM 0 HA ARG A 78 0.964 10.038 -15.700 1.00 32.40 H new ATOM 0 HB2 ARG A 78 0.919 10.623 -18.697 1.00 51.30 H new ATOM 0 HB3 ARG A 78 1.662 11.604 -17.449 1.00 51.30 H new ATOM 0 HG2 ARG A 78 3.249 9.694 -16.961 1.00 14.34 H new ATOM 0 HG3 ARG A 78 2.551 8.815 -18.306 1.00 14.34 H new ATOM 0 HD2 ARG A 78 4.051 11.469 -18.458 1.00 4.03 H new ATOM 0 HD3 ARG A 78 4.632 9.911 -19.013 1.00 4.03 H new ATOM 0 HE ARG A 78 2.122 10.801 -20.287 1.00 4.02 H new ATOM 0 HH11 ARG A 78 5.674 10.776 -20.502 1.00 34.13 H new ATOM 0 HH12 ARG A 78 5.674 11.093 -22.240 1.00 34.13 H new ATOM 0 HH21 ARG A 78 2.168 11.280 -22.491 1.00 64.11 H new ATOM 0 HH22 ARG A 78 3.706 11.377 -23.355 1.00 64.11 H new ATOM 1198 N ASP A 79 -1.755 10.196 -17.525 1.00 62.43 N ATOM 1199 CA ASP A 79 -3.110 10.738 -17.621 1.00 2.33 C ATOM 1200 C ASP A 79 -4.015 10.198 -16.506 1.00 62.21 C ATOM 1201 O ASP A 79 -5.027 10.824 -16.170 1.00 55.00 O ATOM 1202 CB ASP A 79 -3.712 10.532 -19.036 1.00 52.41 C ATOM 1203 CG ASP A 79 -3.048 11.455 -20.086 1.00 44.43 C ATOM 1204 OD1 ASP A 79 -2.663 10.980 -21.178 1.00 63.34 O ATOM 1205 OD2 ASP A 79 -2.894 12.670 -19.811 1.00 73.53 O ATOM 0 H ASP A 79 -1.573 9.430 -18.174 1.00 62.43 H new ATOM 0 HA ASP A 79 -3.045 11.816 -17.470 1.00 2.33 H new ATOM 0 HB2 ASP A 79 -3.586 9.492 -19.336 1.00 52.41 H new ATOM 0 HB3 ASP A 79 -4.784 10.728 -19.007 1.00 52.41 H new ATOM 1210 N PHE A 80 -3.647 9.033 -15.938 1.00 0.35 N ATOM 1211 CA PHE A 80 -4.288 8.483 -14.721 1.00 64.43 C ATOM 1212 C PHE A 80 -4.026 9.422 -13.520 1.00 53.03 C ATOM 1213 O PHE A 80 -4.883 9.589 -12.640 1.00 52.23 O ATOM 1214 CB PHE A 80 -3.776 7.035 -14.432 1.00 43.41 C ATOM 1215 CG PHE A 80 -4.267 6.441 -13.105 1.00 1.44 C ATOM 1216 CD1 PHE A 80 -3.412 6.331 -12.005 1.00 54.43 C ATOM 1217 CD2 PHE A 80 -5.592 6.028 -12.953 1.00 71.54 C ATOM 1218 CE1 PHE A 80 -3.865 5.834 -10.799 1.00 53.35 C ATOM 1219 CE2 PHE A 80 -6.039 5.524 -11.746 1.00 24.11 C ATOM 1220 CZ PHE A 80 -5.179 5.429 -10.669 1.00 13.12 C ATOM 0 H PHE A 80 -2.899 8.446 -16.307 1.00 0.35 H new ATOM 0 HA PHE A 80 -5.364 8.423 -14.883 1.00 64.43 H new ATOM 0 HB2 PHE A 80 -4.091 6.382 -15.246 1.00 43.41 H new ATOM 0 HB3 PHE A 80 -2.686 7.042 -14.432 1.00 43.41 H new ATOM 0 HD1 PHE A 80 -2.381 6.639 -12.100 1.00 54.43 H new ATOM 0 HD2 PHE A 80 -6.274 6.103 -13.787 1.00 71.54 H new ATOM 0 HE1 PHE A 80 -3.192 5.762 -9.957 1.00 53.35 H new ATOM 0 HE2 PHE A 80 -7.065 5.203 -11.644 1.00 24.11 H new ATOM 0 HZ PHE A 80 -5.534 5.039 -9.727 1.00 13.12 H new ATOM 1230 N CYS A 81 -2.838 10.054 -13.537 1.00 41.44 N ATOM 1231 CA CYS A 81 -2.400 11.013 -12.509 1.00 3.11 C ATOM 1232 C CYS A 81 -3.177 12.351 -12.577 1.00 72.32 C ATOM 1233 O CYS A 81 -3.074 13.162 -11.651 1.00 15.11 O ATOM 1234 CB CYS A 81 -0.884 11.269 -12.674 1.00 33.21 C ATOM 1235 SG CYS A 81 0.119 9.774 -12.597 1.00 54.45 S ATOM 0 H CYS A 81 -2.148 9.911 -14.274 1.00 41.44 H new ATOM 0 HA CYS A 81 -2.609 10.578 -11.532 1.00 3.11 H new ATOM 0 HB2 CYS A 81 -0.710 11.763 -13.630 1.00 33.21 H new ATOM 0 HB3 CYS A 81 -0.554 11.957 -11.895 1.00 33.21 H new ATOM 0 HG CYS A 81 -0.264 8.946 -13.523 1.00 54.45 H new ATOM 1241 N LYS A 82 -3.954 12.574 -13.668 1.00 2.32 N ATOM 1242 CA LYS A 82 -4.737 13.815 -13.860 1.00 63.11 C ATOM 1243 C LYS A 82 -6.058 13.714 -13.082 1.00 74.11 C ATOM 1244 O LYS A 82 -7.125 13.461 -13.660 1.00 52.20 O ATOM 1245 CB LYS A 82 -5.013 14.074 -15.369 1.00 52.21 C ATOM 1246 CG LYS A 82 -3.769 14.023 -16.267 1.00 30.21 C ATOM 1247 CD LYS A 82 -2.681 15.052 -15.890 1.00 14.43 C ATOM 1248 CE LYS A 82 -1.428 14.908 -16.772 1.00 73.41 C ATOM 1249 NZ LYS A 82 -1.759 14.976 -18.221 1.00 74.11 N ATOM 0 H LYS A 82 -4.053 11.904 -14.430 1.00 2.32 H new ATOM 0 HA LYS A 82 -4.158 14.656 -13.479 1.00 63.11 H new ATOM 0 HB2 LYS A 82 -5.732 13.336 -15.725 1.00 52.21 H new ATOM 0 HB3 LYS A 82 -5.482 15.052 -15.476 1.00 52.21 H new ATOM 0 HG2 LYS A 82 -3.340 13.022 -16.220 1.00 30.21 H new ATOM 0 HG3 LYS A 82 -4.072 14.192 -17.300 1.00 30.21 H new ATOM 0 HD2 LYS A 82 -3.083 16.060 -15.992 1.00 14.43 H new ATOM 0 HD3 LYS A 82 -2.406 14.923 -14.843 1.00 14.43 H new ATOM 0 HE2 LYS A 82 -0.717 15.696 -16.525 1.00 73.41 H new ATOM 0 HE3 LYS A 82 -0.939 13.958 -16.555 1.00 73.41 H new ATOM 0 HZ1 LYS A 82 -0.903 15.215 -18.762 1.00 74.11 H new ATOM 0 HZ2 LYS A 82 -2.123 14.055 -18.538 1.00 74.11 H new ATOM 0 HZ3 LYS A 82 -2.483 15.706 -18.378 1.00 74.11 H new ATOM 1263 N VAL A 83 -5.951 13.840 -11.758 1.00 64.34 N ATOM 1264 CA VAL A 83 -7.085 13.812 -10.817 1.00 42.22 C ATOM 1265 C VAL A 83 -6.954 15.006 -9.857 1.00 62.32 C ATOM 1266 O VAL A 83 -5.923 15.696 -9.875 1.00 42.32 O ATOM 1267 CB VAL A 83 -7.129 12.447 -10.015 1.00 72.11 C ATOM 1268 CG1 VAL A 83 -7.443 11.256 -10.950 1.00 64.12 C ATOM 1269 CG2 VAL A 83 -5.811 12.204 -9.236 1.00 33.43 C ATOM 0 H VAL A 83 -5.052 13.968 -11.293 1.00 64.34 H new ATOM 0 HA VAL A 83 -8.019 13.887 -11.373 1.00 42.22 H new ATOM 0 HB VAL A 83 -7.937 12.525 -9.287 1.00 72.11 H new ATOM 0 HG11 VAL A 83 -7.466 10.334 -10.369 1.00 64.12 H new ATOM 0 HG12 VAL A 83 -8.412 11.411 -11.424 1.00 64.12 H new ATOM 0 HG13 VAL A 83 -6.672 11.182 -11.717 1.00 64.12 H new ATOM 0 HG21 VAL A 83 -5.876 11.259 -8.697 1.00 33.43 H new ATOM 0 HG22 VAL A 83 -4.976 12.166 -9.936 1.00 33.43 H new ATOM 0 HG23 VAL A 83 -5.653 13.016 -8.526 1.00 33.43 H new ATOM 1279 N ASP A 84 -7.986 15.260 -9.030 1.00 23.02 N ATOM 1280 CA ASP A 84 -7.933 16.336 -8.017 1.00 52.53 C ATOM 1281 C ASP A 84 -6.941 15.962 -6.902 1.00 1.23 C ATOM 1282 O ASP A 84 -6.662 14.782 -6.693 1.00 11.42 O ATOM 1283 CB ASP A 84 -9.331 16.631 -7.411 1.00 72.44 C ATOM 1284 CG ASP A 84 -10.385 16.978 -8.471 1.00 54.00 C ATOM 1285 OD1 ASP A 84 -10.379 18.122 -8.988 1.00 5.33 O ATOM 1286 OD2 ASP A 84 -11.225 16.108 -8.804 1.00 3.22 O ATOM 0 H ASP A 84 -8.863 14.739 -9.042 1.00 23.02 H new ATOM 0 HA ASP A 84 -7.594 17.243 -8.517 1.00 52.53 H new ATOM 0 HB2 ASP A 84 -9.666 15.762 -6.845 1.00 72.44 H new ATOM 0 HB3 ASP A 84 -9.248 17.458 -6.706 1.00 72.44 H new ATOM 1291 N GLN A 85 -6.427 16.987 -6.200 1.00 44.32 N ATOM 1292 CA GLN A 85 -5.459 16.831 -5.094 1.00 5.44 C ATOM 1293 C GLN A 85 -6.019 15.873 -3.986 1.00 42.21 C ATOM 1294 O GLN A 85 -5.321 14.917 -3.622 1.00 41.20 O ATOM 1295 CB GLN A 85 -5.037 18.254 -4.559 1.00 44.02 C ATOM 1296 CG GLN A 85 -3.909 18.320 -3.484 1.00 44.51 C ATOM 1297 CD GLN A 85 -4.383 18.038 -2.051 1.00 44.51 C ATOM 1298 OE1 GLN A 85 -4.806 18.943 -1.336 1.00 12.22 O ATOM 1299 NE2 GLN A 85 -4.332 16.788 -1.640 1.00 75.43 N ATOM 0 H GLN A 85 -6.673 17.959 -6.385 1.00 44.32 H new ATOM 0 HA GLN A 85 -4.552 16.348 -5.456 1.00 5.44 H new ATOM 0 HB2 GLN A 85 -4.722 18.853 -5.413 1.00 44.02 H new ATOM 0 HB3 GLN A 85 -5.924 18.733 -4.144 1.00 44.02 H new ATOM 0 HG2 GLN A 85 -3.132 17.601 -3.745 1.00 44.51 H new ATOM 0 HG3 GLN A 85 -3.452 19.309 -3.515 1.00 44.51 H new ATOM 0 HE21 GLN A 85 -3.975 16.061 -2.260 1.00 75.43 H new ATOM 0 HE22 GLN A 85 -4.650 16.546 -0.701 1.00 75.43 H new ATOM 1308 N PRO A 86 -7.274 16.074 -3.430 1.00 44.34 N ATOM 1309 CA PRO A 86 -7.852 15.122 -2.437 1.00 1.41 C ATOM 1310 C PRO A 86 -8.199 13.753 -3.066 1.00 41.21 C ATOM 1311 O PRO A 86 -7.957 12.708 -2.452 1.00 1.53 O ATOM 1312 CB PRO A 86 -9.129 15.845 -1.919 1.00 61.40 C ATOM 1313 CG PRO A 86 -8.957 17.277 -2.341 1.00 24.12 C ATOM 1314 CD PRO A 86 -8.205 17.221 -3.646 1.00 24.20 C ATOM 0 HA PRO A 86 -7.144 14.888 -1.641 1.00 1.41 H new ATOM 0 HB2 PRO A 86 -10.031 15.411 -2.350 1.00 61.40 H new ATOM 0 HB3 PRO A 86 -9.220 15.760 -0.836 1.00 61.40 H new ATOM 0 HG2 PRO A 86 -9.922 17.769 -2.464 1.00 24.12 H new ATOM 0 HG3 PRO A 86 -8.403 17.844 -1.592 1.00 24.12 H new ATOM 0 HD2 PRO A 86 -8.871 17.050 -4.492 1.00 24.20 H new ATOM 0 HD3 PRO A 86 -7.668 18.148 -3.846 1.00 24.20 H new ATOM 1322 N THR A 87 -8.744 13.791 -4.307 1.00 50.31 N ATOM 1323 CA THR A 87 -9.125 12.590 -5.091 1.00 10.52 C ATOM 1324 C THR A 87 -7.924 11.638 -5.302 1.00 22.53 C ATOM 1325 O THR A 87 -8.082 10.411 -5.362 1.00 74.02 O ATOM 1326 CB THR A 87 -9.701 13.022 -6.477 1.00 2.14 C ATOM 1327 OG1 THR A 87 -10.824 13.891 -6.271 1.00 5.55 O ATOM 1328 CG2 THR A 87 -10.131 11.834 -7.358 1.00 30.41 C ATOM 0 H THR A 87 -8.933 14.666 -4.797 1.00 50.31 H new ATOM 0 HA THR A 87 -9.885 12.052 -4.524 1.00 10.52 H new ATOM 0 HB THR A 87 -8.899 13.534 -7.008 1.00 2.14 H new ATOM 0 HG1 THR A 87 -11.188 14.166 -7.138 1.00 5.55 H new ATOM 0 HG21 THR A 87 -10.521 12.206 -8.305 1.00 30.41 H new ATOM 0 HG22 THR A 87 -9.271 11.191 -7.547 1.00 30.41 H new ATOM 0 HG23 THR A 87 -10.905 11.263 -6.846 1.00 30.41 H new ATOM 1336 N LEU A 88 -6.734 12.244 -5.395 1.00 13.12 N ATOM 1337 CA LEU A 88 -5.445 11.552 -5.554 1.00 41.12 C ATOM 1338 C LEU A 88 -5.211 10.608 -4.346 1.00 11.42 C ATOM 1339 O LEU A 88 -4.852 9.438 -4.512 1.00 21.41 O ATOM 1340 CB LEU A 88 -4.318 12.637 -5.691 1.00 21.53 C ATOM 1341 CG LEU A 88 -3.020 12.248 -6.475 1.00 43.53 C ATOM 1342 CD1 LEU A 88 -2.100 13.478 -6.664 1.00 55.33 C ATOM 1343 CD2 LEU A 88 -2.267 11.095 -5.798 1.00 14.05 C ATOM 0 H LEU A 88 -6.636 13.259 -5.361 1.00 13.12 H new ATOM 0 HA LEU A 88 -5.437 10.932 -6.451 1.00 41.12 H new ATOM 0 HB2 LEU A 88 -4.752 13.511 -6.176 1.00 21.53 H new ATOM 0 HB3 LEU A 88 -4.024 12.942 -4.687 1.00 21.53 H new ATOM 0 HG LEU A 88 -3.328 11.897 -7.460 1.00 43.53 H new ATOM 0 HD11 LEU A 88 -1.205 13.182 -7.211 1.00 55.33 H new ATOM 0 HD12 LEU A 88 -2.631 14.247 -7.225 1.00 55.33 H new ATOM 0 HD13 LEU A 88 -1.815 13.873 -5.689 1.00 55.33 H new ATOM 0 HD21 LEU A 88 -1.373 10.856 -6.374 1.00 14.05 H new ATOM 0 HD22 LEU A 88 -1.980 11.391 -4.789 1.00 14.05 H new ATOM 0 HD23 LEU A 88 -2.912 10.218 -5.750 1.00 14.05 H new ATOM 1355 N PHE A 89 -5.450 11.142 -3.138 1.00 4.00 N ATOM 1356 CA PHE A 89 -5.282 10.394 -1.881 1.00 24.43 C ATOM 1357 C PHE A 89 -6.392 9.364 -1.686 1.00 24.45 C ATOM 1358 O PHE A 89 -6.156 8.324 -1.077 1.00 21.34 O ATOM 1359 CB PHE A 89 -5.201 11.356 -0.681 1.00 45.02 C ATOM 1360 CG PHE A 89 -3.955 12.232 -0.711 1.00 71.03 C ATOM 1361 CD1 PHE A 89 -2.699 11.659 -0.902 1.00 44.42 C ATOM 1362 CD2 PHE A 89 -4.027 13.611 -0.554 1.00 72.01 C ATOM 1363 CE1 PHE A 89 -1.564 12.435 -0.934 1.00 61.11 C ATOM 1364 CE2 PHE A 89 -2.887 14.385 -0.582 1.00 15.11 C ATOM 1365 CZ PHE A 89 -1.657 13.800 -0.777 1.00 40.05 C ATOM 0 H PHE A 89 -5.765 12.103 -3.005 1.00 4.00 H new ATOM 0 HA PHE A 89 -4.341 9.847 -1.944 1.00 24.43 H new ATOM 0 HB2 PHE A 89 -6.086 11.992 -0.670 1.00 45.02 H new ATOM 0 HB3 PHE A 89 -5.212 10.779 0.243 1.00 45.02 H new ATOM 0 HD1 PHE A 89 -2.616 10.589 -1.027 1.00 44.42 H new ATOM 0 HD2 PHE A 89 -4.988 14.082 -0.408 1.00 72.01 H new ATOM 0 HE1 PHE A 89 -0.599 11.973 -1.082 1.00 61.11 H new ATOM 0 HE2 PHE A 89 -2.959 15.455 -0.450 1.00 15.11 H new ATOM 0 HZ PHE A 89 -0.766 14.410 -0.807 1.00 40.05 H new ATOM 1375 N GLU A 90 -7.593 9.659 -2.210 1.00 72.21 N ATOM 1376 CA GLU A 90 -8.719 8.700 -2.223 1.00 43.21 C ATOM 1377 C GLU A 90 -8.349 7.436 -3.023 1.00 62.32 C ATOM 1378 O GLU A 90 -8.753 6.326 -2.664 1.00 34.15 O ATOM 1379 CB GLU A 90 -9.982 9.355 -2.820 1.00 34.24 C ATOM 1380 CG GLU A 90 -10.461 10.606 -2.072 1.00 63.12 C ATOM 1381 CD GLU A 90 -10.905 10.323 -0.626 1.00 65.30 C ATOM 1382 OE1 GLU A 90 -12.049 9.839 -0.433 1.00 23.55 O ATOM 1383 OE2 GLU A 90 -10.132 10.593 0.324 1.00 33.42 O ATOM 0 H GLU A 90 -7.814 10.560 -2.634 1.00 72.21 H new ATOM 0 HA GLU A 90 -8.929 8.410 -1.193 1.00 43.21 H new ATOM 0 HB2 GLU A 90 -9.782 9.621 -3.858 1.00 34.24 H new ATOM 0 HB3 GLU A 90 -10.788 8.621 -2.829 1.00 34.24 H new ATOM 0 HG2 GLU A 90 -9.657 11.342 -2.060 1.00 63.12 H new ATOM 0 HG3 GLU A 90 -11.293 11.051 -2.619 1.00 63.12 H new ATOM 1390 N LEU A 91 -7.567 7.636 -4.103 1.00 13.23 N ATOM 1391 CA LEU A 91 -7.040 6.543 -4.941 1.00 33.21 C ATOM 1392 C LEU A 91 -5.989 5.707 -4.178 1.00 21.35 C ATOM 1393 O LEU A 91 -5.901 4.505 -4.402 1.00 1.02 O ATOM 1394 CB LEU A 91 -6.427 7.100 -6.257 1.00 23.32 C ATOM 1395 CG LEU A 91 -7.406 7.804 -7.248 1.00 4.23 C ATOM 1396 CD1 LEU A 91 -6.644 8.390 -8.464 1.00 54.10 C ATOM 1397 CD2 LEU A 91 -8.523 6.838 -7.697 1.00 63.41 C ATOM 0 H LEU A 91 -7.283 8.563 -4.418 1.00 13.23 H new ATOM 0 HA LEU A 91 -7.877 5.892 -5.193 1.00 33.21 H new ATOM 0 HB2 LEU A 91 -5.643 7.810 -5.993 1.00 23.32 H new ATOM 0 HB3 LEU A 91 -5.946 6.275 -6.783 1.00 23.32 H new ATOM 0 HG LEU A 91 -7.876 8.636 -6.724 1.00 4.23 H new ATOM 0 HD11 LEU A 91 -7.351 8.874 -9.137 1.00 54.10 H new ATOM 0 HD12 LEU A 91 -5.914 9.121 -8.118 1.00 54.10 H new ATOM 0 HD13 LEU A 91 -6.131 7.587 -8.993 1.00 54.10 H new ATOM 0 HD21 LEU A 91 -9.193 7.352 -8.387 1.00 63.41 H new ATOM 0 HD22 LEU A 91 -8.080 5.976 -8.195 1.00 63.41 H new ATOM 0 HD23 LEU A 91 -9.087 6.503 -6.826 1.00 63.41 H new ATOM 1409 N ILE A 92 -5.193 6.361 -3.301 1.00 55.14 N ATOM 1410 CA ILE A 92 -4.200 5.672 -2.432 1.00 62.10 C ATOM 1411 C ILE A 92 -4.926 4.842 -1.349 1.00 65.13 C ATOM 1412 O ILE A 92 -4.538 3.703 -1.059 1.00 40.51 O ATOM 1413 CB ILE A 92 -3.198 6.695 -1.752 1.00 20.00 C ATOM 1414 CG1 ILE A 92 -2.417 7.500 -2.841 1.00 22.41 C ATOM 1415 CG2 ILE A 92 -2.215 5.984 -0.776 1.00 34.21 C ATOM 1416 CD1 ILE A 92 -1.354 8.448 -2.313 1.00 32.22 C ATOM 0 H ILE A 92 -5.217 7.373 -3.173 1.00 55.14 H new ATOM 0 HA ILE A 92 -3.613 5.008 -3.067 1.00 62.10 H new ATOM 0 HB ILE A 92 -3.790 7.392 -1.160 1.00 20.00 H new ATOM 0 HG12 ILE A 92 -1.943 6.793 -3.521 1.00 22.41 H new ATOM 0 HG13 ILE A 92 -3.134 8.075 -3.427 1.00 22.41 H new ATOM 0 HG21 ILE A 92 -1.546 6.721 -0.332 1.00 34.21 H new ATOM 0 HG22 ILE A 92 -2.781 5.486 0.012 1.00 34.21 H new ATOM 0 HG23 ILE A 92 -1.629 5.246 -1.324 1.00 34.21 H new ATOM 0 HD11 ILE A 92 -0.872 8.956 -3.148 1.00 32.22 H new ATOM 0 HD12 ILE A 92 -1.817 9.186 -1.658 1.00 32.22 H new ATOM 0 HD13 ILE A 92 -0.608 7.883 -1.753 1.00 32.22 H new ATOM 1428 N LEU A 93 -5.993 5.429 -0.777 1.00 43.33 N ATOM 1429 CA LEU A 93 -6.834 4.783 0.253 1.00 21.22 C ATOM 1430 C LEU A 93 -7.548 3.548 -0.330 1.00 43.21 C ATOM 1431 O LEU A 93 -7.660 2.518 0.338 1.00 71.40 O ATOM 1432 CB LEU A 93 -7.863 5.805 0.819 1.00 21.14 C ATOM 1433 CG LEU A 93 -7.262 7.019 1.602 1.00 21.01 C ATOM 1434 CD1 LEU A 93 -8.350 8.065 1.933 1.00 53.52 C ATOM 1435 CD2 LEU A 93 -6.517 6.558 2.876 1.00 62.20 C ATOM 0 H LEU A 93 -6.300 6.372 -1.017 1.00 43.33 H new ATOM 0 HA LEU A 93 -6.196 4.447 1.070 1.00 21.22 H new ATOM 0 HB2 LEU A 93 -8.456 6.190 -0.010 1.00 21.14 H new ATOM 0 HB3 LEU A 93 -8.547 5.274 1.481 1.00 21.14 H new ATOM 0 HG LEU A 93 -6.530 7.499 0.953 1.00 21.01 H new ATOM 0 HD11 LEU A 93 -7.902 8.896 2.477 1.00 53.52 H new ATOM 0 HD12 LEU A 93 -8.794 8.434 1.008 1.00 53.52 H new ATOM 0 HD13 LEU A 93 -9.123 7.604 2.548 1.00 53.52 H new ATOM 0 HD21 LEU A 93 -6.112 7.427 3.395 1.00 62.20 H new ATOM 0 HD22 LEU A 93 -7.210 6.033 3.533 1.00 62.20 H new ATOM 0 HD23 LEU A 93 -5.702 5.889 2.599 1.00 62.20 H new ATOM 1447 N ALA A 94 -8.000 3.673 -1.593 1.00 53.42 N ATOM 1448 CA ALA A 94 -8.649 2.579 -2.344 1.00 63.32 C ATOM 1449 C ALA A 94 -7.617 1.530 -2.788 1.00 41.43 C ATOM 1450 O ALA A 94 -7.913 0.342 -2.822 1.00 31.12 O ATOM 1451 CB ALA A 94 -9.394 3.143 -3.562 1.00 44.34 C ATOM 0 H ALA A 94 -7.925 4.540 -2.124 1.00 53.42 H new ATOM 0 HA ALA A 94 -9.367 2.091 -1.685 1.00 63.32 H new ATOM 0 HB1 ALA A 94 -9.868 2.328 -4.108 1.00 44.34 H new ATOM 0 HB2 ALA A 94 -10.156 3.848 -3.228 1.00 44.34 H new ATOM 0 HB3 ALA A 94 -8.688 3.655 -4.216 1.00 44.34 H new ATOM 1457 N ALA A 95 -6.401 1.994 -3.111 1.00 61.22 N ATOM 1458 CA ALA A 95 -5.289 1.126 -3.545 1.00 32.04 C ATOM 1459 C ALA A 95 -4.760 0.272 -2.388 1.00 75.53 C ATOM 1460 O ALA A 95 -4.216 -0.800 -2.618 1.00 44.41 O ATOM 1461 CB ALA A 95 -4.155 1.966 -4.128 1.00 53.44 C ATOM 0 H ALA A 95 -6.157 2.984 -3.080 1.00 61.22 H new ATOM 0 HA ALA A 95 -5.674 0.457 -4.314 1.00 32.04 H new ATOM 0 HB1 ALA A 95 -3.342 1.312 -4.443 1.00 53.44 H new ATOM 0 HB2 ALA A 95 -4.523 2.528 -4.987 1.00 53.44 H new ATOM 0 HB3 ALA A 95 -3.789 2.659 -3.371 1.00 53.44 H new ATOM 1467 N ASN A 96 -4.870 0.807 -1.160 1.00 5.41 N ATOM 1468 CA ASN A 96 -4.535 0.084 0.085 1.00 70.45 C ATOM 1469 C ASN A 96 -5.697 -0.855 0.480 1.00 14.22 C ATOM 1470 O ASN A 96 -5.476 -2.009 0.864 1.00 40.53 O ATOM 1471 CB ASN A 96 -4.224 1.110 1.217 1.00 32.13 C ATOM 1472 CG ASN A 96 -3.874 0.478 2.576 1.00 5.33 C ATOM 1473 OD1 ASN A 96 -3.323 -0.623 2.656 1.00 43.41 O ATOM 1474 ND2 ASN A 96 -4.154 1.187 3.653 1.00 72.45 N ATOM 0 H ASN A 96 -5.196 1.760 -0.999 1.00 5.41 H new ATOM 0 HA ASN A 96 -3.648 -0.530 -0.074 1.00 70.45 H new ATOM 0 HB2 ASN A 96 -3.393 1.741 0.900 1.00 32.13 H new ATOM 0 HB3 ASN A 96 -5.088 1.762 1.346 1.00 32.13 H new ATOM 0 HD21 ASN A 96 -3.914 0.827 4.577 1.00 72.45 H new ATOM 0 HD22 ASN A 96 -4.610 2.095 3.562 1.00 72.45 H new ATOM 1481 N TYR A 97 -6.937 -0.342 0.343 1.00 0.03 N ATOM 1482 CA TYR A 97 -8.180 -1.078 0.690 1.00 4.42 C ATOM 1483 C TYR A 97 -8.362 -2.336 -0.193 1.00 61.00 C ATOM 1484 O TYR A 97 -8.868 -3.357 0.277 1.00 4.20 O ATOM 1485 CB TYR A 97 -9.416 -0.131 0.572 1.00 62.22 C ATOM 1486 CG TYR A 97 -10.791 -0.820 0.706 1.00 14.41 C ATOM 1487 CD1 TYR A 97 -11.680 -0.882 -0.376 1.00 32.35 C ATOM 1488 CD2 TYR A 97 -11.190 -1.431 1.903 1.00 61.41 C ATOM 1489 CE1 TYR A 97 -12.897 -1.522 -0.273 1.00 74.42 C ATOM 1490 CE2 TYR A 97 -12.414 -2.070 2.005 1.00 21.02 C ATOM 1491 CZ TYR A 97 -13.264 -2.113 0.914 1.00 22.14 C ATOM 1492 OH TYR A 97 -14.483 -2.753 1.010 1.00 41.42 O ATOM 0 H TYR A 97 -7.110 0.598 -0.013 1.00 0.03 H new ATOM 0 HA TYR A 97 -8.095 -1.417 1.722 1.00 4.42 H new ATOM 0 HB2 TYR A 97 -9.338 0.639 1.340 1.00 62.22 H new ATOM 0 HB3 TYR A 97 -9.374 0.375 -0.392 1.00 62.22 H new ATOM 0 HD1 TYR A 97 -11.405 -0.418 -1.312 1.00 32.35 H new ATOM 0 HD2 TYR A 97 -10.532 -1.403 2.759 1.00 61.41 H new ATOM 0 HE1 TYR A 97 -13.562 -1.559 -1.123 1.00 74.42 H new ATOM 0 HE2 TYR A 97 -12.705 -2.535 2.935 1.00 21.02 H new ATOM 0 HH TYR A 97 -14.590 -3.118 1.913 1.00 41.42 H new ATOM 1502 N LEU A 98 -7.966 -2.239 -1.473 1.00 70.24 N ATOM 1503 CA LEU A 98 -8.028 -3.370 -2.426 1.00 33.10 C ATOM 1504 C LEU A 98 -6.670 -4.095 -2.495 1.00 73.24 C ATOM 1505 O LEU A 98 -6.599 -5.250 -2.914 1.00 22.11 O ATOM 1506 CB LEU A 98 -8.417 -2.864 -3.841 1.00 63.33 C ATOM 1507 CG LEU A 98 -9.727 -2.026 -3.948 1.00 35.53 C ATOM 1508 CD1 LEU A 98 -10.021 -1.649 -5.412 1.00 74.43 C ATOM 1509 CD2 LEU A 98 -10.921 -2.748 -3.308 1.00 12.30 C ATOM 0 H LEU A 98 -7.595 -1.380 -1.879 1.00 70.24 H new ATOM 0 HA LEU A 98 -8.787 -4.069 -2.073 1.00 33.10 H new ATOM 0 HB2 LEU A 98 -7.594 -2.260 -4.225 1.00 63.33 H new ATOM 0 HB3 LEU A 98 -8.511 -3.729 -4.498 1.00 63.33 H new ATOM 0 HG LEU A 98 -9.572 -1.105 -3.387 1.00 35.53 H new ATOM 0 HD11 LEU A 98 -10.940 -1.065 -5.460 1.00 74.43 H new ATOM 0 HD12 LEU A 98 -9.195 -1.059 -5.809 1.00 74.43 H new ATOM 0 HD13 LEU A 98 -10.137 -2.556 -6.005 1.00 74.43 H new ATOM 0 HD21 LEU A 98 -11.814 -2.130 -3.404 1.00 12.30 H new ATOM 0 HD22 LEU A 98 -11.083 -3.701 -3.812 1.00 12.30 H new ATOM 0 HD23 LEU A 98 -10.715 -2.926 -2.253 1.00 12.30 H new ATOM 1521 N ASP A 99 -5.624 -3.382 -2.053 1.00 52.12 N ATOM 1522 CA ASP A 99 -4.217 -3.804 -2.118 1.00 70.31 C ATOM 1523 C ASP A 99 -3.822 -4.278 -3.533 1.00 13.42 C ATOM 1524 O ASP A 99 -3.611 -5.466 -3.782 1.00 70.54 O ATOM 1525 CB ASP A 99 -3.857 -4.848 -1.022 1.00 11.32 C ATOM 1526 CG ASP A 99 -2.338 -5.093 -0.885 1.00 64.44 C ATOM 1527 OD1 ASP A 99 -1.541 -4.145 -1.096 1.00 21.41 O ATOM 1528 OD2 ASP A 99 -1.932 -6.203 -0.487 1.00 20.44 O ATOM 0 H ASP A 99 -5.738 -2.463 -1.625 1.00 52.12 H new ATOM 0 HA ASP A 99 -3.616 -2.920 -1.903 1.00 70.31 H new ATOM 0 HB2 ASP A 99 -4.251 -4.509 -0.064 1.00 11.32 H new ATOM 0 HB3 ASP A 99 -4.351 -5.792 -1.253 1.00 11.32 H new ATOM 1533 N ILE A 100 -3.786 -3.325 -4.470 1.00 71.31 N ATOM 1534 CA ILE A 100 -3.326 -3.573 -5.846 1.00 14.10 C ATOM 1535 C ILE A 100 -1.924 -2.975 -5.977 1.00 51.23 C ATOM 1536 O ILE A 100 -1.768 -1.757 -5.887 1.00 61.24 O ATOM 1537 CB ILE A 100 -4.278 -2.943 -6.922 1.00 3.43 C ATOM 1538 CG1 ILE A 100 -5.757 -3.336 -6.645 1.00 5.44 C ATOM 1539 CG2 ILE A 100 -3.842 -3.377 -8.342 1.00 51.25 C ATOM 1540 CD1 ILE A 100 -6.765 -2.808 -7.649 1.00 33.34 C ATOM 0 H ILE A 100 -4.074 -2.361 -4.300 1.00 71.31 H new ATOM 0 HA ILE A 100 -3.323 -4.648 -6.029 1.00 14.10 H new ATOM 0 HB ILE A 100 -4.205 -1.857 -6.860 1.00 3.43 H new ATOM 0 HG12 ILE A 100 -5.829 -4.423 -6.620 1.00 5.44 H new ATOM 0 HG13 ILE A 100 -6.032 -2.976 -5.654 1.00 5.44 H new ATOM 0 HG21 ILE A 100 -4.511 -2.933 -9.080 1.00 51.25 H new ATOM 0 HG22 ILE A 100 -2.822 -3.041 -8.528 1.00 51.25 H new ATOM 0 HG23 ILE A 100 -3.886 -4.463 -8.420 1.00 51.25 H new ATOM 0 HD11 ILE A 100 -7.765 -3.137 -7.367 1.00 33.34 H new ATOM 0 HD12 ILE A 100 -6.731 -1.719 -7.660 1.00 33.34 H new ATOM 0 HD13 ILE A 100 -6.524 -3.189 -8.641 1.00 33.34 H new ATOM 1552 N LYS A 101 -0.921 -3.837 -6.194 1.00 73.22 N ATOM 1553 CA LYS A 101 0.503 -3.447 -6.153 1.00 52.53 C ATOM 1554 C LYS A 101 0.877 -2.408 -7.259 1.00 31.33 C ATOM 1555 O LYS A 101 1.486 -1.385 -6.928 1.00 74.31 O ATOM 1556 CB LYS A 101 1.431 -4.708 -6.196 1.00 3.24 C ATOM 1557 CG LYS A 101 0.993 -5.895 -5.282 1.00 54.32 C ATOM 1558 CD LYS A 101 0.567 -5.487 -3.853 1.00 42.45 C ATOM 1559 CE LYS A 101 1.683 -4.808 -3.046 1.00 2.52 C ATOM 1560 NZ LYS A 101 1.153 -4.255 -1.781 1.00 42.13 N ATOM 0 H LYS A 101 -1.069 -4.824 -6.403 1.00 73.22 H new ATOM 0 HA LYS A 101 0.668 -2.942 -5.201 1.00 52.53 H new ATOM 0 HB2 LYS A 101 1.483 -5.064 -7.225 1.00 3.24 H new ATOM 0 HB3 LYS A 101 2.439 -4.406 -5.912 1.00 3.24 H new ATOM 0 HG2 LYS A 101 0.163 -6.416 -5.759 1.00 54.32 H new ATOM 0 HG3 LYS A 101 1.817 -6.605 -5.212 1.00 54.32 H new ATOM 0 HD2 LYS A 101 -0.286 -4.811 -3.917 1.00 42.45 H new ATOM 0 HD3 LYS A 101 0.231 -6.374 -3.316 1.00 42.45 H new ATOM 0 HE2 LYS A 101 2.472 -5.528 -2.831 1.00 2.52 H new ATOM 0 HE3 LYS A 101 2.132 -4.010 -3.637 1.00 2.52 H new ATOM 0 HZ1 LYS A 101 1.829 -3.566 -1.393 1.00 42.13 H new ATOM 0 HZ2 LYS A 101 0.244 -3.784 -1.962 1.00 42.13 H new ATOM 0 HZ3 LYS A 101 1.013 -5.026 -1.097 1.00 42.13 H new ATOM 1574 N PRO A 102 0.501 -2.615 -8.583 1.00 62.12 N ATOM 1575 CA PRO A 102 0.748 -1.594 -9.640 1.00 53.25 C ATOM 1576 C PRO A 102 0.028 -0.247 -9.369 1.00 60.10 C ATOM 1577 O PRO A 102 0.640 0.816 -9.497 1.00 24.05 O ATOM 1578 CB PRO A 102 0.215 -2.262 -10.945 1.00 15.34 C ATOM 1579 CG PRO A 102 -0.705 -3.351 -10.479 1.00 11.53 C ATOM 1580 CD PRO A 102 -0.127 -3.837 -9.172 1.00 34.33 C ATOM 0 HA PRO A 102 1.804 -1.328 -9.692 1.00 53.25 H new ATOM 0 HB2 PRO A 102 -0.312 -1.541 -11.570 1.00 15.34 H new ATOM 0 HB3 PRO A 102 1.032 -2.665 -11.543 1.00 15.34 H new ATOM 0 HG2 PRO A 102 -1.720 -2.976 -10.344 1.00 11.53 H new ATOM 0 HG3 PRO A 102 -0.758 -4.159 -11.209 1.00 11.53 H new ATOM 0 HD2 PRO A 102 -0.900 -4.244 -8.520 1.00 34.33 H new ATOM 0 HD3 PRO A 102 0.607 -4.628 -9.329 1.00 34.33 H new ATOM 1588 N LEU A 103 -1.256 -0.317 -8.949 1.00 12.22 N ATOM 1589 CA LEU A 103 -2.114 0.875 -8.749 1.00 13.20 C ATOM 1590 C LEU A 103 -1.534 1.747 -7.624 1.00 64.43 C ATOM 1591 O LEU A 103 -1.311 2.948 -7.808 1.00 24.11 O ATOM 1592 CB LEU A 103 -3.582 0.426 -8.424 1.00 51.00 C ATOM 1593 CG LEU A 103 -4.752 1.457 -8.659 1.00 42.02 C ATOM 1594 CD1 LEU A 103 -4.764 2.641 -7.666 1.00 22.35 C ATOM 1595 CD2 LEU A 103 -4.755 1.956 -10.111 1.00 21.35 C ATOM 0 H LEU A 103 -1.726 -1.198 -8.740 1.00 12.22 H new ATOM 0 HA LEU A 103 -2.137 1.469 -9.663 1.00 13.20 H new ATOM 0 HB2 LEU A 103 -3.797 -0.461 -9.019 1.00 51.00 H new ATOM 0 HB3 LEU A 103 -3.612 0.123 -7.377 1.00 51.00 H new ATOM 0 HG LEU A 103 -5.673 0.907 -8.465 1.00 42.02 H new ATOM 0 HD11 LEU A 103 -5.599 3.302 -7.898 1.00 22.35 H new ATOM 0 HD12 LEU A 103 -4.872 2.262 -6.650 1.00 22.35 H new ATOM 0 HD13 LEU A 103 -3.829 3.195 -7.749 1.00 22.35 H new ATOM 0 HD21 LEU A 103 -5.570 2.666 -10.250 1.00 21.35 H new ATOM 0 HD22 LEU A 103 -3.806 2.446 -10.329 1.00 21.35 H new ATOM 0 HD23 LEU A 103 -4.891 1.111 -10.786 1.00 21.35 H new ATOM 1607 N LEU A 104 -1.261 1.094 -6.484 1.00 4.22 N ATOM 1608 CA LEU A 104 -0.739 1.738 -5.266 1.00 72.32 C ATOM 1609 C LEU A 104 0.595 2.434 -5.549 1.00 14.23 C ATOM 1610 O LEU A 104 0.797 3.589 -5.159 1.00 55.40 O ATOM 1611 CB LEU A 104 -0.562 0.679 -4.139 1.00 23.33 C ATOM 1612 CG LEU A 104 -0.037 1.195 -2.761 1.00 40.33 C ATOM 1613 CD1 LEU A 104 -1.001 2.233 -2.131 1.00 51.51 C ATOM 1614 CD2 LEU A 104 0.223 0.006 -1.805 1.00 53.04 C ATOM 0 H LEU A 104 -1.398 0.089 -6.380 1.00 4.22 H new ATOM 0 HA LEU A 104 -1.456 2.491 -4.939 1.00 72.32 H new ATOM 0 HB2 LEU A 104 -1.524 0.194 -3.975 1.00 23.33 H new ATOM 0 HB3 LEU A 104 0.125 -0.087 -4.498 1.00 23.33 H new ATOM 0 HG LEU A 104 0.909 1.709 -2.931 1.00 40.33 H new ATOM 0 HD11 LEU A 104 -0.601 2.567 -1.174 1.00 51.51 H new ATOM 0 HD12 LEU A 104 -1.103 3.087 -2.800 1.00 51.51 H new ATOM 0 HD13 LEU A 104 -1.978 1.775 -1.975 1.00 51.51 H new ATOM 0 HD21 LEU A 104 0.588 0.381 -0.849 1.00 53.04 H new ATOM 0 HD22 LEU A 104 -0.705 -0.544 -1.648 1.00 53.04 H new ATOM 0 HD23 LEU A 104 0.969 -0.657 -2.244 1.00 53.04 H new ATOM 1626 N ASP A 105 1.471 1.724 -6.279 1.00 11.40 N ATOM 1627 CA ASP A 105 2.830 2.191 -6.574 1.00 52.14 C ATOM 1628 C ASP A 105 2.798 3.452 -7.453 1.00 22.32 C ATOM 1629 O ASP A 105 3.395 4.467 -7.102 1.00 20.12 O ATOM 1630 CB ASP A 105 3.649 1.064 -7.250 1.00 13.42 C ATOM 1631 CG ASP A 105 5.133 1.430 -7.416 1.00 53.41 C ATOM 1632 OD1 ASP A 105 5.894 1.303 -6.428 1.00 30.03 O ATOM 1633 OD2 ASP A 105 5.538 1.883 -8.509 1.00 35.02 O ATOM 0 H ASP A 105 1.254 0.811 -6.680 1.00 11.40 H new ATOM 0 HA ASP A 105 3.317 2.454 -5.635 1.00 52.14 H new ATOM 0 HB2 ASP A 105 3.567 0.154 -6.656 1.00 13.42 H new ATOM 0 HB3 ASP A 105 3.221 0.845 -8.228 1.00 13.42 H new ATOM 1638 N VAL A 106 2.048 3.379 -8.565 1.00 11.21 N ATOM 1639 CA VAL A 106 1.891 4.498 -9.524 1.00 21.22 C ATOM 1640 C VAL A 106 1.325 5.760 -8.831 1.00 64.01 C ATOM 1641 O VAL A 106 1.865 6.858 -9.002 1.00 3.11 O ATOM 1642 CB VAL A 106 0.978 4.068 -10.739 1.00 64.44 C ATOM 1643 CG1 VAL A 106 0.557 5.263 -11.634 1.00 24.31 C ATOM 1644 CG2 VAL A 106 1.682 2.978 -11.581 1.00 60.14 C ATOM 0 H VAL A 106 1.530 2.542 -8.830 1.00 11.21 H new ATOM 0 HA VAL A 106 2.880 4.748 -9.908 1.00 21.22 H new ATOM 0 HB VAL A 106 0.060 3.661 -10.315 1.00 64.44 H new ATOM 0 HG11 VAL A 106 -0.069 4.903 -12.451 1.00 24.31 H new ATOM 0 HG12 VAL A 106 -0.003 5.984 -11.039 1.00 24.31 H new ATOM 0 HG13 VAL A 106 1.446 5.743 -12.042 1.00 24.31 H new ATOM 0 HG21 VAL A 106 1.041 2.692 -12.415 1.00 60.14 H new ATOM 0 HG22 VAL A 106 2.625 3.367 -11.965 1.00 60.14 H new ATOM 0 HG23 VAL A 106 1.877 2.106 -10.957 1.00 60.14 H new ATOM 1654 N THR A 107 0.271 5.576 -8.012 1.00 42.41 N ATOM 1655 CA THR A 107 -0.443 6.690 -7.346 1.00 71.51 C ATOM 1656 C THR A 107 0.401 7.320 -6.203 1.00 0.11 C ATOM 1657 O THR A 107 0.314 8.530 -5.951 1.00 21.33 O ATOM 1658 CB THR A 107 -1.833 6.209 -6.809 1.00 20.00 C ATOM 1659 OG1 THR A 107 -2.512 5.478 -7.838 1.00 62.32 O ATOM 1660 CG2 THR A 107 -2.733 7.382 -6.384 1.00 15.41 C ATOM 0 H THR A 107 -0.110 4.656 -7.792 1.00 42.41 H new ATOM 0 HA THR A 107 -0.606 7.467 -8.093 1.00 71.51 H new ATOM 0 HB THR A 107 -1.642 5.586 -5.935 1.00 20.00 H new ATOM 0 HG1 THR A 107 -2.144 4.571 -7.893 1.00 62.32 H new ATOM 0 HG21 THR A 107 -3.685 6.997 -6.019 1.00 15.41 H new ATOM 0 HG22 THR A 107 -2.243 7.948 -5.592 1.00 15.41 H new ATOM 0 HG23 THR A 107 -2.909 8.034 -7.240 1.00 15.41 H new ATOM 1668 N CYS A 108 1.223 6.496 -5.525 1.00 51.21 N ATOM 1669 CA CYS A 108 2.158 6.976 -4.480 1.00 62.42 C ATOM 1670 C CYS A 108 3.312 7.776 -5.124 1.00 65.21 C ATOM 1671 O CYS A 108 3.730 8.814 -4.598 1.00 1.23 O ATOM 1672 CB CYS A 108 2.708 5.793 -3.647 1.00 23.33 C ATOM 1673 SG CYS A 108 1.451 4.944 -2.664 1.00 41.03 S ATOM 0 H CYS A 108 1.261 5.489 -5.681 1.00 51.21 H new ATOM 0 HA CYS A 108 1.613 7.636 -3.805 1.00 62.42 H new ATOM 0 HB2 CYS A 108 3.176 5.074 -4.320 1.00 23.33 H new ATOM 0 HB3 CYS A 108 3.488 6.162 -2.981 1.00 23.33 H new ATOM 0 HG CYS A 108 0.793 4.117 -3.421 1.00 41.03 H new ATOM 1679 N LYS A 109 3.787 7.287 -6.287 1.00 3.35 N ATOM 1680 CA LYS A 109 4.824 7.964 -7.097 1.00 53.34 C ATOM 1681 C LYS A 109 4.288 9.280 -7.684 1.00 32.21 C ATOM 1682 O LYS A 109 5.062 10.205 -7.886 1.00 72.11 O ATOM 1683 CB LYS A 109 5.383 7.026 -8.226 1.00 65.04 C ATOM 1684 CG LYS A 109 6.614 6.163 -7.824 1.00 62.32 C ATOM 1685 CD LYS A 109 6.372 5.301 -6.567 1.00 35.14 C ATOM 1686 CE LYS A 109 7.563 4.399 -6.229 1.00 30.34 C ATOM 1687 NZ LYS A 109 7.854 3.430 -7.319 1.00 73.11 N ATOM 0 H LYS A 109 3.463 6.409 -6.693 1.00 3.35 H new ATOM 0 HA LYS A 109 5.655 8.202 -6.434 1.00 53.34 H new ATOM 0 HB2 LYS A 109 4.584 6.360 -8.551 1.00 65.04 H new ATOM 0 HB3 LYS A 109 5.655 7.640 -9.084 1.00 65.04 H new ATOM 0 HG2 LYS A 109 6.880 5.512 -8.657 1.00 62.32 H new ATOM 0 HG3 LYS A 109 7.467 6.819 -7.648 1.00 62.32 H new ATOM 0 HD2 LYS A 109 6.164 5.953 -5.719 1.00 35.14 H new ATOM 0 HD3 LYS A 109 5.486 4.684 -6.720 1.00 35.14 H new ATOM 0 HE2 LYS A 109 8.444 5.015 -6.046 1.00 30.34 H new ATOM 0 HE3 LYS A 109 7.357 3.856 -5.307 1.00 30.34 H new ATOM 0 HZ1 LYS A 109 8.183 2.533 -6.908 1.00 73.11 H new ATOM 0 HZ2 LYS A 109 6.990 3.261 -7.873 1.00 73.11 H new ATOM 0 HZ3 LYS A 109 8.593 3.818 -7.940 1.00 73.11 H new ATOM 1701 N THR A 110 2.967 9.341 -7.957 1.00 34.00 N ATOM 1702 CA THR A 110 2.297 10.573 -8.417 1.00 13.04 C ATOM 1703 C THR A 110 2.507 11.719 -7.397 1.00 22.32 C ATOM 1704 O THR A 110 2.888 12.835 -7.776 1.00 52.21 O ATOM 1705 CB THR A 110 0.766 10.329 -8.661 1.00 74.04 C ATOM 1706 OG1 THR A 110 0.585 9.291 -9.638 1.00 41.31 O ATOM 1707 CG2 THR A 110 0.031 11.599 -9.135 1.00 30.12 C ATOM 0 H THR A 110 2.340 8.542 -7.865 1.00 34.00 H new ATOM 0 HA THR A 110 2.747 10.864 -9.366 1.00 13.04 H new ATOM 0 HB THR A 110 0.337 10.034 -7.704 1.00 74.04 H new ATOM 0 HG1 THR A 110 0.435 9.693 -10.519 1.00 41.31 H new ATOM 0 HG21 THR A 110 -1.024 11.373 -9.288 1.00 30.12 H new ATOM 0 HG22 THR A 110 0.129 12.379 -8.380 1.00 30.12 H new ATOM 0 HG23 THR A 110 0.468 11.944 -10.072 1.00 30.12 H new ATOM 1715 N VAL A 111 2.317 11.403 -6.096 1.00 73.03 N ATOM 1716 CA VAL A 111 2.508 12.383 -5.005 1.00 2.11 C ATOM 1717 C VAL A 111 4.002 12.688 -4.818 1.00 62.20 C ATOM 1718 O VAL A 111 4.393 13.847 -4.615 1.00 45.24 O ATOM 1719 CB VAL A 111 1.920 11.898 -3.628 1.00 55.44 C ATOM 1720 CG1 VAL A 111 1.895 13.056 -2.610 1.00 44.40 C ATOM 1721 CG2 VAL A 111 0.528 11.271 -3.790 1.00 2.23 C ATOM 0 H VAL A 111 2.032 10.477 -5.777 1.00 73.03 H new ATOM 0 HA VAL A 111 1.963 13.278 -5.305 1.00 2.11 H new ATOM 0 HB VAL A 111 2.578 11.118 -3.244 1.00 55.44 H new ATOM 0 HG11 VAL A 111 1.485 12.701 -1.665 1.00 44.40 H new ATOM 0 HG12 VAL A 111 2.909 13.423 -2.451 1.00 44.40 H new ATOM 0 HG13 VAL A 111 1.273 13.865 -2.994 1.00 44.40 H new ATOM 0 HG21 VAL A 111 0.158 10.950 -2.816 1.00 2.23 H new ATOM 0 HG22 VAL A 111 -0.156 12.007 -4.213 1.00 2.23 H new ATOM 0 HG23 VAL A 111 0.592 10.410 -4.456 1.00 2.23 H new ATOM 1731 N ALA A 112 4.820 11.623 -4.905 1.00 3.31 N ATOM 1732 CA ALA A 112 6.277 11.704 -4.732 1.00 44.00 C ATOM 1733 C ALA A 112 6.922 12.601 -5.810 1.00 13.23 C ATOM 1734 O ALA A 112 7.937 13.249 -5.550 1.00 73.53 O ATOM 1735 CB ALA A 112 6.889 10.300 -4.753 1.00 51.32 C ATOM 0 H ALA A 112 4.485 10.679 -5.098 1.00 3.31 H new ATOM 0 HA ALA A 112 6.480 12.160 -3.763 1.00 44.00 H new ATOM 0 HB1 ALA A 112 7.969 10.372 -4.624 1.00 51.32 H new ATOM 0 HB2 ALA A 112 6.466 9.706 -3.943 1.00 51.32 H new ATOM 0 HB3 ALA A 112 6.669 9.821 -5.707 1.00 51.32 H new ATOM 1741 N ASN A 113 6.301 12.638 -7.009 1.00 64.21 N ATOM 1742 CA ASN A 113 6.734 13.502 -8.132 1.00 63.31 C ATOM 1743 C ASN A 113 6.436 14.978 -7.834 1.00 70.14 C ATOM 1744 O ASN A 113 7.198 15.851 -8.239 1.00 71.41 O ATOM 1745 CB ASN A 113 6.038 13.096 -9.469 1.00 12.34 C ATOM 1746 CG ASN A 113 6.549 11.777 -10.069 1.00 21.44 C ATOM 1747 OD1 ASN A 113 7.712 11.410 -9.902 1.00 21.42 O ATOM 1748 ND2 ASN A 113 5.683 11.068 -10.789 1.00 23.31 N ATOM 0 H ASN A 113 5.483 12.069 -7.227 1.00 64.21 H new ATOM 0 HA ASN A 113 7.810 13.365 -8.242 1.00 63.31 H new ATOM 0 HB2 ASN A 113 4.965 13.012 -9.296 1.00 12.34 H new ATOM 0 HB3 ASN A 113 6.182 13.894 -10.198 1.00 12.34 H new ATOM 0 HD21 ASN A 113 5.976 10.192 -11.222 1.00 23.31 H new ATOM 0 HD22 ASN A 113 4.726 11.400 -10.908 1.00 23.31 H new ATOM 1755 N MET A 114 5.323 15.240 -7.128 1.00 62.22 N ATOM 1756 CA MET A 114 4.892 16.617 -6.794 1.00 13.33 C ATOM 1757 C MET A 114 5.841 17.261 -5.759 1.00 23.42 C ATOM 1758 O MET A 114 6.074 18.473 -5.793 1.00 41.25 O ATOM 1759 CB MET A 114 3.426 16.635 -6.267 1.00 40.32 C ATOM 1760 CG MET A 114 2.387 16.025 -7.226 1.00 63.41 C ATOM 1761 SD MET A 114 0.676 16.322 -6.714 1.00 42.14 S ATOM 1762 CE MET A 114 0.640 15.741 -5.014 1.00 34.42 C ATOM 0 H MET A 114 4.699 14.515 -6.774 1.00 62.22 H new ATOM 0 HA MET A 114 4.934 17.204 -7.711 1.00 13.33 H new ATOM 0 HB2 MET A 114 3.388 16.094 -5.321 1.00 40.32 H new ATOM 0 HB3 MET A 114 3.143 17.666 -6.056 1.00 40.32 H new ATOM 0 HG2 MET A 114 2.537 16.438 -8.223 1.00 63.41 H new ATOM 0 HG3 MET A 114 2.556 14.951 -7.297 1.00 63.41 H new ATOM 0 HE1 MET A 114 -0.064 14.913 -4.927 1.00 34.42 H new ATOM 0 HE2 MET A 114 1.635 15.403 -4.724 1.00 34.42 H new ATOM 0 HE3 MET A 114 0.327 16.554 -4.358 1.00 34.42 H new ATOM 1772 N ILE A 115 6.385 16.430 -4.844 1.00 21.11 N ATOM 1773 CA ILE A 115 7.300 16.897 -3.771 1.00 22.53 C ATOM 1774 C ILE A 115 8.786 16.636 -4.120 1.00 64.05 C ATOM 1775 O ILE A 115 9.673 17.022 -3.351 1.00 23.11 O ATOM 1776 CB ILE A 115 6.963 16.216 -2.386 1.00 63.51 C ATOM 1777 CG1 ILE A 115 7.198 14.668 -2.454 1.00 72.51 C ATOM 1778 CG2 ILE A 115 5.512 16.545 -1.945 1.00 52.12 C ATOM 1779 CD1 ILE A 115 7.120 13.946 -1.123 1.00 3.01 C ATOM 0 H ILE A 115 6.207 15.426 -4.824 1.00 21.11 H new ATOM 0 HA ILE A 115 7.147 17.973 -3.687 1.00 22.53 H new ATOM 0 HB ILE A 115 7.639 16.623 -1.634 1.00 63.51 H new ATOM 0 HG12 ILE A 115 6.461 14.234 -3.129 1.00 72.51 H new ATOM 0 HG13 ILE A 115 8.179 14.484 -2.892 1.00 72.51 H new ATOM 0 HG21 ILE A 115 5.305 16.065 -0.989 1.00 52.12 H new ATOM 0 HG22 ILE A 115 5.399 17.624 -1.841 1.00 52.12 H new ATOM 0 HG23 ILE A 115 4.812 16.178 -2.695 1.00 52.12 H new ATOM 0 HD11 ILE A 115 7.296 12.881 -1.276 1.00 3.01 H new ATOM 0 HD12 ILE A 115 7.876 14.346 -0.447 1.00 3.01 H new ATOM 0 HD13 ILE A 115 6.131 14.091 -0.688 1.00 3.01 H new ATOM 1791 N ARG A 116 9.036 15.993 -5.278 1.00 11.12 N ATOM 1792 CA ARG A 116 10.369 15.480 -5.671 1.00 1.01 C ATOM 1793 C ARG A 116 11.439 16.591 -5.705 1.00 65.52 C ATOM 1794 O ARG A 116 12.484 16.489 -5.048 1.00 51.25 O ATOM 1795 CB ARG A 116 10.290 14.811 -7.074 1.00 74.02 C ATOM 1796 CG ARG A 116 11.559 14.025 -7.500 1.00 52.15 C ATOM 1797 CD ARG A 116 11.667 13.850 -9.025 1.00 51.03 C ATOM 1798 NE ARG A 116 11.849 15.149 -9.704 1.00 54.02 N ATOM 1799 CZ ARG A 116 12.072 15.318 -11.018 1.00 75.32 C ATOM 1800 NH1 ARG A 116 12.144 14.277 -11.846 1.00 54.31 N ATOM 1801 NH2 ARG A 116 12.239 16.544 -11.487 1.00 13.03 N ATOM 0 H ARG A 116 8.313 15.812 -5.975 1.00 11.12 H new ATOM 0 HA ARG A 116 10.664 14.750 -4.917 1.00 1.01 H new ATOM 0 HB2 ARG A 116 9.438 14.131 -7.088 1.00 74.02 H new ATOM 0 HB3 ARG A 116 10.093 15.583 -7.817 1.00 74.02 H new ATOM 0 HG2 ARG A 116 12.444 14.547 -7.135 1.00 52.15 H new ATOM 0 HG3 ARG A 116 11.549 13.044 -7.026 1.00 52.15 H new ATOM 0 HD2 ARG A 116 12.506 13.194 -9.259 1.00 51.03 H new ATOM 0 HD3 ARG A 116 10.767 13.363 -9.402 1.00 51.03 H new ATOM 0 HE ARG A 116 11.801 15.989 -9.127 1.00 54.02 H new ATOM 0 HH11 ARG A 116 12.029 13.330 -11.486 1.00 54.31 H new ATOM 0 HH12 ARG A 116 12.314 14.427 -12.840 1.00 54.31 H new ATOM 0 HH21 ARG A 116 12.197 17.342 -10.854 1.00 13.03 H new ATOM 0 HH22 ARG A 116 12.409 16.691 -12.482 1.00 13.03 H new ATOM 1815 N GLY A 117 11.146 17.644 -6.475 1.00 51.24 N ATOM 1816 CA GLY A 117 12.111 18.697 -6.788 1.00 34.51 C ATOM 1817 C GLY A 117 12.057 19.034 -8.273 1.00 12.04 C ATOM 1818 O GLY A 117 11.378 20.015 -8.659 1.00 45.13 O ATOM 1819 OXT GLY A 117 12.623 18.260 -9.075 1.00 38.17 O ATOM 0 H GLY A 117 10.229 17.788 -6.899 1.00 51.24 H new ATOM 0 HA2 GLY A 117 11.894 19.587 -6.197 1.00 34.51 H new ATOM 0 HA3 GLY A 117 13.116 18.372 -6.517 1.00 34.51 H new TER 1823 GLY A 117 ATOM 1824 N SER B 2 14.787 -15.131 16.197 1.00 13.43 N ATOM 1825 CA SER B 2 16.137 -14.531 16.159 1.00 63.32 C ATOM 1826 C SER B 2 16.128 -13.235 15.327 1.00 31.03 C ATOM 1827 O SER B 2 15.179 -12.979 14.570 1.00 32.51 O ATOM 1828 CB SER B 2 17.149 -15.557 15.596 1.00 4.32 C ATOM 1829 OG SER B 2 17.077 -16.787 16.308 1.00 62.43 O ATOM 0 HA SER B 2 16.443 -14.269 17.172 1.00 63.32 H new ATOM 0 HB2 SER B 2 16.946 -15.732 14.539 1.00 4.32 H new ATOM 0 HB3 SER B 2 18.159 -15.152 15.664 1.00 4.32 H new ATOM 0 HG SER B 2 16.180 -16.893 16.688 1.00 62.43 H new ATOM 1837 N LEU B 3 17.193 -12.423 15.476 1.00 24.31 N ATOM 1838 CA LEU B 3 17.344 -11.142 14.757 1.00 71.13 C ATOM 1839 C LEU B 3 17.819 -11.378 13.304 1.00 62.30 C ATOM 1840 O LEU B 3 18.733 -12.177 13.066 1.00 2.30 O ATOM 1841 CB LEU B 3 18.365 -10.220 15.488 1.00 65.03 C ATOM 1842 CG LEU B 3 18.029 -9.841 16.964 1.00 62.30 C ATOM 1843 CD1 LEU B 3 19.184 -9.041 17.610 1.00 2.25 C ATOM 1844 CD2 LEU B 3 16.697 -9.067 17.065 1.00 42.12 C ATOM 0 H LEU B 3 17.973 -12.636 16.098 1.00 24.31 H new ATOM 0 HA LEU B 3 16.368 -10.656 14.738 1.00 71.13 H new ATOM 0 HB2 LEU B 3 19.338 -10.711 15.475 1.00 65.03 H new ATOM 0 HB3 LEU B 3 18.465 -9.299 14.914 1.00 65.03 H new ATOM 0 HG LEU B 3 17.910 -10.772 17.519 1.00 62.30 H new ATOM 0 HD11 LEU B 3 18.923 -8.790 18.638 1.00 2.25 H new ATOM 0 HD12 LEU B 3 20.092 -9.644 17.603 1.00 2.25 H new ATOM 0 HD13 LEU B 3 19.352 -8.124 17.045 1.00 2.25 H new ATOM 0 HD21 LEU B 3 16.497 -8.821 18.108 1.00 42.12 H new ATOM 0 HD22 LEU B 3 16.765 -8.149 16.482 1.00 42.12 H new ATOM 0 HD23 LEU B 3 15.887 -9.684 16.677 1.00 42.12 H new ATOM 1856 N VAL B 4 17.161 -10.709 12.351 1.00 51.45 N ATOM 1857 CA VAL B 4 17.659 -10.534 10.974 1.00 21.22 C ATOM 1858 C VAL B 4 18.165 -9.090 10.823 1.00 32.03 C ATOM 1859 O VAL B 4 17.593 -8.153 11.404 1.00 40.51 O ATOM 1860 CB VAL B 4 16.561 -10.850 9.887 1.00 72.32 C ATOM 1861 CG1 VAL B 4 16.172 -12.348 9.912 1.00 70.24 C ATOM 1862 CG2 VAL B 4 15.321 -9.938 10.052 1.00 32.21 C ATOM 0 H VAL B 4 16.256 -10.267 12.512 1.00 51.45 H new ATOM 0 HA VAL B 4 18.468 -11.245 10.806 1.00 21.22 H new ATOM 0 HB VAL B 4 16.990 -10.635 8.908 1.00 72.32 H new ATOM 0 HG11 VAL B 4 15.413 -12.540 9.153 1.00 70.24 H new ATOM 0 HG12 VAL B 4 17.053 -12.956 9.706 1.00 70.24 H new ATOM 0 HG13 VAL B 4 15.775 -12.605 10.894 1.00 70.24 H new ATOM 0 HG21 VAL B 4 14.585 -10.183 9.287 1.00 32.21 H new ATOM 0 HG22 VAL B 4 14.884 -10.093 11.039 1.00 32.21 H new ATOM 0 HG23 VAL B 4 15.620 -8.895 9.947 1.00 32.21 H new ATOM 1872 N LYS B 5 19.244 -8.920 10.061 1.00 43.12 N ATOM 1873 CA LYS B 5 19.892 -7.619 9.872 1.00 21.31 C ATOM 1874 C LYS B 5 19.351 -6.945 8.598 1.00 1.54 C ATOM 1875 O LYS B 5 19.421 -7.534 7.509 1.00 41.31 O ATOM 1876 CB LYS B 5 21.425 -7.814 9.793 1.00 4.44 C ATOM 1877 CG LYS B 5 22.047 -8.534 11.014 1.00 3.21 C ATOM 1878 CD LYS B 5 23.585 -8.538 10.970 1.00 34.35 C ATOM 1879 CE LYS B 5 24.220 -9.260 12.164 1.00 23.51 C ATOM 1880 NZ LYS B 5 25.701 -9.120 12.154 1.00 42.24 N ATOM 0 H LYS B 5 19.696 -9.681 9.555 1.00 43.12 H new ATOM 0 HA LYS B 5 19.669 -6.969 10.718 1.00 21.31 H new ATOM 0 HB2 LYS B 5 21.660 -8.383 8.894 1.00 4.44 H new ATOM 0 HB3 LYS B 5 21.897 -6.838 9.684 1.00 4.44 H new ATOM 0 HG2 LYS B 5 21.713 -8.045 11.930 1.00 3.21 H new ATOM 0 HG3 LYS B 5 21.684 -9.561 11.051 1.00 3.21 H new ATOM 0 HD2 LYS B 5 23.915 -9.016 10.047 1.00 34.35 H new ATOM 0 HD3 LYS B 5 23.944 -7.509 10.942 1.00 34.35 H new ATOM 0 HE2 LYS B 5 23.820 -8.853 13.093 1.00 23.51 H new ATOM 0 HE3 LYS B 5 23.952 -10.316 12.138 1.00 23.51 H new ATOM 0 HZ1 LYS B 5 26.102 -9.619 12.974 1.00 42.24 H new ATOM 0 HZ2 LYS B 5 26.083 -9.531 11.278 1.00 42.24 H new ATOM 0 HZ3 LYS B 5 25.955 -8.113 12.203 1.00 42.24 H new ATOM 1894 N LEU B 6 18.784 -5.738 8.752 1.00 34.54 N ATOM 1895 CA LEU B 6 18.223 -4.954 7.638 1.00 33.13 C ATOM 1896 C LEU B 6 19.020 -3.651 7.477 1.00 73.00 C ATOM 1897 O LEU B 6 18.719 -2.653 8.140 1.00 41.01 O ATOM 1898 CB LEU B 6 16.703 -4.650 7.883 1.00 21.41 C ATOM 1899 CG LEU B 6 15.768 -5.878 8.156 1.00 12.11 C ATOM 1900 CD1 LEU B 6 14.304 -5.431 8.373 1.00 23.31 C ATOM 1901 CD2 LEU B 6 15.863 -6.933 7.033 1.00 14.20 C ATOM 0 H LEU B 6 18.701 -5.275 9.657 1.00 34.54 H new ATOM 0 HA LEU B 6 18.301 -5.534 6.719 1.00 33.13 H new ATOM 0 HB2 LEU B 6 16.626 -3.970 8.731 1.00 21.41 H new ATOM 0 HB3 LEU B 6 16.319 -4.118 7.012 1.00 21.41 H new ATOM 0 HG LEU B 6 16.117 -6.348 9.075 1.00 12.11 H new ATOM 0 HD11 LEU B 6 13.681 -6.305 8.560 1.00 23.31 H new ATOM 0 HD12 LEU B 6 14.252 -4.758 9.229 1.00 23.31 H new ATOM 0 HD13 LEU B 6 13.946 -4.914 7.483 1.00 23.31 H new ATOM 0 HD21 LEU B 6 15.200 -7.767 7.261 1.00 14.20 H new ATOM 0 HD22 LEU B 6 15.568 -6.483 6.085 1.00 14.20 H new ATOM 0 HD23 LEU B 6 16.889 -7.294 6.959 1.00 14.20 H new ATOM 1913 N GLU B 7 20.069 -3.666 6.634 1.00 15.34 N ATOM 1914 CA GLU B 7 20.861 -2.453 6.343 1.00 31.21 C ATOM 1915 C GLU B 7 20.064 -1.532 5.423 1.00 61.12 C ATOM 1916 O GLU B 7 19.735 -1.924 4.312 1.00 75.41 O ATOM 1917 CB GLU B 7 22.226 -2.765 5.664 1.00 50.01 C ATOM 1918 CG GLU B 7 23.213 -3.581 6.512 1.00 32.30 C ATOM 1919 CD GLU B 7 22.860 -5.073 6.589 1.00 11.54 C ATOM 1920 OE1 GLU B 7 22.261 -5.511 7.588 1.00 55.25 O ATOM 1921 OE2 GLU B 7 23.182 -5.812 5.626 1.00 44.54 O ATOM 0 H GLU B 7 20.388 -4.501 6.143 1.00 15.34 H new ATOM 0 HA GLU B 7 21.067 -1.977 7.302 1.00 31.21 H new ATOM 0 HB2 GLU B 7 22.036 -3.306 4.737 1.00 50.01 H new ATOM 0 HB3 GLU B 7 22.701 -1.822 5.391 1.00 50.01 H new ATOM 0 HG2 GLU B 7 24.214 -3.473 6.095 1.00 32.30 H new ATOM 0 HG3 GLU B 7 23.241 -3.169 7.521 1.00 32.30 H new ATOM 1928 N SER B 8 19.774 -0.315 5.882 1.00 13.44 N ATOM 1929 CA SER B 8 19.180 0.737 5.035 1.00 32.25 C ATOM 1930 C SER B 8 20.172 1.191 3.940 1.00 12.44 C ATOM 1931 O SER B 8 21.309 0.700 3.874 1.00 12.42 O ATOM 1932 CB SER B 8 18.776 1.919 5.934 1.00 13.53 C ATOM 1933 OG SER B 8 19.869 2.353 6.729 1.00 71.42 O ATOM 0 H SER B 8 19.940 -0.024 6.845 1.00 13.44 H new ATOM 0 HA SER B 8 18.299 0.344 4.528 1.00 32.25 H new ATOM 0 HB2 SER B 8 18.421 2.744 5.317 1.00 13.53 H new ATOM 0 HB3 SER B 8 17.948 1.623 6.579 1.00 13.53 H new ATOM 0 HG SER B 8 20.371 3.043 6.247 1.00 71.42 H new ATOM 1939 N SER B 9 19.743 2.133 3.086 1.00 52.31 N ATOM 1940 CA SER B 9 20.616 2.761 2.076 1.00 32.11 C ATOM 1941 C SER B 9 21.762 3.536 2.759 1.00 10.42 C ATOM 1942 O SER B 9 22.867 3.635 2.220 1.00 44.22 O ATOM 1943 CB SER B 9 19.797 3.699 1.171 1.00 20.31 C ATOM 1944 OG SER B 9 19.182 4.732 1.919 1.00 42.33 O ATOM 0 H SER B 9 18.785 2.482 3.074 1.00 52.31 H new ATOM 0 HA SER B 9 21.052 1.976 1.459 1.00 32.11 H new ATOM 0 HB2 SER B 9 20.447 4.135 0.413 1.00 20.31 H new ATOM 0 HB3 SER B 9 19.034 3.125 0.645 1.00 20.31 H new ATOM 0 HG SER B 9 18.671 5.312 1.317 1.00 42.33 H new ATOM 1950 N ASP B 10 21.476 4.030 3.978 1.00 73.01 N ATOM 1951 CA ASP B 10 22.436 4.765 4.825 1.00 20.33 C ATOM 1952 C ASP B 10 23.329 3.789 5.651 1.00 25.32 C ATOM 1953 O ASP B 10 24.091 4.213 6.526 1.00 71.43 O ATOM 1954 CB ASP B 10 21.626 5.728 5.737 1.00 43.03 C ATOM 1955 CG ASP B 10 22.491 6.671 6.600 1.00 22.10 C ATOM 1956 OD1 ASP B 10 23.125 7.589 6.038 1.00 42.03 O ATOM 1957 OD2 ASP B 10 22.522 6.516 7.840 1.00 75.52 O ATOM 0 H ASP B 10 20.557 3.928 4.409 1.00 73.01 H new ATOM 0 HA ASP B 10 23.121 5.342 4.204 1.00 20.33 H new ATOM 0 HB2 ASP B 10 20.966 6.331 5.113 1.00 43.03 H new ATOM 0 HB3 ASP B 10 20.990 5.136 6.395 1.00 43.03 H new ATOM 1962 N GLU B 11 23.212 2.469 5.354 1.00 34.01 N ATOM 1963 CA GLU B 11 24.081 1.389 5.899 1.00 35.33 C ATOM 1964 C GLU B 11 23.821 1.083 7.389 1.00 11.41 C ATOM 1965 O GLU B 11 24.559 0.288 7.991 1.00 34.32 O ATOM 1966 CB GLU B 11 25.591 1.701 5.667 1.00 1.34 C ATOM 1967 CG GLU B 11 25.993 1.916 4.193 1.00 23.24 C ATOM 1968 CD GLU B 11 27.484 2.249 4.023 1.00 23.13 C ATOM 1969 OE1 GLU B 11 27.872 3.411 4.291 1.00 21.23 O ATOM 1970 OE2 GLU B 11 28.276 1.356 3.631 1.00 73.25 O ATOM 0 H GLU B 11 22.498 2.117 4.717 1.00 34.01 H new ATOM 0 HA GLU B 11 23.814 0.491 5.342 1.00 35.33 H new ATOM 0 HB2 GLU B 11 25.853 2.595 6.234 1.00 1.34 H new ATOM 0 HB3 GLU B 11 26.183 0.881 6.073 1.00 1.34 H new ATOM 0 HG2 GLU B 11 25.759 1.017 3.623 1.00 23.24 H new ATOM 0 HG3 GLU B 11 25.395 2.724 3.773 1.00 23.24 H new ATOM 1977 N LYS B 12 22.777 1.696 7.985 1.00 70.54 N ATOM 1978 CA LYS B 12 22.395 1.420 9.381 1.00 61.23 C ATOM 1979 C LYS B 12 21.782 0.013 9.477 1.00 15.02 C ATOM 1980 O LYS B 12 20.778 -0.270 8.816 1.00 64.03 O ATOM 1981 CB LYS B 12 21.404 2.499 9.905 1.00 64.53 C ATOM 1982 CG LYS B 12 21.990 3.934 10.085 1.00 30.45 C ATOM 1983 CD LYS B 12 22.624 4.215 11.476 1.00 21.41 C ATOM 1984 CE LYS B 12 23.979 3.533 11.705 1.00 50.21 C ATOM 1985 NZ LYS B 12 24.525 3.826 13.061 1.00 51.04 N ATOM 0 H LYS B 12 22.186 2.384 7.520 1.00 70.54 H new ATOM 0 HA LYS B 12 23.285 1.459 10.009 1.00 61.23 H new ATOM 0 HB2 LYS B 12 20.561 2.556 9.216 1.00 64.53 H new ATOM 0 HB3 LYS B 12 21.009 2.166 10.865 1.00 64.53 H new ATOM 0 HG2 LYS B 12 22.746 4.100 9.318 1.00 30.45 H new ATOM 0 HG3 LYS B 12 21.195 4.659 9.912 1.00 30.45 H new ATOM 0 HD2 LYS B 12 22.748 5.291 11.594 1.00 21.41 H new ATOM 0 HD3 LYS B 12 21.931 3.887 12.251 1.00 21.41 H new ATOM 0 HE2 LYS B 12 23.869 2.456 11.583 1.00 50.21 H new ATOM 0 HE3 LYS B 12 24.687 3.869 10.948 1.00 50.21 H new ATOM 0 HZ1 LYS B 12 25.441 3.348 13.177 1.00 51.04 H new ATOM 0 HZ2 LYS B 12 24.654 4.852 13.169 1.00 51.04 H new ATOM 0 HZ3 LYS B 12 23.861 3.483 13.784 1.00 51.04 H new ATOM 1999 N VAL B 13 22.395 -0.841 10.310 1.00 32.54 N ATOM 2000 CA VAL B 13 22.050 -2.259 10.432 1.00 70.54 C ATOM 2001 C VAL B 13 20.919 -2.423 11.466 1.00 23.41 C ATOM 2002 O VAL B 13 21.166 -2.425 12.680 1.00 65.30 O ATOM 2003 CB VAL B 13 23.320 -3.101 10.857 1.00 2.31 C ATOM 2004 CG1 VAL B 13 23.030 -4.617 10.868 1.00 31.44 C ATOM 2005 CG2 VAL B 13 24.539 -2.771 9.958 1.00 12.42 C ATOM 0 H VAL B 13 23.157 -0.558 10.927 1.00 32.54 H new ATOM 0 HA VAL B 13 21.707 -2.631 9.467 1.00 70.54 H new ATOM 0 HB VAL B 13 23.568 -2.813 11.879 1.00 2.31 H new ATOM 0 HG11 VAL B 13 23.929 -5.157 11.165 1.00 31.44 H new ATOM 0 HG12 VAL B 13 22.229 -4.829 11.576 1.00 31.44 H new ATOM 0 HG13 VAL B 13 22.728 -4.937 9.871 1.00 31.44 H new ATOM 0 HG21 VAL B 13 25.396 -3.365 10.275 1.00 12.42 H new ATOM 0 HG22 VAL B 13 24.300 -3.004 8.920 1.00 12.42 H new ATOM 0 HG23 VAL B 13 24.780 -1.712 10.046 1.00 12.42 H new ATOM 2015 N PHE B 14 19.674 -2.501 10.973 1.00 60.22 N ATOM 2016 CA PHE B 14 18.482 -2.696 11.810 1.00 34.23 C ATOM 2017 C PHE B 14 18.311 -4.190 12.133 1.00 62.31 C ATOM 2018 O PHE B 14 17.649 -4.936 11.397 1.00 14.31 O ATOM 2019 CB PHE B 14 17.222 -2.117 11.112 1.00 20.13 C ATOM 2020 CG PHE B 14 17.254 -0.594 10.931 1.00 42.13 C ATOM 2021 CD1 PHE B 14 17.714 -0.011 9.747 1.00 35.44 C ATOM 2022 CD2 PHE B 14 16.839 0.254 11.958 1.00 63.40 C ATOM 2023 CE1 PHE B 14 17.752 1.365 9.597 1.00 55.34 C ATOM 2024 CE2 PHE B 14 16.876 1.626 11.804 1.00 10.51 C ATOM 2025 CZ PHE B 14 17.334 2.182 10.624 1.00 75.51 C ATOM 0 H PHE B 14 19.465 -2.430 9.977 1.00 60.22 H new ATOM 0 HA PHE B 14 18.611 -2.156 12.748 1.00 34.23 H new ATOM 0 HB2 PHE B 14 17.113 -2.587 10.134 1.00 20.13 H new ATOM 0 HB3 PHE B 14 16.341 -2.385 11.695 1.00 20.13 H new ATOM 0 HD1 PHE B 14 18.045 -0.643 8.937 1.00 35.44 H new ATOM 0 HD2 PHE B 14 16.484 -0.168 12.886 1.00 63.40 H new ATOM 0 HE1 PHE B 14 18.110 1.798 8.674 1.00 55.34 H new ATOM 0 HE2 PHE B 14 16.546 2.267 12.608 1.00 10.51 H new ATOM 0 HZ PHE B 14 17.364 3.255 10.508 1.00 75.51 H new ATOM 2035 N GLU B 15 18.980 -4.614 13.214 1.00 10.10 N ATOM 2036 CA GLU B 15 18.900 -5.984 13.735 1.00 22.52 C ATOM 2037 C GLU B 15 17.577 -6.152 14.503 1.00 42.43 C ATOM 2038 O GLU B 15 17.497 -5.879 15.708 1.00 63.52 O ATOM 2039 CB GLU B 15 20.126 -6.280 14.632 1.00 40.24 C ATOM 2040 CG GLU B 15 21.479 -6.044 13.934 1.00 2.32 C ATOM 2041 CD GLU B 15 22.689 -6.369 14.821 1.00 61.10 C ATOM 2042 OE1 GLU B 15 23.214 -5.452 15.489 1.00 55.10 O ATOM 2043 OE2 GLU B 15 23.118 -7.541 14.866 1.00 2.33 O ATOM 0 H GLU B 15 19.597 -4.009 13.756 1.00 10.10 H new ATOM 0 HA GLU B 15 18.915 -6.701 12.915 1.00 22.52 H new ATOM 0 HB2 GLU B 15 20.073 -5.653 15.522 1.00 40.24 H new ATOM 0 HB3 GLU B 15 20.077 -7.316 14.968 1.00 40.24 H new ATOM 0 HG2 GLU B 15 21.525 -6.654 13.032 1.00 2.32 H new ATOM 0 HG3 GLU B 15 21.539 -5.003 13.618 1.00 2.32 H new ATOM 2050 N ILE B 16 16.534 -6.546 13.770 1.00 62.00 N ATOM 2051 CA ILE B 16 15.162 -6.641 14.282 1.00 73.10 C ATOM 2052 C ILE B 16 14.680 -8.096 14.149 1.00 74.22 C ATOM 2053 O ILE B 16 15.210 -8.841 13.320 1.00 14.11 O ATOM 2054 CB ILE B 16 14.229 -5.627 13.503 1.00 53.43 C ATOM 2055 CG1 ILE B 16 12.856 -5.460 14.221 1.00 30.11 C ATOM 2056 CG2 ILE B 16 14.048 -6.037 12.016 1.00 64.45 C ATOM 2057 CD1 ILE B 16 11.992 -4.335 13.686 1.00 14.43 C ATOM 0 H ILE B 16 16.618 -6.812 12.789 1.00 62.00 H new ATOM 0 HA ILE B 16 15.125 -6.368 15.337 1.00 73.10 H new ATOM 0 HB ILE B 16 14.726 -4.657 13.509 1.00 53.43 H new ATOM 0 HG12 ILE B 16 12.302 -6.395 14.138 1.00 30.11 H new ATOM 0 HG13 ILE B 16 13.035 -5.288 15.282 1.00 30.11 H new ATOM 0 HG21 ILE B 16 13.401 -5.316 11.516 1.00 64.45 H new ATOM 0 HG22 ILE B 16 15.020 -6.056 11.523 1.00 64.45 H new ATOM 0 HG23 ILE B 16 13.596 -7.027 11.964 1.00 64.45 H new ATOM 0 HD11 ILE B 16 11.058 -4.296 14.246 1.00 14.43 H new ATOM 0 HD12 ILE B 16 12.520 -3.388 13.794 1.00 14.43 H new ATOM 0 HD13 ILE B 16 11.776 -4.512 12.632 1.00 14.43 H new ATOM 2069 N GLU B 17 13.701 -8.500 14.983 1.00 23.22 N ATOM 2070 CA GLU B 17 13.178 -9.884 15.008 1.00 32.24 C ATOM 2071 C GLU B 17 12.612 -10.274 13.627 1.00 15.53 C ATOM 2072 O GLU B 17 11.942 -9.453 12.979 1.00 72.02 O ATOM 2073 CB GLU B 17 12.083 -10.030 16.103 1.00 55.02 C ATOM 2074 CG GLU B 17 12.534 -9.598 17.522 1.00 62.22 C ATOM 2075 CD GLU B 17 11.422 -9.716 18.580 1.00 3.23 C ATOM 2076 OE1 GLU B 17 11.441 -10.672 19.384 1.00 54.11 O ATOM 2077 OE2 GLU B 17 10.524 -8.847 18.619 1.00 33.52 O ATOM 0 H GLU B 17 13.251 -7.880 15.656 1.00 23.22 H new ATOM 0 HA GLU B 17 14.000 -10.559 15.247 1.00 32.24 H new ATOM 0 HB2 GLU B 17 11.216 -9.436 15.814 1.00 55.02 H new ATOM 0 HB3 GLU B 17 11.759 -11.070 16.139 1.00 55.02 H new ATOM 0 HG2 GLU B 17 13.382 -10.210 17.828 1.00 62.22 H new ATOM 0 HG3 GLU B 17 12.883 -8.566 17.486 1.00 62.22 H new ATOM 2084 N LYS B 18 12.895 -11.528 13.200 1.00 42.30 N ATOM 2085 CA LYS B 18 12.473 -12.060 11.884 1.00 72.04 C ATOM 2086 C LYS B 18 10.944 -12.002 11.736 1.00 33.31 C ATOM 2087 O LYS B 18 10.436 -11.788 10.640 1.00 50.34 O ATOM 2088 CB LYS B 18 12.982 -13.520 11.668 1.00 72.10 C ATOM 2089 CG LYS B 18 12.708 -14.089 10.245 1.00 42.21 C ATOM 2090 CD LYS B 18 13.299 -15.507 10.014 1.00 61.51 C ATOM 2091 CE LYS B 18 12.668 -16.595 10.902 1.00 12.03 C ATOM 2092 NZ LYS B 18 11.220 -16.788 10.633 1.00 4.35 N ATOM 0 H LYS B 18 13.422 -12.198 13.759 1.00 42.30 H new ATOM 0 HA LYS B 18 12.923 -11.429 11.117 1.00 72.04 H new ATOM 0 HB2 LYS B 18 14.055 -13.550 11.859 1.00 72.10 H new ATOM 0 HB3 LYS B 18 12.509 -14.170 12.404 1.00 72.10 H new ATOM 0 HG2 LYS B 18 11.631 -14.122 10.078 1.00 42.21 H new ATOM 0 HG3 LYS B 18 13.125 -13.406 9.504 1.00 42.21 H new ATOM 0 HD2 LYS B 18 13.163 -15.781 8.968 1.00 61.51 H new ATOM 0 HD3 LYS B 18 14.373 -15.478 10.199 1.00 61.51 H new ATOM 0 HE2 LYS B 18 13.192 -17.537 10.742 1.00 12.03 H new ATOM 0 HE3 LYS B 18 12.806 -16.328 11.950 1.00 12.03 H new ATOM 0 HZ1 LYS B 18 10.854 -17.554 11.234 1.00 4.35 H new ATOM 0 HZ2 LYS B 18 10.707 -15.908 10.844 1.00 4.35 H new ATOM 0 HZ3 LYS B 18 11.083 -17.037 9.633 1.00 4.35 H new ATOM 2106 N GLU B 19 10.238 -12.154 12.875 1.00 64.12 N ATOM 2107 CA GLU B 19 8.762 -12.087 12.947 1.00 52.24 C ATOM 2108 C GLU B 19 8.233 -10.717 12.474 1.00 24.24 C ATOM 2109 O GLU B 19 7.236 -10.641 11.746 1.00 62.41 O ATOM 2110 CB GLU B 19 8.288 -12.357 14.394 1.00 43.54 C ATOM 2111 CG GLU B 19 8.810 -13.663 15.019 1.00 12.12 C ATOM 2112 CD GLU B 19 8.259 -13.909 16.437 1.00 21.52 C ATOM 2113 OE1 GLU B 19 7.641 -14.969 16.682 1.00 60.31 O ATOM 2114 OE2 GLU B 19 8.426 -13.028 17.308 1.00 33.12 O ATOM 0 H GLU B 19 10.679 -12.328 13.778 1.00 64.12 H new ATOM 0 HA GLU B 19 8.363 -12.853 12.282 1.00 52.24 H new ATOM 0 HB2 GLU B 19 8.598 -11.522 15.023 1.00 43.54 H new ATOM 0 HB3 GLU B 19 7.198 -12.377 14.405 1.00 43.54 H new ATOM 0 HG2 GLU B 19 8.538 -14.501 14.378 1.00 12.12 H new ATOM 0 HG3 GLU B 19 9.899 -13.632 15.058 1.00 12.12 H new ATOM 2121 N ILE B 20 8.932 -9.652 12.890 1.00 43.45 N ATOM 2122 CA ILE B 20 8.572 -8.262 12.560 1.00 33.03 C ATOM 2123 C ILE B 20 8.947 -7.954 11.095 1.00 20.21 C ATOM 2124 O ILE B 20 8.249 -7.207 10.403 1.00 60.20 O ATOM 2125 CB ILE B 20 9.288 -7.245 13.525 1.00 71.24 C ATOM 2126 CG1 ILE B 20 9.136 -7.698 15.011 1.00 34.15 C ATOM 2127 CG2 ILE B 20 8.733 -5.809 13.322 1.00 52.11 C ATOM 2128 CD1 ILE B 20 9.882 -6.848 16.020 1.00 5.42 C ATOM 0 H ILE B 20 9.769 -9.729 13.469 1.00 43.45 H new ATOM 0 HA ILE B 20 7.495 -8.150 12.688 1.00 33.03 H new ATOM 0 HB ILE B 20 10.350 -7.232 13.282 1.00 71.24 H new ATOM 0 HG12 ILE B 20 8.077 -7.696 15.269 1.00 34.15 H new ATOM 0 HG13 ILE B 20 9.483 -8.727 15.098 1.00 34.15 H new ATOM 0 HG21 ILE B 20 9.242 -5.123 13.999 1.00 52.11 H new ATOM 0 HG22 ILE B 20 8.903 -5.495 12.292 1.00 52.11 H new ATOM 0 HG23 ILE B 20 7.664 -5.799 13.532 1.00 52.11 H new ATOM 0 HD11 ILE B 20 9.714 -7.242 17.022 1.00 5.42 H new ATOM 0 HD12 ILE B 20 10.948 -6.869 15.795 1.00 5.42 H new ATOM 0 HD13 ILE B 20 9.520 -5.821 15.969 1.00 5.42 H new ATOM 2140 N ALA B 21 10.056 -8.552 10.641 1.00 61.42 N ATOM 2141 CA ALA B 21 10.497 -8.474 9.237 1.00 74.23 C ATOM 2142 C ALA B 21 9.531 -9.235 8.297 1.00 43.04 C ATOM 2143 O ALA B 21 9.401 -8.893 7.126 1.00 12.12 O ATOM 2144 CB ALA B 21 11.928 -9.011 9.119 1.00 50.33 C ATOM 0 H ALA B 21 10.675 -9.104 11.235 1.00 61.42 H new ATOM 0 HA ALA B 21 10.485 -7.430 8.924 1.00 74.23 H new ATOM 0 HB1 ALA B 21 12.254 -8.953 8.080 1.00 50.33 H new ATOM 0 HB2 ALA B 21 12.593 -8.413 9.742 1.00 50.33 H new ATOM 0 HB3 ALA B 21 11.956 -10.049 9.451 1.00 50.33 H new ATOM 2150 N CYS B 22 8.870 -10.276 8.832 1.00 12.23 N ATOM 2151 CA CYS B 22 7.838 -11.048 8.106 1.00 34.43 C ATOM 2152 C CYS B 22 6.499 -10.277 8.031 1.00 73.32 C ATOM 2153 O CYS B 22 5.664 -10.565 7.162 1.00 31.23 O ATOM 2154 CB CYS B 22 7.663 -12.433 8.751 1.00 44.23 C ATOM 2155 SG CYS B 22 9.150 -13.450 8.655 1.00 23.22 S ATOM 0 H CYS B 22 9.034 -10.609 9.782 1.00 12.23 H new ATOM 0 HA CYS B 22 8.174 -11.191 7.079 1.00 34.43 H new ATOM 0 HB2 CYS B 22 7.383 -12.308 9.797 1.00 44.23 H new ATOM 0 HB3 CYS B 22 6.841 -12.954 8.261 1.00 44.23 H new ATOM 0 HG CYS B 22 10.090 -12.913 9.375 1.00 23.22 H new ATOM 2161 N MET B 23 6.297 -9.306 8.959 1.00 53.43 N ATOM 2162 CA MET B 23 5.154 -8.351 8.897 1.00 1.24 C ATOM 2163 C MET B 23 5.258 -7.460 7.635 1.00 32.10 C ATOM 2164 O MET B 23 4.249 -6.925 7.154 1.00 65.01 O ATOM 2165 CB MET B 23 5.086 -7.485 10.188 1.00 55.32 C ATOM 2166 CG MET B 23 4.806 -8.272 11.484 1.00 73.44 C ATOM 2167 SD MET B 23 4.892 -7.246 12.977 1.00 4.21 S ATOM 2168 CE MET B 23 3.614 -6.014 12.687 1.00 52.40 C ATOM 0 H MET B 23 6.911 -9.162 9.761 1.00 53.43 H new ATOM 0 HA MET B 23 4.230 -8.926 8.831 1.00 1.24 H new ATOM 0 HB2 MET B 23 6.030 -6.952 10.301 1.00 55.32 H new ATOM 0 HB3 MET B 23 4.308 -6.732 10.062 1.00 55.32 H new ATOM 0 HG2 MET B 23 3.817 -8.725 11.419 1.00 73.44 H new ATOM 0 HG3 MET B 23 5.525 -9.087 11.569 1.00 73.44 H new ATOM 0 HE1 MET B 23 3.435 -5.452 13.604 1.00 52.40 H new ATOM 0 HE2 MET B 23 3.938 -5.332 11.901 1.00 52.40 H new ATOM 0 HE3 MET B 23 2.693 -6.510 12.380 1.00 52.40 H new ATOM 2178 N SER B 24 6.496 -7.295 7.133 1.00 71.52 N ATOM 2179 CA SER B 24 6.748 -6.833 5.768 1.00 63.03 C ATOM 2180 C SER B 24 6.504 -8.007 4.810 1.00 75.24 C ATOM 2181 O SER B 24 7.231 -9.004 4.873 1.00 11.14 O ATOM 2182 CB SER B 24 8.206 -6.343 5.608 1.00 2.32 C ATOM 2183 OG SER B 24 8.511 -5.279 6.475 1.00 21.25 O ATOM 0 H SER B 24 7.345 -7.480 7.667 1.00 71.52 H new ATOM 0 HA SER B 24 6.081 -6.000 5.544 1.00 63.03 H new ATOM 0 HB2 SER B 24 8.888 -7.171 5.799 1.00 2.32 H new ATOM 0 HB3 SER B 24 8.369 -6.027 4.578 1.00 2.32 H new ATOM 0 HG SER B 24 9.442 -5.004 6.340 1.00 21.25 H new ATOM 2189 N VAL B 25 5.488 -7.887 3.945 1.00 73.10 N ATOM 2190 CA VAL B 25 5.163 -8.914 2.933 1.00 40.23 C ATOM 2191 C VAL B 25 6.327 -9.069 1.930 1.00 13.15 C ATOM 2192 O VAL B 25 6.591 -10.169 1.460 1.00 10.51 O ATOM 2193 CB VAL B 25 3.808 -8.594 2.186 1.00 24.53 C ATOM 2194 CG1 VAL B 25 3.479 -9.642 1.087 1.00 23.42 C ATOM 2195 CG2 VAL B 25 2.634 -8.470 3.198 1.00 70.03 C ATOM 0 H VAL B 25 4.866 -7.079 3.923 1.00 73.10 H new ATOM 0 HA VAL B 25 5.025 -9.862 3.453 1.00 40.23 H new ATOM 0 HB VAL B 25 3.939 -7.635 1.685 1.00 24.53 H new ATOM 0 HG11 VAL B 25 2.539 -9.378 0.603 1.00 23.42 H new ATOM 0 HG12 VAL B 25 4.278 -9.655 0.346 1.00 23.42 H new ATOM 0 HG13 VAL B 25 3.389 -10.629 1.541 1.00 23.42 H new ATOM 0 HG21 VAL B 25 1.712 -8.249 2.660 1.00 70.03 H new ATOM 0 HG22 VAL B 25 2.522 -9.408 3.742 1.00 70.03 H new ATOM 0 HG23 VAL B 25 2.844 -7.665 3.903 1.00 70.03 H new ATOM 2205 N THR B 26 7.052 -7.967 1.664 1.00 1.52 N ATOM 2206 CA THR B 26 8.178 -7.953 0.713 1.00 64.04 C ATOM 2207 C THR B 26 9.365 -8.785 1.239 1.00 71.53 C ATOM 2208 O THR B 26 9.912 -9.614 0.511 1.00 31.32 O ATOM 2209 CB THR B 26 8.627 -6.488 0.419 1.00 34.31 C ATOM 2210 OG1 THR B 26 7.540 -5.777 -0.192 1.00 14.41 O ATOM 2211 CG2 THR B 26 9.862 -6.404 -0.496 1.00 33.40 C ATOM 0 H THR B 26 6.874 -7.063 2.102 1.00 1.52 H new ATOM 0 HA THR B 26 7.836 -8.407 -0.217 1.00 64.04 H new ATOM 0 HB THR B 26 8.906 -6.041 1.373 1.00 34.31 H new ATOM 0 HG1 THR B 26 7.802 -4.845 -0.343 1.00 14.41 H new ATOM 0 HG21 THR B 26 10.122 -5.358 -0.661 1.00 33.40 H new ATOM 0 HG22 THR B 26 10.700 -6.916 -0.024 1.00 33.40 H new ATOM 0 HG23 THR B 26 9.639 -6.878 -1.452 1.00 33.40 H new ATOM 2219 N ILE B 27 9.730 -8.576 2.520 1.00 74.22 N ATOM 2220 CA ILE B 27 10.858 -9.283 3.164 1.00 21.01 C ATOM 2221 C ILE B 27 10.452 -10.750 3.432 1.00 35.11 C ATOM 2222 O ILE B 27 11.283 -11.653 3.307 1.00 32.43 O ATOM 2223 CB ILE B 27 11.349 -8.556 4.492 1.00 52.42 C ATOM 2224 CG1 ILE B 27 12.123 -7.221 4.190 1.00 42.04 C ATOM 2225 CG2 ILE B 27 12.237 -9.482 5.375 1.00 4.25 C ATOM 2226 CD1 ILE B 27 11.341 -6.142 3.468 1.00 33.01 C ATOM 0 H ILE B 27 9.255 -7.916 3.135 1.00 74.22 H new ATOM 0 HA ILE B 27 11.710 -9.266 2.484 1.00 21.01 H new ATOM 0 HB ILE B 27 10.442 -8.313 5.045 1.00 52.42 H new ATOM 0 HG12 ILE B 27 12.480 -6.811 5.135 1.00 42.04 H new ATOM 0 HG13 ILE B 27 13.003 -7.463 3.594 1.00 42.04 H new ATOM 0 HG21 ILE B 27 12.548 -8.943 6.270 1.00 4.25 H new ATOM 0 HG22 ILE B 27 11.667 -10.365 5.664 1.00 4.25 H new ATOM 0 HG23 ILE B 27 13.118 -9.787 4.811 1.00 4.25 H new ATOM 0 HD11 ILE B 27 11.978 -5.271 3.316 1.00 33.01 H new ATOM 0 HD12 ILE B 27 11.006 -6.520 2.502 1.00 33.01 H new ATOM 0 HD13 ILE B 27 10.475 -5.858 4.066 1.00 33.01 H new ATOM 2238 N LYS B 28 9.162 -10.968 3.764 1.00 65.21 N ATOM 2239 CA LYS B 28 8.567 -12.316 3.891 1.00 4.31 C ATOM 2240 C LYS B 28 8.764 -13.109 2.577 1.00 3.41 C ATOM 2241 O LYS B 28 9.295 -14.230 2.582 1.00 60.33 O ATOM 2242 CB LYS B 28 7.051 -12.206 4.237 1.00 70.31 C ATOM 2243 CG LYS B 28 6.272 -13.534 4.166 1.00 33.13 C ATOM 2244 CD LYS B 28 4.779 -13.393 4.532 1.00 34.41 C ATOM 2245 CE LYS B 28 3.972 -14.665 4.195 1.00 35.32 C ATOM 2246 NZ LYS B 28 4.594 -15.903 4.749 1.00 21.43 N ATOM 0 H LYS B 28 8.502 -10.213 3.952 1.00 65.21 H new ATOM 0 HA LYS B 28 9.069 -12.848 4.699 1.00 4.31 H new ATOM 0 HB2 LYS B 28 6.951 -11.796 5.242 1.00 70.31 H new ATOM 0 HB3 LYS B 28 6.588 -11.493 3.555 1.00 70.31 H new ATOM 0 HG2 LYS B 28 6.354 -13.941 3.158 1.00 33.13 H new ATOM 0 HG3 LYS B 28 6.736 -14.255 4.839 1.00 33.13 H new ATOM 0 HD2 LYS B 28 4.687 -13.178 5.597 1.00 34.41 H new ATOM 0 HD3 LYS B 28 4.354 -12.543 3.997 1.00 34.41 H new ATOM 0 HE2 LYS B 28 2.960 -14.564 4.588 1.00 35.32 H new ATOM 0 HE3 LYS B 28 3.885 -14.760 3.113 1.00 35.32 H new ATOM 0 HZ1 LYS B 28 3.853 -16.516 5.145 1.00 21.43 H new ATOM 0 HZ2 LYS B 28 5.094 -16.410 3.991 1.00 21.43 H new ATOM 0 HZ3 LYS B 28 5.269 -15.647 5.498 1.00 21.43 H new ATOM 2260 N ASN B 29 8.370 -12.469 1.459 1.00 22.52 N ATOM 2261 CA ASN B 29 8.500 -13.033 0.101 1.00 13.10 C ATOM 2262 C ASN B 29 9.974 -13.286 -0.248 1.00 4.41 C ATOM 2263 O ASN B 29 10.283 -14.297 -0.867 1.00 23.02 O ATOM 2264 CB ASN B 29 7.860 -12.097 -0.973 1.00 62.22 C ATOM 2265 CG ASN B 29 6.324 -12.110 -0.991 1.00 72.24 C ATOM 2266 OD1 ASN B 29 5.671 -12.355 0.020 1.00 63.42 O ATOM 2267 ND2 ASN B 29 5.734 -11.836 -2.146 1.00 2.34 N ATOM 0 H ASN B 29 7.950 -11.540 1.473 1.00 22.52 H new ATOM 0 HA ASN B 29 7.963 -13.982 0.095 1.00 13.10 H new ATOM 0 HB2 ASN B 29 8.201 -11.077 -0.798 1.00 62.22 H new ATOM 0 HB3 ASN B 29 8.225 -12.390 -1.957 1.00 62.22 H new ATOM 0 HD21 ASN B 29 4.716 -11.825 -2.209 1.00 2.34 H new ATOM 0 HD22 ASN B 29 6.298 -11.636 -2.972 1.00 2.34 H new ATOM 2274 N MET B 30 10.868 -12.349 0.150 1.00 11.32 N ATOM 2275 CA MET B 30 12.324 -12.463 -0.105 1.00 35.01 C ATOM 2276 C MET B 30 12.887 -13.733 0.552 1.00 31.45 C ATOM 2277 O MET B 30 13.433 -14.594 -0.139 1.00 70.05 O ATOM 2278 CB MET B 30 13.106 -11.210 0.407 1.00 53.51 C ATOM 2279 CG MET B 30 12.951 -9.950 -0.453 1.00 23.42 C ATOM 2280 SD MET B 30 13.928 -8.571 0.190 1.00 1.14 S ATOM 2281 CE MET B 30 13.621 -7.297 -1.034 1.00 61.42 C ATOM 0 H MET B 30 10.604 -11.501 0.652 1.00 11.32 H new ATOM 0 HA MET B 30 12.459 -12.524 -1.185 1.00 35.01 H new ATOM 0 HB2 MET B 30 12.774 -10.983 1.420 1.00 53.51 H new ATOM 0 HB3 MET B 30 14.165 -11.462 0.468 1.00 53.51 H new ATOM 0 HG2 MET B 30 13.260 -10.168 -1.475 1.00 23.42 H new ATOM 0 HG3 MET B 30 11.900 -9.664 -0.491 1.00 23.42 H new ATOM 0 HE1 MET B 30 13.832 -6.319 -0.602 1.00 61.42 H new ATOM 0 HE2 MET B 30 14.266 -7.459 -1.898 1.00 61.42 H new ATOM 0 HE3 MET B 30 12.578 -7.338 -1.348 1.00 61.42 H new ATOM 2291 N ILE B 31 12.665 -13.860 1.875 1.00 20.31 N ATOM 2292 CA ILE B 31 13.212 -14.961 2.693 1.00 5.31 C ATOM 2293 C ILE B 31 12.751 -16.325 2.142 1.00 23.43 C ATOM 2294 O ILE B 31 13.575 -17.205 1.906 1.00 14.34 O ATOM 2295 CB ILE B 31 12.799 -14.811 4.218 1.00 34.12 C ATOM 2296 CG1 ILE B 31 13.394 -13.495 4.824 1.00 34.01 C ATOM 2297 CG2 ILE B 31 13.226 -16.049 5.059 1.00 12.31 C ATOM 2298 CD1 ILE B 31 12.993 -13.209 6.264 1.00 2.14 C ATOM 0 H ILE B 31 12.099 -13.200 2.408 1.00 20.31 H new ATOM 0 HA ILE B 31 14.299 -14.909 2.635 1.00 5.31 H new ATOM 0 HB ILE B 31 11.711 -14.752 4.258 1.00 34.12 H new ATOM 0 HG12 ILE B 31 14.481 -13.547 4.769 1.00 34.01 H new ATOM 0 HG13 ILE B 31 13.084 -12.655 4.203 1.00 34.01 H new ATOM 0 HG21 ILE B 31 12.925 -15.906 6.097 1.00 12.31 H new ATOM 0 HG22 ILE B 31 12.745 -16.942 4.661 1.00 12.31 H new ATOM 0 HG23 ILE B 31 14.308 -16.167 5.009 1.00 12.31 H new ATOM 0 HD11 ILE B 31 13.455 -12.278 6.592 1.00 2.14 H new ATOM 0 HD12 ILE B 31 11.909 -13.119 6.329 1.00 2.14 H new ATOM 0 HD13 ILE B 31 13.328 -14.025 6.904 1.00 2.14 H new ATOM 2310 N GLU B 32 11.441 -16.453 1.880 1.00 5.23 N ATOM 2311 CA GLU B 32 10.841 -17.723 1.417 1.00 35.44 C ATOM 2312 C GLU B 32 11.261 -18.068 -0.028 1.00 41.34 C ATOM 2313 O GLU B 32 11.476 -19.244 -0.343 1.00 31.53 O ATOM 2314 CB GLU B 32 9.303 -17.663 1.542 1.00 35.04 C ATOM 2315 CG GLU B 32 8.806 -17.408 2.981 1.00 64.01 C ATOM 2316 CD GLU B 32 7.282 -17.255 3.071 1.00 21.40 C ATOM 2317 OE1 GLU B 32 6.613 -18.069 3.741 1.00 2.45 O ATOM 2318 OE2 GLU B 32 6.736 -16.317 2.457 1.00 74.31 O ATOM 0 H GLU B 32 10.771 -15.691 1.980 1.00 5.23 H new ATOM 0 HA GLU B 32 11.217 -18.520 2.058 1.00 35.44 H new ATOM 0 HB2 GLU B 32 8.925 -16.874 0.892 1.00 35.04 H new ATOM 0 HB3 GLU B 32 8.881 -18.602 1.183 1.00 35.04 H new ATOM 0 HG2 GLU B 32 9.121 -18.233 3.620 1.00 64.01 H new ATOM 0 HG3 GLU B 32 9.280 -16.506 3.369 1.00 64.01 H new ATOM 2325 N ASP B 33 11.403 -17.035 -0.889 1.00 13.12 N ATOM 2326 CA ASP B 33 11.805 -17.208 -2.314 1.00 71.44 C ATOM 2327 C ASP B 33 13.257 -17.700 -2.418 1.00 74.35 C ATOM 2328 O ASP B 33 13.589 -18.522 -3.280 1.00 44.21 O ATOM 2329 CB ASP B 33 11.634 -15.878 -3.097 1.00 61.42 C ATOM 2330 CG ASP B 33 12.040 -15.968 -4.584 1.00 62.15 C ATOM 2331 OD1 ASP B 33 11.272 -16.537 -5.391 1.00 62.41 O ATOM 2332 OD2 ASP B 33 13.135 -15.482 -4.952 1.00 71.35 O ATOM 0 H ASP B 33 11.245 -16.063 -0.624 1.00 13.12 H new ATOM 0 HA ASP B 33 11.153 -17.961 -2.757 1.00 71.44 H new ATOM 0 HB2 ASP B 33 10.593 -15.562 -3.034 1.00 61.42 H new ATOM 0 HB3 ASP B 33 12.231 -15.105 -2.614 1.00 61.42 H new ATOM 2337 N ILE B 34 14.116 -17.177 -1.529 1.00 22.45 N ATOM 2338 CA ILE B 34 15.526 -17.595 -1.430 1.00 21.20 C ATOM 2339 C ILE B 34 15.601 -18.997 -0.778 1.00 55.32 C ATOM 2340 O ILE B 34 16.406 -19.839 -1.185 1.00 64.12 O ATOM 2341 CB ILE B 34 16.387 -16.562 -0.596 1.00 55.31 C ATOM 2342 CG1 ILE B 34 16.279 -15.118 -1.192 1.00 51.21 C ATOM 2343 CG2 ILE B 34 17.870 -16.995 -0.491 1.00 75.22 C ATOM 2344 CD1 ILE B 34 16.696 -14.965 -2.645 1.00 11.51 C ATOM 0 H ILE B 34 13.855 -16.454 -0.859 1.00 22.45 H new ATOM 0 HA ILE B 34 15.942 -17.630 -2.437 1.00 21.20 H new ATOM 0 HB ILE B 34 15.973 -16.550 0.412 1.00 55.31 H new ATOM 0 HG12 ILE B 34 15.247 -14.782 -1.093 1.00 51.21 H new ATOM 0 HG13 ILE B 34 16.891 -14.450 -0.587 1.00 51.21 H new ATOM 0 HG21 ILE B 34 18.424 -16.257 0.090 1.00 75.22 H new ATOM 0 HG22 ILE B 34 17.932 -17.965 0.002 1.00 75.22 H new ATOM 0 HG23 ILE B 34 18.300 -17.067 -1.490 1.00 75.22 H new ATOM 0 HD11 ILE B 34 16.580 -13.925 -2.949 1.00 11.51 H new ATOM 0 HD12 ILE B 34 17.739 -15.261 -2.757 1.00 11.51 H new ATOM 0 HD13 ILE B 34 16.069 -15.599 -3.272 1.00 11.51 H new ATOM 2356 N GLY B 35 14.720 -19.232 0.214 1.00 51.30 N ATOM 2357 CA GLY B 35 14.672 -20.499 0.960 1.00 22.14 C ATOM 2358 C GLY B 35 15.308 -20.393 2.347 1.00 1.31 C ATOM 2359 O GLY B 35 15.743 -21.408 2.912 1.00 74.12 O ATOM 0 H GLY B 35 14.025 -18.550 0.518 1.00 51.30 H new ATOM 0 HA2 GLY B 35 13.634 -20.815 1.064 1.00 22.14 H new ATOM 0 HA3 GLY B 35 15.185 -21.272 0.388 1.00 22.14 H new ATOM 2363 N GLU B 36 15.353 -19.142 2.867 1.00 64.42 N ATOM 2364 CA GLU B 36 15.907 -18.766 4.183 1.00 52.23 C ATOM 2365 C GLU B 36 17.443 -18.855 4.160 1.00 12.14 C ATOM 2366 O GLU B 36 18.004 -19.893 3.811 1.00 35.04 O ATOM 2367 CB GLU B 36 15.295 -19.603 5.348 1.00 41.42 C ATOM 2368 CG GLU B 36 15.744 -19.165 6.758 1.00 62.12 C ATOM 2369 CD GLU B 36 15.187 -20.060 7.879 1.00 74.15 C ATOM 2370 OE1 GLU B 36 15.930 -20.927 8.399 1.00 33.33 O ATOM 2371 OE2 GLU B 36 13.999 -19.922 8.234 1.00 73.23 O ATOM 0 H GLU B 36 14.988 -18.337 2.357 1.00 64.42 H new ATOM 0 HA GLU B 36 15.626 -17.731 4.377 1.00 52.23 H new ATOM 0 HB2 GLU B 36 14.208 -19.540 5.291 1.00 41.42 H new ATOM 0 HB3 GLU B 36 15.562 -20.650 5.205 1.00 41.42 H new ATOM 0 HG2 GLU B 36 16.833 -19.173 6.804 1.00 62.12 H new ATOM 0 HG3 GLU B 36 15.425 -18.137 6.931 1.00 62.12 H new ATOM 2378 N SER B 37 18.120 -17.764 4.524 1.00 13.42 N ATOM 2379 CA SER B 37 19.585 -17.676 4.458 1.00 32.11 C ATOM 2380 C SER B 37 20.147 -16.888 5.645 1.00 60.03 C ATOM 2381 O SER B 37 19.436 -16.117 6.309 1.00 42.44 O ATOM 2382 CB SER B 37 20.011 -17.014 3.127 1.00 21.15 C ATOM 2383 OG SER B 37 19.660 -17.816 2.006 1.00 44.12 O ATOM 0 H SER B 37 17.672 -16.917 4.873 1.00 13.42 H new ATOM 0 HA SER B 37 19.991 -18.686 4.505 1.00 32.11 H new ATOM 0 HB2 SER B 37 19.537 -16.037 3.038 1.00 21.15 H new ATOM 0 HB3 SER B 37 21.088 -16.846 3.132 1.00 21.15 H new ATOM 0 HG SER B 37 19.956 -17.375 1.183 1.00 44.12 H new ATOM 2389 N ASP B 38 21.443 -17.109 5.880 1.00 70.11 N ATOM 2390 CA ASP B 38 22.246 -16.380 6.879 1.00 43.21 C ATOM 2391 C ASP B 38 22.623 -14.975 6.364 1.00 51.21 C ATOM 2392 O ASP B 38 23.116 -14.141 7.132 1.00 75.30 O ATOM 2393 CB ASP B 38 23.526 -17.192 7.207 1.00 24.44 C ATOM 2394 CG ASP B 38 23.223 -18.582 7.801 1.00 23.54 C ATOM 2395 OD1 ASP B 38 22.791 -19.486 7.045 1.00 5.41 O ATOM 2396 OD2 ASP B 38 23.417 -18.783 9.021 1.00 63.45 O ATOM 0 H ASP B 38 21.979 -17.813 5.373 1.00 70.11 H new ATOM 0 HA ASP B 38 21.652 -16.258 7.784 1.00 43.21 H new ATOM 0 HB2 ASP B 38 24.116 -17.312 6.298 1.00 24.44 H new ATOM 0 HB3 ASP B 38 24.137 -16.627 7.911 1.00 24.44 H new ATOM 2401 N SER B 39 22.409 -14.750 5.054 1.00 73.50 N ATOM 2402 CA SER B 39 22.619 -13.457 4.399 1.00 12.41 C ATOM 2403 C SER B 39 21.635 -12.398 4.946 1.00 52.14 C ATOM 2404 O SER B 39 20.426 -12.671 5.038 1.00 62.14 O ATOM 2405 CB SER B 39 22.427 -13.612 2.875 1.00 3.43 C ATOM 2406 OG SER B 39 23.268 -14.631 2.356 1.00 34.22 O ATOM 0 H SER B 39 22.081 -15.476 4.417 1.00 73.50 H new ATOM 0 HA SER B 39 23.635 -13.122 4.608 1.00 12.41 H new ATOM 0 HB2 SER B 39 21.386 -13.850 2.659 1.00 3.43 H new ATOM 0 HB3 SER B 39 22.647 -12.667 2.379 1.00 3.43 H new ATOM 0 HG SER B 39 23.127 -14.711 1.390 1.00 34.22 H new ATOM 2412 N PRO B 40 22.138 -11.185 5.343 1.00 23.31 N ATOM 2413 CA PRO B 40 21.262 -10.049 5.724 1.00 64.40 C ATOM 2414 C PRO B 40 20.489 -9.498 4.509 1.00 0.43 C ATOM 2415 O PRO B 40 20.868 -9.754 3.359 1.00 10.24 O ATOM 2416 CB PRO B 40 22.257 -9.009 6.295 1.00 71.24 C ATOM 2417 CG PRO B 40 23.579 -9.339 5.671 1.00 14.24 C ATOM 2418 CD PRO B 40 23.585 -10.835 5.472 1.00 52.54 C ATOM 0 HA PRO B 40 20.488 -10.328 6.439 1.00 64.40 H new ATOM 0 HB2 PRO B 40 21.949 -7.993 6.048 1.00 71.24 H new ATOM 0 HB3 PRO B 40 22.309 -9.071 7.382 1.00 71.24 H new ATOM 0 HG2 PRO B 40 23.702 -8.819 4.721 1.00 14.24 H new ATOM 0 HG3 PRO B 40 24.402 -9.028 6.314 1.00 14.24 H new ATOM 0 HD2 PRO B 40 24.146 -11.117 4.581 1.00 52.54 H new ATOM 0 HD3 PRO B 40 24.047 -11.349 6.315 1.00 52.54 H new ATOM 2426 N ILE B 41 19.394 -8.767 4.767 1.00 4.25 N ATOM 2427 CA ILE B 41 18.541 -8.189 3.710 1.00 44.32 C ATOM 2428 C ILE B 41 18.762 -6.658 3.666 1.00 41.52 C ATOM 2429 O ILE B 41 18.170 -5.921 4.467 1.00 12.42 O ATOM 2430 CB ILE B 41 17.014 -8.538 3.944 1.00 14.31 C ATOM 2431 CG1 ILE B 41 16.788 -10.089 4.042 1.00 21.22 C ATOM 2432 CG2 ILE B 41 16.104 -7.912 2.851 1.00 41.21 C ATOM 2433 CD1 ILE B 41 17.164 -10.887 2.796 1.00 24.12 C ATOM 0 H ILE B 41 19.073 -8.558 5.712 1.00 4.25 H new ATOM 0 HA ILE B 41 18.821 -8.623 2.750 1.00 44.32 H new ATOM 0 HB ILE B 41 16.730 -8.097 4.899 1.00 14.31 H new ATOM 0 HG12 ILE B 41 17.365 -10.470 4.884 1.00 21.22 H new ATOM 0 HG13 ILE B 41 15.737 -10.272 4.266 1.00 21.22 H new ATOM 0 HG21 ILE B 41 15.065 -8.175 3.048 1.00 41.21 H new ATOM 0 HG22 ILE B 41 16.212 -6.827 2.865 1.00 41.21 H new ATOM 0 HG23 ILE B 41 16.396 -8.294 1.872 1.00 41.21 H new ATOM 0 HD11 ILE B 41 16.969 -11.945 2.969 1.00 24.12 H new ATOM 0 HD12 ILE B 41 16.569 -10.542 1.950 1.00 24.12 H new ATOM 0 HD13 ILE B 41 18.222 -10.744 2.578 1.00 24.12 H new ATOM 2445 N PRO B 42 19.664 -6.152 2.762 1.00 51.20 N ATOM 2446 CA PRO B 42 19.869 -4.704 2.588 1.00 31.24 C ATOM 2447 C PRO B 42 18.745 -4.077 1.729 1.00 43.21 C ATOM 2448 O PRO B 42 18.390 -4.597 0.664 1.00 11.23 O ATOM 2449 CB PRO B 42 21.247 -4.625 1.896 1.00 23.21 C ATOM 2450 CG PRO B 42 21.351 -5.890 1.096 1.00 71.12 C ATOM 2451 CD PRO B 42 20.555 -6.940 1.854 1.00 60.24 C ATOM 0 HA PRO B 42 19.841 -4.147 3.524 1.00 31.24 H new ATOM 0 HB2 PRO B 42 21.318 -3.746 1.256 1.00 23.21 H new ATOM 0 HB3 PRO B 42 22.052 -4.553 2.627 1.00 23.21 H new ATOM 0 HG2 PRO B 42 20.951 -5.749 0.092 1.00 71.12 H new ATOM 0 HG3 PRO B 42 22.391 -6.196 0.985 1.00 71.12 H new ATOM 0 HD2 PRO B 42 19.976 -7.566 1.175 1.00 60.24 H new ATOM 0 HD3 PRO B 42 21.210 -7.604 2.419 1.00 60.24 H new ATOM 2459 N LEU B 43 18.163 -2.989 2.235 1.00 21.14 N ATOM 2460 CA LEU B 43 17.080 -2.243 1.582 1.00 12.51 C ATOM 2461 C LEU B 43 17.642 -0.889 1.063 1.00 72.34 C ATOM 2462 O LEU B 43 17.625 0.114 1.789 1.00 45.43 O ATOM 2463 CB LEU B 43 15.934 -2.055 2.620 1.00 75.32 C ATOM 2464 CG LEU B 43 15.385 -3.379 3.252 1.00 43.12 C ATOM 2465 CD1 LEU B 43 14.451 -3.096 4.450 1.00 0.14 C ATOM 2466 CD2 LEU B 43 14.700 -4.271 2.186 1.00 64.22 C ATOM 0 H LEU B 43 18.437 -2.590 3.133 1.00 21.14 H new ATOM 0 HA LEU B 43 16.678 -2.778 0.722 1.00 12.51 H new ATOM 0 HB2 LEU B 43 16.293 -1.410 3.422 1.00 75.32 H new ATOM 0 HB3 LEU B 43 15.109 -1.532 2.136 1.00 75.32 H new ATOM 0 HG LEU B 43 16.239 -3.934 3.640 1.00 43.12 H new ATOM 0 HD11 LEU B 43 14.091 -4.039 4.861 1.00 0.14 H new ATOM 0 HD12 LEU B 43 15.000 -2.551 5.218 1.00 0.14 H new ATOM 0 HD13 LEU B 43 13.603 -2.498 4.117 1.00 0.14 H new ATOM 0 HD21 LEU B 43 14.330 -5.182 2.657 1.00 64.22 H new ATOM 0 HD22 LEU B 43 13.866 -3.729 1.739 1.00 64.22 H new ATOM 0 HD23 LEU B 43 15.421 -4.531 1.411 1.00 64.22 H new ATOM 2478 N PRO B 44 18.189 -0.850 -0.205 1.00 60.25 N ATOM 2479 CA PRO B 44 18.912 0.337 -0.740 1.00 42.20 C ATOM 2480 C PRO B 44 17.974 1.459 -1.247 1.00 44.42 C ATOM 2481 O PRO B 44 18.441 2.533 -1.633 1.00 74.13 O ATOM 2482 CB PRO B 44 19.742 -0.277 -1.891 1.00 5.20 C ATOM 2483 CG PRO B 44 18.882 -1.385 -2.422 1.00 62.21 C ATOM 2484 CD PRO B 44 18.148 -1.953 -1.219 1.00 10.13 C ATOM 0 HA PRO B 44 19.506 0.840 0.023 1.00 42.20 H new ATOM 0 HB2 PRO B 44 19.959 0.462 -2.662 1.00 5.20 H new ATOM 0 HB3 PRO B 44 20.700 -0.654 -1.533 1.00 5.20 H new ATOM 0 HG2 PRO B 44 18.180 -1.012 -3.168 1.00 62.21 H new ATOM 0 HG3 PRO B 44 19.487 -2.151 -2.908 1.00 62.21 H new ATOM 0 HD2 PRO B 44 17.123 -2.224 -1.470 1.00 10.13 H new ATOM 0 HD3 PRO B 44 18.634 -2.855 -0.846 1.00 10.13 H new ATOM 2492 N ASN B 45 16.661 1.188 -1.242 1.00 31.22 N ATOM 2493 CA ASN B 45 15.628 2.152 -1.676 1.00 72.04 C ATOM 2494 C ASN B 45 15.299 3.135 -0.536 1.00 33.11 C ATOM 2495 O ASN B 45 15.164 4.343 -0.759 1.00 12.14 O ATOM 2496 CB ASN B 45 14.360 1.374 -2.116 1.00 62.25 C ATOM 2497 CG ASN B 45 13.177 2.266 -2.531 1.00 1.11 C ATOM 2498 OD1 ASN B 45 12.334 2.629 -1.710 1.00 11.33 O ATOM 2499 ND2 ASN B 45 13.109 2.617 -3.803 1.00 4.13 N ATOM 0 H ASN B 45 16.280 0.293 -0.937 1.00 31.22 H new ATOM 0 HA ASN B 45 16.002 2.732 -2.520 1.00 72.04 H new ATOM 0 HB2 ASN B 45 14.619 0.724 -2.952 1.00 62.25 H new ATOM 0 HB3 ASN B 45 14.042 0.729 -1.297 1.00 62.25 H new ATOM 0 HD21 ASN B 45 12.342 3.205 -4.129 1.00 4.13 H new ATOM 0 HD22 ASN B 45 13.823 2.300 -4.458 1.00 4.13 H new ATOM 2506 N VAL B 46 15.196 2.599 0.688 1.00 52.24 N ATOM 2507 CA VAL B 46 14.744 3.356 1.873 1.00 3.31 C ATOM 2508 C VAL B 46 15.955 3.766 2.746 1.00 51.43 C ATOM 2509 O VAL B 46 16.871 2.966 2.960 1.00 53.33 O ATOM 2510 CB VAL B 46 13.700 2.510 2.699 1.00 10.54 C ATOM 2511 CG1 VAL B 46 14.294 1.168 3.183 1.00 64.24 C ATOM 2512 CG2 VAL B 46 13.105 3.323 3.872 1.00 44.33 C ATOM 0 H VAL B 46 15.424 1.625 0.889 1.00 52.24 H new ATOM 0 HA VAL B 46 14.248 4.268 1.541 1.00 3.31 H new ATOM 0 HB VAL B 46 12.881 2.270 2.021 1.00 10.54 H new ATOM 0 HG11 VAL B 46 13.540 0.619 3.747 1.00 64.24 H new ATOM 0 HG12 VAL B 46 14.605 0.576 2.322 1.00 64.24 H new ATOM 0 HG13 VAL B 46 15.156 1.361 3.822 1.00 64.24 H new ATOM 0 HG21 VAL B 46 12.390 2.706 4.417 1.00 44.33 H new ATOM 0 HG22 VAL B 46 13.906 3.631 4.545 1.00 44.33 H new ATOM 0 HG23 VAL B 46 12.599 4.206 3.483 1.00 44.33 H new ATOM 2522 N THR B 47 15.950 5.025 3.231 1.00 74.13 N ATOM 2523 CA THR B 47 17.014 5.562 4.106 1.00 52.44 C ATOM 2524 C THR B 47 16.811 5.105 5.560 1.00 0.42 C ATOM 2525 O THR B 47 15.773 4.531 5.896 1.00 10.25 O ATOM 2526 CB THR B 47 17.049 7.120 4.045 1.00 42.45 C ATOM 2527 OG1 THR B 47 15.755 7.631 4.389 1.00 21.12 O ATOM 2528 CG2 THR B 47 17.452 7.634 2.653 1.00 0.32 C ATOM 0 H THR B 47 15.210 5.697 3.028 1.00 74.13 H new ATOM 0 HA THR B 47 17.966 5.173 3.745 1.00 52.44 H new ATOM 0 HB THR B 47 17.800 7.469 4.754 1.00 42.45 H new ATOM 0 HG1 THR B 47 15.770 8.610 4.354 1.00 21.12 H new ATOM 0 HG21 THR B 47 17.463 8.724 2.657 1.00 0.32 H new ATOM 0 HG22 THR B 47 18.445 7.262 2.401 1.00 0.32 H new ATOM 0 HG23 THR B 47 16.734 7.281 1.913 1.00 0.32 H new ATOM 2536 N SER B 48 17.810 5.391 6.410 1.00 60.31 N ATOM 2537 CA SER B 48 17.824 4.979 7.824 1.00 51.34 C ATOM 2538 C SER B 48 16.701 5.642 8.630 1.00 42.13 C ATOM 2539 O SER B 48 15.990 4.971 9.372 1.00 21.31 O ATOM 2540 CB SER B 48 19.186 5.331 8.437 1.00 45.44 C ATOM 2541 OG SER B 48 19.498 6.701 8.230 1.00 3.32 O ATOM 0 H SER B 48 18.638 5.919 6.134 1.00 60.31 H new ATOM 0 HA SER B 48 17.658 3.903 7.864 1.00 51.34 H new ATOM 0 HB2 SER B 48 19.175 5.114 9.505 1.00 45.44 H new ATOM 0 HB3 SER B 48 19.961 4.707 7.993 1.00 45.44 H new ATOM 0 HG SER B 48 20.471 6.816 8.216 1.00 3.32 H new ATOM 2547 N THR B 49 16.564 6.963 8.458 1.00 21.31 N ATOM 2548 CA THR B 49 15.595 7.798 9.188 1.00 53.33 C ATOM 2549 C THR B 49 14.138 7.363 8.921 1.00 21.42 C ATOM 2550 O THR B 49 13.292 7.397 9.825 1.00 33.43 O ATOM 2551 CB THR B 49 15.791 9.290 8.774 1.00 3.01 C ATOM 2552 OG1 THR B 49 15.735 9.381 7.338 1.00 71.21 O ATOM 2553 CG2 THR B 49 17.143 9.854 9.271 1.00 73.31 C ATOM 0 H THR B 49 17.132 7.493 7.797 1.00 21.31 H new ATOM 0 HA THR B 49 15.778 7.675 10.255 1.00 53.33 H new ATOM 0 HB THR B 49 14.998 9.880 9.233 1.00 3.01 H new ATOM 0 HG1 THR B 49 15.855 10.314 7.064 1.00 71.21 H new ATOM 0 HG21 THR B 49 17.239 10.895 8.961 1.00 73.31 H new ATOM 0 HG22 THR B 49 17.185 9.794 10.359 1.00 73.31 H new ATOM 0 HG23 THR B 49 17.959 9.272 8.844 1.00 73.31 H new ATOM 2561 N ILE B 50 13.869 6.942 7.675 1.00 42.23 N ATOM 2562 CA ILE B 50 12.531 6.523 7.239 1.00 2.21 C ATOM 2563 C ILE B 50 12.261 5.071 7.682 1.00 70.32 C ATOM 2564 O ILE B 50 11.223 4.783 8.290 1.00 23.24 O ATOM 2565 CB ILE B 50 12.391 6.668 5.675 1.00 73.12 C ATOM 2566 CG1 ILE B 50 12.716 8.133 5.230 1.00 54.42 C ATOM 2567 CG2 ILE B 50 10.997 6.234 5.173 1.00 54.54 C ATOM 2568 CD1 ILE B 50 11.904 9.222 5.923 1.00 41.32 C ATOM 0 H ILE B 50 14.576 6.883 6.942 1.00 42.23 H new ATOM 0 HA ILE B 50 11.789 7.170 7.706 1.00 2.21 H new ATOM 0 HB ILE B 50 13.116 5.995 5.218 1.00 73.12 H new ATOM 0 HG12 ILE B 50 13.774 8.323 5.409 1.00 54.42 H new ATOM 0 HG13 ILE B 50 12.555 8.212 4.155 1.00 54.42 H new ATOM 0 HG21 ILE B 50 10.947 6.351 4.090 1.00 54.54 H new ATOM 0 HG22 ILE B 50 10.826 5.189 5.433 1.00 54.54 H new ATOM 0 HG23 ILE B 50 10.232 6.855 5.641 1.00 54.54 H new ATOM 0 HD11 ILE B 50 12.206 10.198 5.544 1.00 41.32 H new ATOM 0 HD12 ILE B 50 10.844 9.067 5.724 1.00 41.32 H new ATOM 0 HD13 ILE B 50 12.081 9.180 6.998 1.00 41.32 H new ATOM 2580 N LEU B 51 13.251 4.189 7.424 1.00 12.44 N ATOM 2581 CA LEU B 51 13.175 2.744 7.746 1.00 42.31 C ATOM 2582 C LEU B 51 13.061 2.522 9.267 1.00 23.03 C ATOM 2583 O LEU B 51 12.434 1.553 9.714 1.00 64.40 O ATOM 2584 CB LEU B 51 14.420 1.991 7.180 1.00 15.10 C ATOM 2585 CG LEU B 51 14.428 0.431 7.330 1.00 24.45 C ATOM 2586 CD1 LEU B 51 13.169 -0.201 6.697 1.00 52.51 C ATOM 2587 CD2 LEU B 51 15.717 -0.189 6.736 1.00 51.10 C ATOM 0 H LEU B 51 14.131 4.459 6.984 1.00 12.44 H new ATOM 0 HA LEU B 51 12.279 2.341 7.275 1.00 42.31 H new ATOM 0 HB2 LEU B 51 14.510 2.231 6.121 1.00 15.10 H new ATOM 0 HB3 LEU B 51 15.309 2.385 7.673 1.00 15.10 H new ATOM 0 HG LEU B 51 14.414 0.208 8.397 1.00 24.45 H new ATOM 0 HD11 LEU B 51 13.205 -1.284 6.818 1.00 52.51 H new ATOM 0 HD12 LEU B 51 12.279 0.190 7.190 1.00 52.51 H new ATOM 0 HD13 LEU B 51 13.133 0.044 5.636 1.00 52.51 H new ATOM 0 HD21 LEU B 51 15.689 -1.272 6.857 1.00 51.10 H new ATOM 0 HD22 LEU B 51 15.784 0.056 5.676 1.00 51.10 H new ATOM 0 HD23 LEU B 51 16.587 0.212 7.256 1.00 51.10 H new ATOM 2599 N GLU B 52 13.655 3.450 10.043 1.00 71.34 N ATOM 2600 CA GLU B 52 13.652 3.403 11.512 1.00 24.22 C ATOM 2601 C GLU B 52 12.223 3.487 12.051 1.00 12.22 C ATOM 2602 O GLU B 52 11.810 2.629 12.818 1.00 33.41 O ATOM 2603 CB GLU B 52 14.522 4.543 12.109 1.00 50.21 C ATOM 2604 CG GLU B 52 14.657 4.492 13.646 1.00 64.53 C ATOM 2605 CD GLU B 52 15.605 5.559 14.202 1.00 24.33 C ATOM 2606 OE1 GLU B 52 15.152 6.685 14.486 1.00 14.21 O ATOM 2607 OE2 GLU B 52 16.817 5.282 14.347 1.00 41.05 O ATOM 0 H GLU B 52 14.152 4.256 9.663 1.00 71.34 H new ATOM 0 HA GLU B 52 14.084 2.450 11.817 1.00 24.22 H new ATOM 0 HB2 GLU B 52 15.517 4.497 11.666 1.00 50.21 H new ATOM 0 HB3 GLU B 52 14.090 5.502 11.824 1.00 50.21 H new ATOM 0 HG2 GLU B 52 13.672 4.620 14.096 1.00 64.53 H new ATOM 0 HG3 GLU B 52 15.017 3.506 13.941 1.00 64.53 H new ATOM 2614 N LYS B 53 11.466 4.502 11.585 1.00 55.44 N ATOM 2615 CA LYS B 53 10.084 4.763 12.051 1.00 4.54 C ATOM 2616 C LYS B 53 9.157 3.592 11.682 1.00 75.11 C ATOM 2617 O LYS B 53 8.300 3.185 12.473 1.00 42.43 O ATOM 2618 CB LYS B 53 9.502 6.053 11.413 1.00 33.54 C ATOM 2619 CG LYS B 53 10.434 7.271 11.391 1.00 25.33 C ATOM 2620 CD LYS B 53 9.715 8.535 10.860 1.00 3.01 C ATOM 2621 CE LYS B 53 10.680 9.605 10.345 1.00 4.15 C ATOM 2622 NZ LYS B 53 11.699 9.984 11.352 1.00 24.51 N ATOM 0 H LYS B 53 11.792 5.162 10.879 1.00 55.44 H new ATOM 0 HA LYS B 53 10.134 4.882 13.133 1.00 4.54 H new ATOM 0 HB2 LYS B 53 9.208 5.827 10.388 1.00 33.54 H new ATOM 0 HB3 LYS B 53 8.595 6.324 11.953 1.00 33.54 H new ATOM 0 HG2 LYS B 53 10.808 7.461 12.397 1.00 25.33 H new ATOM 0 HG3 LYS B 53 11.300 7.055 10.765 1.00 25.33 H new ATOM 0 HD2 LYS B 53 9.037 8.249 10.056 1.00 3.01 H new ATOM 0 HD3 LYS B 53 9.104 8.959 11.657 1.00 3.01 H new ATOM 0 HE2 LYS B 53 11.179 9.238 9.448 1.00 4.15 H new ATOM 0 HE3 LYS B 53 10.114 10.490 10.055 1.00 4.15 H new ATOM 0 HZ1 LYS B 53 12.251 10.792 11.000 1.00 24.51 H new ATOM 0 HZ2 LYS B 53 11.228 10.248 12.241 1.00 24.51 H new ATOM 0 HZ3 LYS B 53 12.334 9.178 11.523 1.00 24.51 H new ATOM 2636 N VAL B 54 9.345 3.095 10.448 1.00 24.12 N ATOM 2637 CA VAL B 54 8.552 2.003 9.877 1.00 4.24 C ATOM 2638 C VAL B 54 8.705 0.722 10.729 1.00 73.11 C ATOM 2639 O VAL B 54 7.710 0.135 11.170 1.00 14.41 O ATOM 2640 CB VAL B 54 8.971 1.749 8.376 1.00 63.25 C ATOM 2641 CG1 VAL B 54 8.262 0.518 7.783 1.00 53.24 C ATOM 2642 CG2 VAL B 54 8.699 3.004 7.505 1.00 42.20 C ATOM 0 H VAL B 54 10.062 3.448 9.814 1.00 24.12 H new ATOM 0 HA VAL B 54 7.500 2.287 9.888 1.00 4.24 H new ATOM 0 HB VAL B 54 10.042 1.547 8.371 1.00 63.25 H new ATOM 0 HG11 VAL B 54 8.578 0.379 6.749 1.00 53.24 H new ATOM 0 HG12 VAL B 54 8.522 -0.367 8.364 1.00 53.24 H new ATOM 0 HG13 VAL B 54 7.183 0.669 7.815 1.00 53.24 H new ATOM 0 HG21 VAL B 54 8.996 2.804 6.476 1.00 42.20 H new ATOM 0 HG22 VAL B 54 7.636 3.245 7.536 1.00 42.20 H new ATOM 0 HG23 VAL B 54 9.273 3.846 7.891 1.00 42.20 H new ATOM 2652 N LEU B 55 9.964 0.350 11.005 1.00 51.13 N ATOM 2653 CA LEU B 55 10.299 -0.851 11.800 1.00 31.11 C ATOM 2654 C LEU B 55 9.990 -0.653 13.297 1.00 64.12 C ATOM 2655 O LEU B 55 9.705 -1.622 13.993 1.00 45.21 O ATOM 2656 CB LEU B 55 11.789 -1.237 11.600 1.00 14.41 C ATOM 2657 CG LEU B 55 12.186 -1.734 10.172 1.00 25.54 C ATOM 2658 CD1 LEU B 55 13.687 -2.097 10.113 1.00 61.31 C ATOM 2659 CD2 LEU B 55 11.302 -2.920 9.708 1.00 75.12 C ATOM 0 H LEU B 55 10.781 0.870 10.686 1.00 51.13 H new ATOM 0 HA LEU B 55 9.671 -1.666 11.441 1.00 31.11 H new ATOM 0 HB2 LEU B 55 12.403 -0.371 11.845 1.00 14.41 H new ATOM 0 HB3 LEU B 55 12.040 -2.019 12.317 1.00 14.41 H new ATOM 0 HG LEU B 55 12.009 -0.912 9.478 1.00 25.54 H new ATOM 0 HD11 LEU B 55 13.939 -2.440 9.110 1.00 61.31 H new ATOM 0 HD12 LEU B 55 14.284 -1.218 10.357 1.00 61.31 H new ATOM 0 HD13 LEU B 55 13.898 -2.889 10.831 1.00 61.31 H new ATOM 0 HD21 LEU B 55 11.610 -3.235 8.711 1.00 75.12 H new ATOM 0 HD22 LEU B 55 11.415 -3.752 10.403 1.00 75.12 H new ATOM 0 HD23 LEU B 55 10.258 -2.608 9.683 1.00 75.12 H new ATOM 2671 N ASP B 56 10.060 0.606 13.767 1.00 0.02 N ATOM 2672 CA ASP B 56 9.803 0.980 15.179 1.00 4.13 C ATOM 2673 C ASP B 56 8.318 0.786 15.537 1.00 5.05 C ATOM 2674 O ASP B 56 7.989 0.146 16.550 1.00 65.11 O ATOM 2675 CB ASP B 56 10.231 2.454 15.419 1.00 61.14 C ATOM 2676 CG ASP B 56 9.923 2.982 16.831 1.00 75.33 C ATOM 2677 OD1 ASP B 56 10.509 2.462 17.805 1.00 73.45 O ATOM 2678 OD2 ASP B 56 9.097 3.913 16.970 1.00 24.11 O ATOM 0 H ASP B 56 10.298 1.403 13.176 1.00 0.02 H new ATOM 0 HA ASP B 56 10.392 0.328 15.824 1.00 4.13 H new ATOM 0 HB2 ASP B 56 11.302 2.543 15.236 1.00 61.14 H new ATOM 0 HB3 ASP B 56 9.729 3.089 14.689 1.00 61.14 H new ATOM 2683 N TYR B 57 7.436 1.342 14.685 1.00 74.21 N ATOM 2684 CA TYR B 57 5.980 1.197 14.832 1.00 51.34 C ATOM 2685 C TYR B 57 5.580 -0.288 14.757 1.00 53.03 C ATOM 2686 O TYR B 57 4.824 -0.766 15.601 1.00 32.41 O ATOM 2687 CB TYR B 57 5.218 2.009 13.742 1.00 2.34 C ATOM 2688 CG TYR B 57 3.686 1.790 13.752 1.00 43.03 C ATOM 2689 CD1 TYR B 57 3.075 0.809 12.948 1.00 70.41 C ATOM 2690 CD2 TYR B 57 2.859 2.524 14.604 1.00 72.24 C ATOM 2691 CE1 TYR B 57 1.721 0.573 12.998 1.00 62.32 C ATOM 2692 CE2 TYR B 57 1.497 2.295 14.642 1.00 52.23 C ATOM 2693 CZ TYR B 57 0.937 1.315 13.844 1.00 63.02 C ATOM 2694 OH TYR B 57 -0.414 1.053 13.917 1.00 14.54 O ATOM 0 H TYR B 57 7.714 1.902 13.879 1.00 74.21 H new ATOM 0 HA TYR B 57 5.702 1.594 15.808 1.00 51.34 H new ATOM 0 HB2 TYR B 57 5.424 3.070 13.883 1.00 2.34 H new ATOM 0 HB3 TYR B 57 5.608 1.736 12.761 1.00 2.34 H new ATOM 0 HD1 TYR B 57 3.686 0.226 12.274 1.00 70.41 H new ATOM 0 HD2 TYR B 57 3.290 3.281 15.242 1.00 72.24 H new ATOM 0 HE1 TYR B 57 1.278 -0.191 12.376 1.00 62.32 H new ATOM 0 HE2 TYR B 57 0.869 2.882 15.296 1.00 52.23 H new ATOM 0 HH TYR B 57 -0.831 1.662 14.561 1.00 14.54 H new ATOM 2704 N CYS B 58 6.100 -0.990 13.727 1.00 1.34 N ATOM 2705 CA CYS B 58 5.795 -2.415 13.474 1.00 74.24 C ATOM 2706 C CYS B 58 6.326 -3.322 14.601 1.00 13.11 C ATOM 2707 O CYS B 58 5.728 -4.362 14.898 1.00 63.41 O ATOM 2708 CB CYS B 58 6.369 -2.843 12.108 1.00 32.21 C ATOM 2709 SG CYS B 58 5.685 -1.906 10.734 1.00 15.34 S ATOM 0 H CYS B 58 6.743 -0.584 13.047 1.00 1.34 H new ATOM 0 HA CYS B 58 4.711 -2.529 13.454 1.00 74.24 H new ATOM 0 HB2 CYS B 58 7.452 -2.721 12.121 1.00 32.21 H new ATOM 0 HB3 CYS B 58 6.170 -3.903 11.952 1.00 32.21 H new ATOM 0 HG CYS B 58 6.484 -0.924 10.438 1.00 15.34 H new ATOM 2715 N ARG B 59 7.450 -2.908 15.218 1.00 2.21 N ATOM 2716 CA ARG B 59 8.040 -3.600 16.381 1.00 4.42 C ATOM 2717 C ARG B 59 7.088 -3.522 17.575 1.00 31.45 C ATOM 2718 O ARG B 59 6.752 -4.547 18.168 1.00 31.40 O ATOM 2719 CB ARG B 59 9.426 -3.000 16.744 1.00 23.31 C ATOM 2720 CG ARG B 59 10.074 -3.575 18.022 1.00 74.21 C ATOM 2721 CD ARG B 59 11.483 -3.010 18.275 1.00 2.15 C ATOM 2722 NE ARG B 59 11.503 -1.536 18.340 1.00 10.41 N ATOM 2723 CZ ARG B 59 12.607 -0.786 18.492 1.00 73.12 C ATOM 2724 NH1 ARG B 59 13.812 -1.349 18.602 1.00 51.30 N ATOM 2725 NH2 ARG B 59 12.493 0.532 18.527 1.00 41.14 N ATOM 0 H ARG B 59 7.975 -2.084 14.924 1.00 2.21 H new ATOM 0 HA ARG B 59 8.190 -4.647 16.119 1.00 4.42 H new ATOM 0 HB2 ARG B 59 10.105 -3.161 15.907 1.00 23.31 H new ATOM 0 HB3 ARG B 59 9.318 -1.922 16.863 1.00 23.31 H new ATOM 0 HG2 ARG B 59 9.438 -3.353 18.879 1.00 74.21 H new ATOM 0 HG3 ARG B 59 10.131 -4.660 17.940 1.00 74.21 H new ATOM 0 HD2 ARG B 59 11.870 -3.416 19.210 1.00 2.15 H new ATOM 0 HD3 ARG B 59 12.152 -3.344 17.481 1.00 2.15 H new ATOM 0 HE ARG B 59 10.610 -1.049 18.264 1.00 10.41 H new ATOM 0 HH11 ARG B 59 13.905 -2.364 18.571 1.00 51.30 H new ATOM 0 HH12 ARG B 59 14.640 -0.764 18.717 1.00 51.30 H new ATOM 0 HH21 ARG B 59 11.575 0.967 18.439 1.00 41.14 H new ATOM 0 HH22 ARG B 59 13.324 1.113 18.642 1.00 41.14 H new ATOM 2739 N HIS B 60 6.640 -2.297 17.878 1.00 72.21 N ATOM 2740 CA HIS B 60 5.678 -2.019 18.960 1.00 42.25 C ATOM 2741 C HIS B 60 4.318 -2.692 18.693 1.00 72.20 C ATOM 2742 O HIS B 60 3.650 -3.156 19.625 1.00 64.03 O ATOM 2743 CB HIS B 60 5.506 -0.495 19.117 1.00 15.10 C ATOM 2744 CG HIS B 60 4.458 -0.082 20.117 1.00 64.11 C ATOM 2745 ND1 HIS B 60 3.191 0.302 19.747 1.00 32.34 N ATOM 2746 CD2 HIS B 60 4.484 -0.006 21.468 1.00 2.04 C ATOM 2747 CE1 HIS B 60 2.489 0.597 20.817 1.00 44.44 C ATOM 2748 NE2 HIS B 60 3.249 0.420 21.875 1.00 23.10 N ATOM 0 H HIS B 60 6.936 -1.460 17.376 1.00 72.21 H new ATOM 0 HA HIS B 60 6.071 -2.437 19.887 1.00 42.25 H new ATOM 0 HB2 HIS B 60 6.462 -0.063 19.413 1.00 15.10 H new ATOM 0 HB3 HIS B 60 5.251 -0.069 18.146 1.00 15.10 H new ATOM 0 HD2 HIS B 60 5.324 -0.238 22.106 1.00 2.04 H new ATOM 0 HE1 HIS B 60 1.461 0.929 20.826 1.00 44.44 H new ATOM 0 HE2 HIS B 60 2.964 0.575 22.842 1.00 23.10 H new ATOM 2757 N HIS B 61 3.931 -2.744 17.411 1.00 55.13 N ATOM 2758 CA HIS B 61 2.666 -3.359 16.973 1.00 73.53 C ATOM 2759 C HIS B 61 2.788 -4.894 17.014 1.00 12.20 C ATOM 2760 O HIS B 61 1.787 -5.602 17.013 1.00 0.14 O ATOM 2761 CB HIS B 61 2.292 -2.868 15.542 1.00 73.21 C ATOM 2762 CG HIS B 61 0.842 -3.080 15.172 1.00 71.42 C ATOM 2763 ND1 HIS B 61 0.289 -4.328 14.966 1.00 62.11 N ATOM 2764 CD2 HIS B 61 -0.176 -2.195 15.004 1.00 62.43 C ATOM 2765 CE1 HIS B 61 -0.994 -4.203 14.691 1.00 34.14 C ATOM 2766 NE2 HIS B 61 -1.299 -2.921 14.708 1.00 64.45 N ATOM 0 H HIS B 61 4.486 -2.361 16.646 1.00 55.13 H new ATOM 0 HA HIS B 61 1.869 -3.057 17.652 1.00 73.53 H new ATOM 0 HB2 HIS B 61 2.524 -1.806 15.463 1.00 73.21 H new ATOM 0 HB3 HIS B 61 2.920 -3.386 14.817 1.00 73.21 H new ATOM 0 HD1 HIS B 61 0.796 -5.212 15.019 1.00 62.11 H new ATOM 0 HD2 HIS B 61 -0.111 -1.120 15.088 1.00 62.43 H new ATOM 0 HE1 HIS B 61 -1.679 -5.013 14.487 1.00 34.14 H new ATOM 2775 N HIS B 62 4.033 -5.401 17.011 1.00 14.44 N ATOM 2776 CA HIS B 62 4.316 -6.829 17.226 1.00 4.35 C ATOM 2777 C HIS B 62 4.333 -7.144 18.737 1.00 2.51 C ATOM 2778 O HIS B 62 3.998 -8.258 19.146 1.00 74.31 O ATOM 2779 CB HIS B 62 5.656 -7.214 16.561 1.00 53.23 C ATOM 2780 CG HIS B 62 5.989 -8.676 16.664 1.00 12.32 C ATOM 2781 ND1 HIS B 62 5.377 -9.639 15.894 1.00 21.11 N ATOM 2782 CD2 HIS B 62 6.843 -9.338 17.482 1.00 64.00 C ATOM 2783 CE1 HIS B 62 5.833 -10.825 16.236 1.00 44.31 C ATOM 2784 NE2 HIS B 62 6.725 -10.667 17.195 1.00 54.51 N ATOM 0 H HIS B 62 4.868 -4.834 16.860 1.00 14.44 H new ATOM 0 HA HIS B 62 3.528 -7.423 16.764 1.00 4.35 H new ATOM 0 HB2 HIS B 62 5.622 -6.932 15.509 1.00 53.23 H new ATOM 0 HB3 HIS B 62 6.458 -6.636 17.020 1.00 53.23 H new ATOM 0 HD2 HIS B 62 7.494 -8.897 18.222 1.00 64.00 H new ATOM 0 HE1 HIS B 62 5.529 -11.767 15.805 1.00 44.31 H new ATOM 0 HE2 HIS B 62 7.244 -11.418 17.650 1.00 54.51 H new ATOM 2793 N GLN B 63 4.729 -6.150 19.558 1.00 44.02 N ATOM 2794 CA GLN B 63 4.723 -6.285 21.034 1.00 4.21 C ATOM 2795 C GLN B 63 3.274 -6.313 21.549 1.00 53.44 C ATOM 2796 O GLN B 63 2.967 -6.974 22.541 1.00 60.43 O ATOM 2797 CB GLN B 63 5.506 -5.130 21.729 1.00 53.33 C ATOM 2798 CG GLN B 63 6.963 -4.909 21.258 1.00 61.42 C ATOM 2799 CD GLN B 63 7.808 -6.184 21.212 1.00 23.51 C ATOM 2800 OE1 GLN B 63 8.408 -6.577 22.214 1.00 5.03 O ATOM 2801 NE2 GLN B 63 7.896 -6.806 20.040 1.00 53.14 N ATOM 0 H GLN B 63 5.058 -5.243 19.226 1.00 44.02 H new ATOM 0 HA GLN B 63 5.224 -7.221 21.281 1.00 4.21 H new ATOM 0 HB2 GLN B 63 4.953 -4.203 21.578 1.00 53.33 H new ATOM 0 HB3 GLN B 63 5.519 -5.322 22.802 1.00 53.33 H new ATOM 0 HG2 GLN B 63 6.948 -4.461 20.265 1.00 61.42 H new ATOM 0 HG3 GLN B 63 7.443 -4.192 21.924 1.00 61.42 H new ATOM 0 HE21 GLN B 63 7.383 -6.449 19.234 1.00 53.14 H new ATOM 0 HE22 GLN B 63 8.476 -7.640 19.948 1.00 53.14 H new ATOM 2810 N HIS B 64 2.397 -5.556 20.864 1.00 21.40 N ATOM 2811 CA HIS B 64 0.955 -5.521 21.137 1.00 62.12 C ATOM 2812 C HIS B 64 0.203 -5.762 19.808 1.00 4.43 C ATOM 2813 O HIS B 64 -0.192 -4.800 19.131 1.00 23.23 O ATOM 2814 CB HIS B 64 0.546 -4.165 21.787 1.00 21.33 C ATOM 2815 CG HIS B 64 1.216 -3.890 23.107 1.00 10.24 C ATOM 2816 ND1 HIS B 64 0.686 -4.276 24.316 1.00 12.23 N ATOM 2817 CD2 HIS B 64 2.391 -3.281 23.398 1.00 22.45 C ATOM 2818 CE1 HIS B 64 1.498 -3.921 25.289 1.00 60.13 C ATOM 2819 NE2 HIS B 64 2.544 -3.317 24.763 1.00 50.01 N ATOM 0 H HIS B 64 2.677 -4.945 20.097 1.00 21.40 H new ATOM 0 HA HIS B 64 0.691 -6.303 21.849 1.00 62.12 H new ATOM 0 HB2 HIS B 64 0.784 -3.357 21.096 1.00 21.33 H new ATOM 0 HB3 HIS B 64 -0.534 -4.154 21.931 1.00 21.33 H new ATOM 0 HD2 HIS B 64 3.080 -2.847 22.688 1.00 22.45 H new ATOM 0 HE1 HIS B 64 1.334 -4.096 26.342 1.00 60.13 H new ATOM 0 HE2 HIS B 64 3.336 -2.939 25.283 1.00 50.01 H new ATOM 2828 N PRO B 65 0.050 -7.063 19.374 1.00 75.14 N ATOM 2829 CA PRO B 65 -0.606 -7.410 18.082 1.00 53.34 C ATOM 2830 C PRO B 65 -2.120 -7.109 18.058 1.00 64.11 C ATOM 2831 O PRO B 65 -2.700 -6.916 16.981 1.00 34.30 O ATOM 2832 CB PRO B 65 -0.309 -8.924 17.929 1.00 31.31 C ATOM 2833 CG PRO B 65 -0.131 -9.424 19.329 1.00 63.40 C ATOM 2834 CD PRO B 65 0.534 -8.291 20.082 1.00 62.31 C ATOM 0 HA PRO B 65 -0.224 -6.809 17.257 1.00 53.34 H new ATOM 0 HB2 PRO B 65 -1.128 -9.439 17.427 1.00 31.31 H new ATOM 0 HB3 PRO B 65 0.587 -9.093 17.332 1.00 31.31 H new ATOM 0 HG2 PRO B 65 -1.090 -9.684 19.778 1.00 63.40 H new ATOM 0 HG3 PRO B 65 0.485 -10.323 19.349 1.00 63.40 H new ATOM 0 HD2 PRO B 65 0.247 -8.286 21.134 1.00 62.31 H new ATOM 0 HD3 PRO B 65 1.621 -8.371 20.048 1.00 62.31 H new ATOM 2842 N GLY B 66 -2.740 -7.040 19.246 1.00 54.30 N ATOM 2843 CA GLY B 66 -4.171 -6.787 19.360 1.00 35.22 C ATOM 2844 C GLY B 66 -4.581 -6.569 20.802 1.00 10.01 C ATOM 2845 O GLY B 66 -3.893 -5.842 21.529 1.00 42.11 O ATOM 0 H GLY B 66 -2.264 -7.157 20.140 1.00 54.30 H new ATOM 0 HA2 GLY B 66 -4.435 -5.910 18.769 1.00 35.22 H new ATOM 0 HA3 GLY B 66 -4.725 -7.630 18.946 1.00 35.22 H new ATOM 2849 N GLY B 67 -5.701 -7.193 21.211 1.00 41.13 N ATOM 2850 CA GLY B 67 -6.224 -7.076 22.576 1.00 45.02 C ATOM 2851 C GLY B 67 -6.989 -5.775 22.783 1.00 61.31 C ATOM 2852 O GLY B 67 -8.215 -5.772 22.951 1.00 64.14 O ATOM 0 H GLY B 67 -6.264 -7.789 20.604 1.00 41.13 H new ATOM 0 HA2 GLY B 67 -6.880 -7.920 22.787 1.00 45.02 H new ATOM 0 HA3 GLY B 67 -5.399 -7.129 23.286 1.00 45.02 H new ATOM 2856 N SER B 68 -6.255 -4.653 22.743 1.00 72.53 N ATOM 2857 CA SER B 68 -6.805 -3.299 22.892 1.00 4.32 C ATOM 2858 C SER B 68 -6.132 -2.353 21.876 1.00 72.40 C ATOM 2859 O SER B 68 -5.352 -2.799 21.019 1.00 51.24 O ATOM 2860 CB SER B 68 -6.587 -2.816 24.347 1.00 74.54 C ATOM 2861 OG SER B 68 -7.219 -3.688 25.275 1.00 33.30 O ATOM 0 H SER B 68 -5.245 -4.662 22.604 1.00 72.53 H new ATOM 0 HA SER B 68 -7.876 -3.303 22.690 1.00 4.32 H new ATOM 0 HB2 SER B 68 -5.519 -2.765 24.560 1.00 74.54 H new ATOM 0 HB3 SER B 68 -6.984 -1.807 24.462 1.00 74.54 H new ATOM 0 HG SER B 68 -7.065 -3.363 26.187 1.00 33.30 H new ATOM 2867 N GLY B 69 -6.458 -1.052 21.963 1.00 12.44 N ATOM 2868 CA GLY B 69 -5.889 -0.030 21.075 1.00 45.32 C ATOM 2869 C GLY B 69 -6.834 0.372 19.951 1.00 60.34 C ATOM 2870 O GLY B 69 -6.744 1.485 19.433 1.00 3.33 O ATOM 0 H GLY B 69 -7.119 -0.683 22.647 1.00 12.44 H new ATOM 0 HA2 GLY B 69 -5.634 0.853 21.662 1.00 45.32 H new ATOM 0 HA3 GLY B 69 -4.961 -0.406 20.645 1.00 45.32 H new ATOM 2874 N LEU B 70 -7.746 -0.543 19.580 1.00 74.12 N ATOM 2875 CA LEU B 70 -8.722 -0.322 18.493 1.00 63.22 C ATOM 2876 C LEU B 70 -9.746 0.771 18.884 1.00 40.44 C ATOM 2877 O LEU B 70 -10.069 1.646 18.074 1.00 4.53 O ATOM 2878 CB LEU B 70 -9.434 -1.661 18.145 1.00 73.22 C ATOM 2879 CG LEU B 70 -8.496 -2.840 17.710 1.00 54.02 C ATOM 2880 CD1 LEU B 70 -9.297 -4.145 17.480 1.00 72.41 C ATOM 2881 CD2 LEU B 70 -7.654 -2.464 16.462 1.00 4.21 C ATOM 0 H LEU B 70 -7.829 -1.458 20.024 1.00 74.12 H new ATOM 0 HA LEU B 70 -8.191 0.030 17.608 1.00 63.22 H new ATOM 0 HB2 LEU B 70 -10.009 -1.981 19.014 1.00 73.22 H new ATOM 0 HB3 LEU B 70 -10.147 -1.474 17.342 1.00 73.22 H new ATOM 0 HG LEU B 70 -7.801 -3.024 18.529 1.00 54.02 H new ATOM 0 HD11 LEU B 70 -8.616 -4.942 17.180 1.00 72.41 H new ATOM 0 HD12 LEU B 70 -9.803 -4.429 18.403 1.00 72.41 H new ATOM 0 HD13 LEU B 70 -10.036 -3.985 16.695 1.00 72.41 H new ATOM 0 HD21 LEU B 70 -7.015 -3.304 16.188 1.00 4.21 H new ATOM 0 HD22 LEU B 70 -8.320 -2.228 15.632 1.00 4.21 H new ATOM 0 HD23 LEU B 70 -7.035 -1.596 16.689 1.00 4.21 H new ATOM 2893 N ASP B 71 -10.248 0.695 20.131 1.00 3.43 N ATOM 2894 CA ASP B 71 -11.149 1.722 20.714 1.00 71.21 C ATOM 2895 C ASP B 71 -10.332 2.788 21.458 1.00 3.12 C ATOM 2896 O ASP B 71 -10.654 3.981 21.423 1.00 0.42 O ATOM 2897 CB ASP B 71 -12.162 1.057 21.685 1.00 24.13 C ATOM 2898 CG ASP B 71 -13.101 2.064 22.385 1.00 3.31 C ATOM 2899 OD1 ASP B 71 -14.071 2.533 21.748 1.00 23.44 O ATOM 2900 OD2 ASP B 71 -12.879 2.388 23.576 1.00 64.15 O ATOM 0 H ASP B 71 -10.044 -0.077 20.766 1.00 3.43 H new ATOM 0 HA ASP B 71 -11.698 2.202 19.904 1.00 71.21 H new ATOM 0 HB2 ASP B 71 -12.764 0.336 21.131 1.00 24.13 H new ATOM 0 HB3 ASP B 71 -11.613 0.498 22.443 1.00 24.13 H new ATOM 2905 N ASP B 72 -9.268 2.323 22.126 1.00 23.11 N ATOM 2906 CA ASP B 72 -8.417 3.145 23.002 1.00 4.41 C ATOM 2907 C ASP B 72 -7.710 4.264 22.214 1.00 13.45 C ATOM 2908 O ASP B 72 -7.582 5.384 22.714 1.00 74.33 O ATOM 2909 CB ASP B 72 -7.358 2.251 23.704 1.00 1.45 C ATOM 2910 CG ASP B 72 -7.976 1.087 24.502 1.00 62.44 C ATOM 2911 OD1 ASP B 72 -7.965 1.120 25.750 1.00 63.31 O ATOM 2912 OD2 ASP B 72 -8.489 0.134 23.870 1.00 31.12 O ATOM 0 H ASP B 72 -8.968 1.350 22.073 1.00 23.11 H new ATOM 0 HA ASP B 72 -9.059 3.610 23.750 1.00 4.41 H new ATOM 0 HB2 ASP B 72 -6.678 1.847 22.954 1.00 1.45 H new ATOM 0 HB3 ASP B 72 -6.761 2.867 24.377 1.00 1.45 H new ATOM 2917 N ILE B 73 -7.293 3.924 20.973 1.00 54.44 N ATOM 2918 CA ILE B 73 -6.468 4.775 20.097 1.00 15.23 C ATOM 2919 C ILE B 73 -5.149 5.163 20.815 1.00 72.42 C ATOM 2920 O ILE B 73 -5.128 6.134 21.591 1.00 72.52 O ATOM 2921 CB ILE B 73 -7.229 6.056 19.564 1.00 20.23 C ATOM 2922 CG1 ILE B 73 -8.570 5.656 18.855 1.00 21.05 C ATOM 2923 CG2 ILE B 73 -6.322 6.886 18.615 1.00 52.43 C ATOM 2924 CD1 ILE B 73 -8.415 4.742 17.639 1.00 41.31 C ATOM 0 H ILE B 73 -7.529 3.028 20.546 1.00 54.44 H new ATOM 0 HA ILE B 73 -6.234 4.183 19.212 1.00 15.23 H new ATOM 0 HB ILE B 73 -7.477 6.682 20.421 1.00 20.23 H new ATOM 0 HG12 ILE B 73 -9.213 5.161 19.582 1.00 21.05 H new ATOM 0 HG13 ILE B 73 -9.083 6.566 18.543 1.00 21.05 H new ATOM 0 HG21 ILE B 73 -6.868 7.761 18.262 1.00 52.43 H new ATOM 0 HG22 ILE B 73 -5.430 7.208 19.153 1.00 52.43 H new ATOM 0 HG23 ILE B 73 -6.030 6.273 17.762 1.00 52.43 H new ATOM 0 HD11 ILE B 73 -9.397 4.524 17.220 1.00 41.31 H new ATOM 0 HD12 ILE B 73 -7.802 5.238 16.887 1.00 41.31 H new ATOM 0 HD13 ILE B 73 -7.935 3.812 17.942 1.00 41.31 H new ATOM 2936 N PRO B 74 -4.040 4.381 20.613 1.00 50.53 N ATOM 2937 CA PRO B 74 -2.764 4.633 21.306 1.00 54.11 C ATOM 2938 C PRO B 74 -2.159 5.992 20.883 1.00 34.45 C ATOM 2939 O PRO B 74 -2.042 6.258 19.680 1.00 72.13 O ATOM 2940 CB PRO B 74 -1.854 3.443 20.879 1.00 22.43 C ATOM 2941 CG PRO B 74 -2.799 2.416 20.317 1.00 60.23 C ATOM 2942 CD PRO B 74 -3.922 3.212 19.697 1.00 61.25 C ATOM 0 HA PRO B 74 -2.880 4.693 22.388 1.00 54.11 H new ATOM 0 HB2 PRO B 74 -1.120 3.754 20.135 1.00 22.43 H new ATOM 0 HB3 PRO B 74 -1.298 3.046 21.728 1.00 22.43 H new ATOM 0 HG2 PRO B 74 -2.304 1.789 19.575 1.00 60.23 H new ATOM 0 HG3 PRO B 74 -3.170 1.753 21.098 1.00 60.23 H new ATOM 0 HD2 PRO B 74 -3.686 3.518 18.678 1.00 61.25 H new ATOM 0 HD3 PRO B 74 -4.848 2.638 19.651 1.00 61.25 H new ATOM 2950 N PRO B 75 -1.794 6.879 21.868 1.00 34.00 N ATOM 2951 CA PRO B 75 -1.066 8.144 21.592 1.00 22.25 C ATOM 2952 C PRO B 75 0.207 7.943 20.736 1.00 44.21 C ATOM 2953 O PRO B 75 0.618 8.848 20.020 1.00 40.31 O ATOM 2954 CB PRO B 75 -0.724 8.660 23.013 1.00 72.11 C ATOM 2955 CG PRO B 75 -1.819 8.117 23.879 1.00 4.33 C ATOM 2956 CD PRO B 75 -2.120 6.744 23.322 1.00 3.12 C ATOM 0 HA PRO B 75 -1.661 8.841 21.002 1.00 22.25 H new ATOM 0 HB2 PRO B 75 0.254 8.306 23.340 1.00 72.11 H new ATOM 0 HB3 PRO B 75 -0.696 9.749 23.044 1.00 72.11 H new ATOM 0 HG2 PRO B 75 -1.505 8.059 24.921 1.00 4.33 H new ATOM 0 HG3 PRO B 75 -2.701 8.757 23.847 1.00 4.33 H new ATOM 0 HD2 PRO B 75 -1.513 5.975 23.800 1.00 3.12 H new ATOM 0 HD3 PRO B 75 -3.163 6.468 23.476 1.00 3.12 H new ATOM 2964 N TYR B 76 0.776 6.727 20.826 1.00 25.21 N ATOM 2965 CA TYR B 76 1.942 6.270 20.041 1.00 61.51 C ATOM 2966 C TYR B 76 1.716 6.444 18.521 1.00 13.53 C ATOM 2967 O TYR B 76 2.581 6.967 17.819 1.00 31.03 O ATOM 2968 CB TYR B 76 2.208 4.772 20.377 1.00 64.33 C ATOM 2969 CG TYR B 76 3.508 4.174 19.797 1.00 4.15 C ATOM 2970 CD1 TYR B 76 3.570 3.690 18.482 1.00 33.41 C ATOM 2971 CD2 TYR B 76 4.671 4.081 20.573 1.00 31.34 C ATOM 2972 CE1 TYR B 76 4.729 3.133 17.979 1.00 40.31 C ATOM 2973 CE2 TYR B 76 5.828 3.532 20.065 1.00 42.24 C ATOM 2974 CZ TYR B 76 5.856 3.063 18.774 1.00 21.10 C ATOM 2975 OH TYR B 76 7.006 2.485 18.296 1.00 31.10 O ATOM 0 H TYR B 76 0.428 6.012 21.465 1.00 25.21 H new ATOM 0 HA TYR B 76 2.805 6.880 20.308 1.00 61.51 H new ATOM 0 HB2 TYR B 76 2.231 4.661 21.461 1.00 64.33 H new ATOM 0 HB3 TYR B 76 1.366 4.183 20.014 1.00 64.33 H new ATOM 0 HD1 TYR B 76 2.695 3.754 17.852 1.00 33.41 H new ATOM 0 HD2 TYR B 76 4.660 4.447 21.589 1.00 31.34 H new ATOM 0 HE1 TYR B 76 4.754 2.754 16.968 1.00 40.31 H new ATOM 0 HE2 TYR B 76 6.713 3.470 20.681 1.00 42.24 H new ATOM 0 HH TYR B 76 7.570 3.172 17.882 1.00 31.10 H new ATOM 2985 N ASP B 77 0.547 5.976 18.050 1.00 65.52 N ATOM 2986 CA ASP B 77 0.144 6.024 16.625 1.00 51.33 C ATOM 2987 C ASP B 77 0.018 7.473 16.135 1.00 64.31 C ATOM 2988 O ASP B 77 0.404 7.800 15.008 1.00 14.14 O ATOM 2989 CB ASP B 77 -1.211 5.283 16.430 1.00 40.45 C ATOM 2990 CG ASP B 77 -1.133 3.765 16.688 1.00 72.34 C ATOM 2991 OD1 ASP B 77 -1.594 2.975 15.832 1.00 33.51 O ATOM 2992 OD2 ASP B 77 -0.594 3.350 17.744 1.00 70.00 O ATOM 0 H ASP B 77 -0.156 5.548 18.652 1.00 65.52 H new ATOM 0 HA ASP B 77 0.917 5.529 16.037 1.00 51.33 H new ATOM 0 HB2 ASP B 77 -1.952 5.718 17.100 1.00 40.45 H new ATOM 0 HB3 ASP B 77 -1.563 5.451 15.412 1.00 40.45 H new ATOM 2997 N ARG B 78 -0.516 8.326 17.018 1.00 42.01 N ATOM 2998 CA ARG B 78 -0.721 9.763 16.739 1.00 33.23 C ATOM 2999 C ARG B 78 0.618 10.504 16.726 1.00 72.53 C ATOM 3000 O ARG B 78 0.814 11.463 15.971 1.00 65.44 O ATOM 3001 CB ARG B 78 -1.662 10.372 17.806 1.00 24.33 C ATOM 3002 CG ARG B 78 -2.979 9.595 17.980 1.00 74.41 C ATOM 3003 CD ARG B 78 -3.964 10.284 18.943 1.00 62.23 C ATOM 3004 NE ARG B 78 -3.376 10.536 20.277 1.00 43.13 N ATOM 3005 CZ ARG B 78 -4.078 10.711 21.415 1.00 35.44 C ATOM 3006 NH1 ARG B 78 -5.408 10.657 21.417 1.00 22.34 N ATOM 3007 NH2 ARG B 78 -3.431 10.962 22.542 1.00 30.44 N ATOM 0 H ARG B 78 -0.821 8.044 17.950 1.00 42.01 H new ATOM 0 HA ARG B 78 -1.179 9.870 15.756 1.00 33.23 H new ATOM 0 HB2 ARG B 78 -1.140 10.405 18.762 1.00 24.33 H new ATOM 0 HB3 ARG B 78 -1.891 11.402 17.532 1.00 24.33 H new ATOM 0 HG2 ARG B 78 -3.455 9.476 17.007 1.00 74.41 H new ATOM 0 HG3 ARG B 78 -2.757 8.594 18.351 1.00 74.41 H new ATOM 0 HD2 ARG B 78 -4.289 11.230 18.509 1.00 62.23 H new ATOM 0 HD3 ARG B 78 -4.853 9.662 19.054 1.00 62.23 H new ATOM 0 HE ARG B 78 -2.359 10.581 20.341 1.00 43.13 H new ATOM 0 HH11 ARG B 78 -5.913 10.481 20.548 1.00 22.34 H new ATOM 0 HH12 ARG B 78 -5.923 10.792 22.287 1.00 22.34 H new ATOM 0 HH21 ARG B 78 -2.413 11.021 22.543 1.00 30.44 H new ATOM 0 HH22 ARG B 78 -3.951 11.096 23.409 1.00 30.44 H new ATOM 3021 N ASP B 79 1.533 10.047 17.585 1.00 22.44 N ATOM 3022 CA ASP B 79 2.881 10.608 17.697 1.00 20.41 C ATOM 3023 C ASP B 79 3.809 10.091 16.584 1.00 43.33 C ATOM 3024 O ASP B 79 4.832 10.719 16.284 1.00 11.21 O ATOM 3025 CB ASP B 79 3.475 10.400 19.112 1.00 23.02 C ATOM 3026 CG ASP B 79 2.806 11.314 20.164 1.00 13.11 C ATOM 3027 OD1 ASP B 79 2.373 10.818 21.226 1.00 4.35 O ATOM 3028 OD2 ASP B 79 2.703 12.541 19.920 1.00 11.02 O ATOM 0 H ASP B 79 1.358 9.273 18.226 1.00 22.44 H new ATOM 0 HA ASP B 79 2.797 11.685 17.553 1.00 20.41 H new ATOM 0 HB2 ASP B 79 3.351 9.358 19.407 1.00 23.02 H new ATOM 0 HB3 ASP B 79 4.546 10.600 19.088 1.00 23.02 H new ATOM 3033 N PHE B 80 3.453 8.934 15.997 1.00 34.11 N ATOM 3034 CA PHE B 80 4.113 8.406 14.781 1.00 4.33 C ATOM 3035 C PHE B 80 3.843 9.349 13.585 1.00 65.51 C ATOM 3036 O PHE B 80 4.701 9.535 12.711 1.00 64.10 O ATOM 3037 CB PHE B 80 3.622 6.952 14.478 1.00 64.50 C ATOM 3038 CG PHE B 80 4.128 6.381 13.147 1.00 73.54 C ATOM 3039 CD1 PHE B 80 3.278 6.267 12.042 1.00 22.41 C ATOM 3040 CD2 PHE B 80 5.459 5.991 12.995 1.00 31.25 C ATOM 3041 CE1 PHE B 80 3.743 5.791 10.832 1.00 10.23 C ATOM 3042 CE2 PHE B 80 5.918 5.508 11.783 1.00 42.23 C ATOM 3043 CZ PHE B 80 5.063 5.410 10.703 1.00 60.14 C ATOM 0 H PHE B 80 2.703 8.338 16.348 1.00 34.11 H new ATOM 0 HA PHE B 80 5.189 8.364 14.949 1.00 4.33 H new ATOM 0 HB2 PHE B 80 3.943 6.296 15.287 1.00 64.50 H new ATOM 0 HB3 PHE B 80 2.532 6.942 14.474 1.00 64.50 H new ATOM 0 HD1 PHE B 80 2.242 6.556 12.137 1.00 22.41 H new ATOM 0 HD2 PHE B 80 6.137 6.067 13.832 1.00 31.25 H new ATOM 0 HE1 PHE B 80 3.074 5.717 9.987 1.00 10.23 H new ATOM 0 HE2 PHE B 80 6.950 5.206 11.681 1.00 42.23 H new ATOM 0 HZ PHE B 80 5.427 5.035 9.758 1.00 60.14 H new ATOM 3053 N CYS B 81 2.643 9.957 13.596 1.00 34.33 N ATOM 3054 CA CYS B 81 2.195 10.915 12.571 1.00 15.23 C ATOM 3055 C CYS B 81 2.940 12.271 12.656 1.00 53.11 C ATOM 3056 O CYS B 81 2.806 13.099 11.745 1.00 24.35 O ATOM 3057 CB CYS B 81 0.675 11.136 12.724 1.00 61.23 C ATOM 3058 SG CYS B 81 -0.306 9.623 12.626 1.00 13.31 S ATOM 0 H CYS B 81 1.949 9.794 14.326 1.00 34.33 H new ATOM 0 HA CYS B 81 2.425 10.492 11.593 1.00 15.23 H new ATOM 0 HB2 CYS B 81 0.484 11.618 13.683 1.00 61.23 H new ATOM 0 HB3 CYS B 81 0.339 11.824 11.948 1.00 61.23 H new ATOM 0 HG CYS B 81 0.005 8.839 13.615 1.00 13.31 H new ATOM 3064 N LYS B 82 3.713 12.495 13.749 1.00 55.24 N ATOM 3065 CA LYS B 82 4.475 13.746 13.960 1.00 22.52 C ATOM 3066 C LYS B 82 5.801 13.683 13.183 1.00 55.52 C ATOM 3067 O LYS B 82 6.876 13.449 13.758 1.00 1.05 O ATOM 3068 CB LYS B 82 4.738 13.987 15.470 1.00 53.40 C ATOM 3069 CG LYS B 82 3.488 13.911 16.357 1.00 21.01 C ATOM 3070 CD LYS B 82 2.391 14.930 15.986 1.00 3.33 C ATOM 3071 CE LYS B 82 1.154 14.779 16.886 1.00 10.40 C ATOM 3072 NZ LYS B 82 1.508 14.878 18.328 1.00 43.33 N ATOM 0 H LYS B 82 3.823 11.816 14.503 1.00 55.24 H new ATOM 0 HA LYS B 82 3.884 14.582 13.588 1.00 22.52 H new ATOM 0 HB2 LYS B 82 5.462 13.251 15.821 1.00 53.40 H new ATOM 0 HB3 LYS B 82 5.196 14.969 15.593 1.00 53.40 H new ATOM 0 HG2 LYS B 82 3.071 12.906 16.294 1.00 21.01 H new ATOM 0 HG3 LYS B 82 3.781 14.070 17.395 1.00 21.01 H new ATOM 0 HD2 LYS B 82 2.787 15.942 16.077 1.00 3.33 H new ATOM 0 HD3 LYS B 82 2.103 14.793 14.944 1.00 3.33 H new ATOM 0 HE2 LYS B 82 0.426 15.550 16.636 1.00 10.40 H new ATOM 0 HE3 LYS B 82 0.679 13.817 16.693 1.00 10.40 H new ATOM 0 HZ1 LYS B 82 0.651 15.077 18.883 1.00 43.33 H new ATOM 0 HZ2 LYS B 82 1.925 13.980 18.646 1.00 43.33 H new ATOM 0 HZ3 LYS B 82 2.196 15.646 18.465 1.00 43.33 H new ATOM 3086 N VAL B 83 5.688 13.826 11.865 1.00 42.25 N ATOM 3087 CA VAL B 83 6.812 13.820 10.917 1.00 15.51 C ATOM 3088 C VAL B 83 6.645 15.010 9.964 1.00 5.23 C ATOM 3089 O VAL B 83 5.590 15.667 9.972 1.00 31.04 O ATOM 3090 CB VAL B 83 6.878 12.464 10.106 1.00 34.25 C ATOM 3091 CG1 VAL B 83 7.204 11.270 11.033 1.00 35.22 C ATOM 3092 CG2 VAL B 83 5.564 12.211 9.323 1.00 12.43 C ATOM 0 H VAL B 83 4.785 13.954 11.407 1.00 42.25 H new ATOM 0 HA VAL B 83 7.748 13.907 11.468 1.00 15.51 H new ATOM 0 HB VAL B 83 7.687 12.557 9.382 1.00 34.25 H new ATOM 0 HG11 VAL B 83 7.242 10.353 10.445 1.00 35.22 H new ATOM 0 HG12 VAL B 83 8.169 11.434 11.512 1.00 35.22 H new ATOM 0 HG13 VAL B 83 6.431 11.180 11.796 1.00 35.22 H new ATOM 0 HG21 VAL B 83 5.642 11.271 8.776 1.00 12.43 H new ATOM 0 HG22 VAL B 83 4.729 12.157 10.021 1.00 12.43 H new ATOM 0 HG23 VAL B 83 5.396 13.027 8.620 1.00 12.43 H new ATOM 3102 N ASP B 84 7.675 15.297 9.149 1.00 13.41 N ATOM 3103 CA ASP B 84 7.612 16.389 8.156 1.00 64.41 C ATOM 3104 C ASP B 84 6.637 16.018 7.027 1.00 51.43 C ATOM 3105 O ASP B 84 6.379 14.837 6.797 1.00 71.55 O ATOM 3106 CB ASP B 84 9.010 16.700 7.566 1.00 23.35 C ATOM 3107 CG ASP B 84 10.053 17.017 8.644 1.00 2.54 C ATOM 3108 OD1 ASP B 84 9.945 18.075 9.297 1.00 3.23 O ATOM 3109 OD2 ASP B 84 10.982 16.205 8.852 1.00 41.44 O ATOM 0 H ASP B 84 8.560 14.790 9.157 1.00 13.41 H new ATOM 0 HA ASP B 84 7.255 17.284 8.665 1.00 64.41 H new ATOM 0 HB2 ASP B 84 9.349 15.847 6.978 1.00 23.35 H new ATOM 0 HB3 ASP B 84 8.931 17.546 6.883 1.00 23.35 H new ATOM 3114 N GLN B 85 6.128 17.044 6.323 1.00 33.41 N ATOM 3115 CA GLN B 85 5.167 16.881 5.213 1.00 14.45 C ATOM 3116 C GLN B 85 5.745 15.936 4.099 1.00 73.45 C ATOM 3117 O GLN B 85 5.062 14.973 3.726 1.00 32.11 O ATOM 3118 CB GLN B 85 4.722 18.302 4.691 1.00 34.11 C ATOM 3119 CG GLN B 85 3.594 18.352 3.617 1.00 2.35 C ATOM 3120 CD GLN B 85 4.074 18.080 2.184 1.00 32.33 C ATOM 3121 OE1 GLN B 85 4.474 18.992 1.466 1.00 10.14 O ATOM 3122 NE2 GLN B 85 4.043 16.835 1.769 1.00 1.01 N ATOM 0 H GLN B 85 6.372 18.017 6.508 1.00 33.41 H new ATOM 0 HA GLN B 85 4.266 16.380 5.566 1.00 14.45 H new ATOM 0 HB2 GLN B 85 4.395 18.889 5.550 1.00 34.11 H new ATOM 0 HB3 GLN B 85 5.600 18.800 4.280 1.00 34.11 H new ATOM 0 HG2 GLN B 85 2.829 17.621 3.876 1.00 2.35 H new ATOM 0 HG3 GLN B 85 3.121 19.333 3.649 1.00 2.35 H new ATOM 0 HE21 GLN B 85 3.705 16.099 2.389 1.00 1.01 H new ATOM 0 HE22 GLN B 85 4.357 16.604 0.826 1.00 1.01 H new ATOM 3131 N PRO B 86 6.999 16.156 3.545 1.00 72.04 N ATOM 3132 CA PRO B 86 7.596 15.216 2.550 1.00 35.21 C ATOM 3133 C PRO B 86 7.967 13.850 3.175 1.00 43.33 C ATOM 3134 O PRO B 86 7.756 12.804 2.553 1.00 34.10 O ATOM 3135 CB PRO B 86 8.863 15.962 2.040 1.00 60.21 C ATOM 3136 CG PRO B 86 8.670 17.387 2.473 1.00 41.24 C ATOM 3137 CD PRO B 86 7.912 17.311 3.772 1.00 42.42 C ATOM 0 HA PRO B 86 6.894 14.973 1.753 1.00 35.21 H new ATOM 0 HB2 PRO B 86 9.771 15.538 2.469 1.00 60.21 H new ATOM 0 HB3 PRO B 86 8.957 15.887 0.957 1.00 60.21 H new ATOM 0 HG2 PRO B 86 9.628 17.890 2.606 1.00 41.24 H new ATOM 0 HG3 PRO B 86 8.113 17.953 1.726 1.00 41.24 H new ATOM 0 HD2 PRO B 86 8.576 17.143 4.620 1.00 42.42 H new ATOM 0 HD3 PRO B 86 7.362 18.230 3.975 1.00 42.42 H new ATOM 3145 N THR B 87 8.512 13.892 4.424 1.00 13.44 N ATOM 3146 CA THR B 87 8.910 12.687 5.205 1.00 60.32 C ATOM 3147 C THR B 87 7.723 11.713 5.403 1.00 55.31 C ATOM 3148 O THR B 87 7.904 10.491 5.452 1.00 21.53 O ATOM 3149 CB THR B 87 9.482 13.110 6.598 1.00 44.34 C ATOM 3150 OG1 THR B 87 10.608 13.972 6.402 1.00 53.15 O ATOM 3151 CG2 THR B 87 9.902 11.924 7.487 1.00 44.42 C ATOM 0 H THR B 87 8.688 14.767 4.918 1.00 13.44 H new ATOM 0 HA THR B 87 9.681 12.168 4.635 1.00 60.32 H new ATOM 0 HB THR B 87 8.674 13.620 7.123 1.00 44.34 H new ATOM 0 HG1 THR B 87 10.870 14.368 7.259 1.00 53.15 H new ATOM 0 HG21 THR B 87 10.288 12.299 8.435 1.00 44.42 H new ATOM 0 HG22 THR B 87 9.039 11.286 7.674 1.00 44.42 H new ATOM 0 HG23 THR B 87 10.677 11.347 6.982 1.00 44.42 H new ATOM 3159 N LEU B 88 6.522 12.299 5.496 1.00 65.12 N ATOM 3160 CA LEU B 88 5.246 11.580 5.642 1.00 33.32 C ATOM 3161 C LEU B 88 5.035 10.644 4.424 1.00 1.55 C ATOM 3162 O LEU B 88 4.698 9.466 4.579 1.00 13.54 O ATOM 3163 CB LEU B 88 4.098 12.641 5.783 1.00 52.30 C ATOM 3164 CG LEU B 88 2.803 12.221 6.556 1.00 42.21 C ATOM 3165 CD1 LEU B 88 1.861 13.435 6.750 1.00 75.03 C ATOM 3166 CD2 LEU B 88 2.075 11.061 5.863 1.00 41.04 C ATOM 0 H LEU B 88 6.406 13.312 5.471 1.00 65.12 H new ATOM 0 HA LEU B 88 5.247 10.952 6.533 1.00 33.32 H new ATOM 0 HB2 LEU B 88 4.513 13.519 6.278 1.00 52.30 H new ATOM 0 HB3 LEU B 88 3.803 12.950 4.780 1.00 52.30 H new ATOM 0 HG LEU B 88 3.109 11.865 7.540 1.00 42.21 H new ATOM 0 HD11 LEU B 88 0.968 13.120 7.289 1.00 75.03 H new ATOM 0 HD12 LEU B 88 2.376 14.208 7.321 1.00 75.03 H new ATOM 0 HD13 LEU B 88 1.575 13.833 5.776 1.00 75.03 H new ATOM 0 HD21 LEU B 88 1.182 10.800 6.431 1.00 41.04 H new ATOM 0 HD22 LEU B 88 1.789 11.361 4.855 1.00 41.04 H new ATOM 0 HD23 LEU B 88 2.736 10.196 5.810 1.00 41.04 H new ATOM 3178 N PHE B 89 5.270 11.192 3.222 1.00 61.22 N ATOM 3179 CA PHE B 89 5.123 10.452 1.957 1.00 14.25 C ATOM 3180 C PHE B 89 6.256 9.446 1.756 1.00 3.25 C ATOM 3181 O PHE B 89 6.043 8.408 1.136 1.00 41.52 O ATOM 3182 CB PHE B 89 5.028 11.424 0.766 1.00 24.13 C ATOM 3183 CG PHE B 89 3.766 12.277 0.800 1.00 5.30 C ATOM 3184 CD1 PHE B 89 2.520 11.678 0.977 1.00 34.01 C ATOM 3185 CD2 PHE B 89 3.814 13.659 0.655 1.00 64.15 C ATOM 3186 CE1 PHE B 89 1.371 12.433 1.013 1.00 0.14 C ATOM 3187 CE2 PHE B 89 2.658 14.411 0.687 1.00 45.15 C ATOM 3188 CZ PHE B 89 1.438 13.801 0.869 1.00 13.21 C ATOM 0 H PHE B 89 5.567 12.160 3.098 1.00 61.22 H new ATOM 0 HA PHE B 89 4.194 9.885 2.012 1.00 14.25 H new ATOM 0 HB2 PHE B 89 5.902 12.076 0.764 1.00 24.13 H new ATOM 0 HB3 PHE B 89 5.052 10.856 -0.164 1.00 24.13 H new ATOM 0 HD1 PHE B 89 2.456 10.606 1.087 1.00 34.01 H new ATOM 0 HD2 PHE B 89 4.766 14.149 0.516 1.00 64.15 H new ATOM 0 HE1 PHE B 89 0.414 11.952 1.154 1.00 0.14 H new ATOM 0 HE2 PHE B 89 2.711 15.483 0.569 1.00 45.15 H new ATOM 0 HZ PHE B 89 0.535 14.393 0.899 1.00 13.21 H new ATOM 3198 N GLU B 90 7.450 9.758 2.289 1.00 63.50 N ATOM 3199 CA GLU B 90 8.596 8.822 2.299 1.00 61.10 C ATOM 3200 C GLU B 90 8.246 7.543 3.084 1.00 1.11 C ATOM 3201 O GLU B 90 8.674 6.445 2.720 1.00 52.22 O ATOM 3202 CB GLU B 90 9.843 9.499 2.914 1.00 73.42 C ATOM 3203 CG GLU B 90 10.325 10.770 2.192 1.00 34.03 C ATOM 3204 CD GLU B 90 10.809 10.521 0.752 1.00 15.12 C ATOM 3205 OE1 GLU B 90 12.001 10.173 0.566 1.00 74.23 O ATOM 3206 OE2 GLU B 90 10.010 10.675 -0.201 1.00 32.13 O ATOM 0 H GLU B 90 7.651 10.659 2.723 1.00 63.50 H new ATOM 0 HA GLU B 90 8.820 8.547 1.268 1.00 61.10 H new ATOM 0 HB2 GLU B 90 9.624 9.751 3.952 1.00 73.42 H new ATOM 0 HB3 GLU B 90 10.659 8.777 2.927 1.00 73.42 H new ATOM 0 HG2 GLU B 90 9.512 11.496 2.172 1.00 34.03 H new ATOM 0 HG3 GLU B 90 11.137 11.217 2.766 1.00 34.03 H new ATOM 3213 N LEU B 91 7.448 7.716 4.161 1.00 74.41 N ATOM 3214 CA LEU B 91 6.938 6.606 4.986 1.00 71.24 C ATOM 3215 C LEU B 91 5.906 5.759 4.210 1.00 33.52 C ATOM 3216 O LEU B 91 5.843 4.552 4.416 1.00 21.14 O ATOM 3217 CB LEU B 91 6.306 7.141 6.304 1.00 42.33 C ATOM 3218 CG LEU B 91 7.268 7.850 7.309 1.00 30.51 C ATOM 3219 CD1 LEU B 91 6.486 8.410 8.524 1.00 14.24 C ATOM 3220 CD2 LEU B 91 8.399 6.900 7.753 1.00 32.13 C ATOM 0 H LEU B 91 7.140 8.634 4.481 1.00 74.41 H new ATOM 0 HA LEU B 91 7.786 5.968 5.237 1.00 71.24 H new ATOM 0 HB2 LEU B 91 5.513 7.841 6.041 1.00 42.33 H new ATOM 0 HB3 LEU B 91 5.834 6.304 6.819 1.00 42.33 H new ATOM 0 HG LEU B 91 7.730 8.695 6.798 1.00 30.51 H new ATOM 0 HD11 LEU B 91 7.179 8.899 9.209 1.00 14.24 H new ATOM 0 HD12 LEU B 91 5.746 9.133 8.179 1.00 14.24 H new ATOM 0 HD13 LEU B 91 5.982 7.593 9.040 1.00 14.24 H new ATOM 0 HD21 LEU B 91 9.055 7.418 8.453 1.00 32.13 H new ATOM 0 HD22 LEU B 91 7.969 6.024 8.239 1.00 32.13 H new ATOM 0 HD23 LEU B 91 8.973 6.586 6.882 1.00 32.13 H new ATOM 3232 N ILE B 92 5.101 6.408 3.337 1.00 41.34 N ATOM 3233 CA ILE B 92 4.122 5.710 2.460 1.00 32.35 C ATOM 3234 C ILE B 92 4.867 4.902 1.371 1.00 55.14 C ATOM 3235 O ILE B 92 4.501 3.758 1.072 1.00 75.24 O ATOM 3236 CB ILE B 92 3.101 6.717 1.785 1.00 10.20 C ATOM 3237 CG1 ILE B 92 2.302 7.497 2.879 1.00 65.34 C ATOM 3238 CG2 ILE B 92 2.138 5.995 0.800 1.00 71.11 C ATOM 3239 CD1 ILE B 92 1.224 8.429 2.354 1.00 72.34 C ATOM 0 H ILE B 92 5.108 7.421 3.218 1.00 41.34 H new ATOM 0 HA ILE B 92 3.545 5.032 3.089 1.00 32.35 H new ATOM 0 HB ILE B 92 3.679 7.432 1.199 1.00 10.20 H new ATOM 0 HG12 ILE B 92 1.839 6.775 3.551 1.00 65.34 H new ATOM 0 HG13 ILE B 92 3.006 8.080 3.473 1.00 65.34 H new ATOM 0 HG21 ILE B 92 1.455 6.722 0.360 1.00 71.11 H new ATOM 0 HG22 ILE B 92 2.717 5.517 0.010 1.00 71.11 H new ATOM 0 HG23 ILE B 92 1.566 5.240 1.339 1.00 71.11 H new ATOM 0 HD11 ILE B 92 0.729 8.921 3.191 1.00 72.34 H new ATOM 0 HD12 ILE B 92 1.676 9.180 1.707 1.00 72.34 H new ATOM 0 HD13 ILE B 92 0.491 7.855 1.787 1.00 72.34 H new ATOM 3251 N LEU B 93 5.923 5.515 0.809 1.00 42.35 N ATOM 3252 CA LEU B 93 6.780 4.895 -0.222 1.00 51.10 C ATOM 3253 C LEU B 93 7.516 3.667 0.353 1.00 5.33 C ATOM 3254 O LEU B 93 7.649 2.646 -0.321 1.00 64.03 O ATOM 3255 CB LEU B 93 7.792 5.942 -0.771 1.00 64.23 C ATOM 3256 CG LEU B 93 7.172 7.153 -1.550 1.00 52.11 C ATOM 3257 CD1 LEU B 93 8.242 8.225 -1.867 1.00 40.45 C ATOM 3258 CD2 LEU B 93 6.444 6.685 -2.833 1.00 25.44 C ATOM 0 H LEU B 93 6.210 6.462 1.058 1.00 42.35 H new ATOM 0 HA LEU B 93 6.152 4.555 -1.046 1.00 51.10 H new ATOM 0 HB2 LEU B 93 8.371 6.332 0.066 1.00 64.23 H new ATOM 0 HB3 LEU B 93 8.492 5.430 -1.432 1.00 64.23 H new ATOM 0 HG LEU B 93 6.427 7.614 -0.901 1.00 52.11 H new ATOM 0 HD11 LEU B 93 7.780 9.051 -2.407 1.00 40.45 H new ATOM 0 HD12 LEU B 93 8.673 8.595 -0.937 1.00 40.45 H new ATOM 0 HD13 LEU B 93 9.028 7.784 -2.480 1.00 40.45 H new ATOM 0 HD21 LEU B 93 6.026 7.549 -3.350 1.00 25.44 H new ATOM 0 HD22 LEU B 93 7.152 6.178 -3.489 1.00 25.44 H new ATOM 0 HD23 LEU B 93 5.641 5.998 -2.566 1.00 25.44 H new ATOM 3270 N ALA B 94 7.958 3.789 1.620 1.00 61.41 N ATOM 3271 CA ALA B 94 8.626 2.700 2.364 1.00 13.44 C ATOM 3272 C ALA B 94 7.611 1.628 2.796 1.00 25.12 C ATOM 3273 O ALA B 94 7.931 0.446 2.827 1.00 64.02 O ATOM 3274 CB ALA B 94 9.356 3.267 3.590 1.00 74.11 C ATOM 0 H ALA B 94 7.862 4.649 2.160 1.00 61.41 H new ATOM 0 HA ALA B 94 9.355 2.231 1.704 1.00 13.44 H new ATOM 0 HB1 ALA B 94 9.844 2.456 4.130 1.00 74.11 H new ATOM 0 HB2 ALA B 94 10.105 3.989 3.266 1.00 74.11 H new ATOM 0 HB3 ALA B 94 8.638 3.759 4.246 1.00 74.11 H new ATOM 3280 N ALA B 95 6.386 2.067 3.118 1.00 51.01 N ATOM 3281 CA ALA B 95 5.288 1.173 3.539 1.00 22.43 C ATOM 3282 C ALA B 95 4.779 0.320 2.371 1.00 32.53 C ATOM 3283 O ALA B 95 4.255 -0.765 2.590 1.00 71.11 O ATOM 3284 CB ALA B 95 4.136 1.986 4.126 1.00 22.55 C ATOM 0 H ALA B 95 6.124 3.053 3.095 1.00 51.01 H new ATOM 0 HA ALA B 95 5.683 0.503 4.303 1.00 22.43 H new ATOM 0 HB1 ALA B 95 3.335 1.313 4.432 1.00 22.55 H new ATOM 0 HB2 ALA B 95 4.490 2.546 4.992 1.00 22.55 H new ATOM 0 HB3 ALA B 95 3.760 2.680 3.374 1.00 22.55 H new ATOM 3290 N ASN B 96 4.885 0.867 1.148 1.00 60.40 N ATOM 3291 CA ASN B 96 4.569 0.149 -0.105 1.00 14.52 C ATOM 3292 C ASN B 96 5.751 -0.763 -0.506 1.00 22.43 C ATOM 3293 O ASN B 96 5.552 -1.912 -0.923 1.00 74.44 O ATOM 3294 CB ASN B 96 4.244 1.179 -1.229 1.00 2.53 C ATOM 3295 CG ASN B 96 3.911 0.551 -2.595 1.00 42.22 C ATOM 3296 OD1 ASN B 96 3.397 -0.566 -2.685 1.00 43.15 O ATOM 3297 ND2 ASN B 96 4.174 1.280 -3.666 1.00 15.04 N ATOM 0 H ASN B 96 5.195 1.827 0.997 1.00 60.40 H new ATOM 0 HA ASN B 96 3.694 -0.483 0.046 1.00 14.52 H new ATOM 0 HB2 ASN B 96 3.401 1.792 -0.910 1.00 2.53 H new ATOM 0 HB3 ASN B 96 5.096 1.848 -1.349 1.00 2.53 H new ATOM 0 HD21 ASN B 96 3.951 0.921 -4.594 1.00 15.04 H new ATOM 0 HD22 ASN B 96 4.600 2.201 -3.564 1.00 15.04 H new ATOM 3304 N TYR B 97 6.981 -0.231 -0.349 1.00 51.15 N ATOM 3305 CA TYR B 97 8.239 -0.940 -0.690 1.00 41.24 C ATOM 3306 C TYR B 97 8.441 -2.196 0.185 1.00 22.24 C ATOM 3307 O TYR B 97 8.990 -3.197 -0.280 1.00 72.24 O ATOM 3308 CB TYR B 97 9.459 0.030 -0.564 1.00 24.31 C ATOM 3309 CG TYR B 97 10.848 -0.630 -0.704 1.00 11.23 C ATOM 3310 CD1 TYR B 97 11.734 -0.700 0.380 1.00 73.31 C ATOM 3311 CD2 TYR B 97 11.261 -1.212 -1.908 1.00 14.32 C ATOM 3312 CE1 TYR B 97 12.967 -1.313 0.268 1.00 32.33 C ATOM 3313 CE2 TYR B 97 12.498 -1.822 -2.023 1.00 64.51 C ATOM 3314 CZ TYR B 97 13.344 -1.877 -0.931 1.00 65.22 C ATOM 3315 OH TYR B 97 14.574 -2.495 -1.039 1.00 43.54 O ATOM 0 H TYR B 97 7.134 0.708 0.020 1.00 51.15 H new ATOM 0 HA TYR B 97 8.164 -1.276 -1.724 1.00 41.24 H new ATOM 0 HB2 TYR B 97 9.365 0.805 -1.325 1.00 24.31 H new ATOM 0 HB3 TYR B 97 9.408 0.527 0.405 1.00 24.31 H new ATOM 0 HD1 TYR B 97 11.446 -0.264 1.325 1.00 73.31 H new ATOM 0 HD2 TYR B 97 10.602 -1.185 -2.763 1.00 14.32 H new ATOM 0 HE1 TYR B 97 13.633 -1.350 1.117 1.00 32.33 H new ATOM 0 HE2 TYR B 97 12.802 -2.255 -2.965 1.00 64.51 H new ATOM 0 HH TYR B 97 14.687 -2.842 -1.949 1.00 43.54 H new ATOM 3325 N LEU B 98 8.025 -2.122 1.459 1.00 63.11 N ATOM 3326 CA LEU B 98 8.105 -3.260 2.401 1.00 20.31 C ATOM 3327 C LEU B 98 6.761 -4.011 2.459 1.00 11.34 C ATOM 3328 O LEU B 98 6.713 -5.169 2.872 1.00 52.32 O ATOM 3329 CB LEU B 98 8.483 -2.760 3.821 1.00 1.35 C ATOM 3330 CG LEU B 98 9.778 -1.902 3.939 1.00 44.22 C ATOM 3331 CD1 LEU B 98 10.065 -1.534 5.406 1.00 44.24 C ATOM 3332 CD2 LEU B 98 10.986 -2.599 3.294 1.00 21.02 C ATOM 0 H LEU B 98 7.625 -1.278 1.868 1.00 63.11 H new ATOM 0 HA LEU B 98 8.877 -3.942 2.044 1.00 20.31 H new ATOM 0 HB2 LEU B 98 7.650 -2.173 4.208 1.00 1.35 H new ATOM 0 HB3 LEU B 98 8.590 -3.629 4.470 1.00 1.35 H new ATOM 0 HG LEU B 98 9.607 -0.978 3.387 1.00 44.22 H new ATOM 0 HD11 LEU B 98 10.974 -0.935 5.460 1.00 44.24 H new ATOM 0 HD12 LEU B 98 9.229 -0.961 5.808 1.00 44.24 H new ATOM 0 HD13 LEU B 98 10.195 -2.445 5.991 1.00 44.24 H new ATOM 0 HD21 LEU B 98 11.869 -1.968 3.398 1.00 21.02 H new ATOM 0 HD22 LEU B 98 11.162 -3.554 3.789 1.00 21.02 H new ATOM 0 HD23 LEU B 98 10.785 -2.771 2.237 1.00 21.02 H new ATOM 3344 N ASP B 99 5.704 -3.318 2.014 1.00 53.33 N ATOM 3345 CA ASP B 99 4.304 -3.770 2.065 1.00 11.44 C ATOM 3346 C ASP B 99 3.907 -4.261 3.473 1.00 73.11 C ATOM 3347 O ASP B 99 3.697 -5.451 3.708 1.00 2.12 O ATOM 3348 CB ASP B 99 3.969 -4.813 0.960 1.00 14.32 C ATOM 3349 CG ASP B 99 2.455 -5.082 0.816 1.00 54.44 C ATOM 3350 OD1 ASP B 99 1.645 -4.138 0.998 1.00 13.13 O ATOM 3351 OD2 ASP B 99 2.061 -6.207 0.446 1.00 62.31 O ATOM 0 H ASP B 99 5.802 -2.394 1.593 1.00 53.33 H new ATOM 0 HA ASP B 99 3.690 -2.895 1.850 1.00 11.44 H new ATOM 0 HB2 ASP B 99 4.361 -4.461 0.006 1.00 14.32 H new ATOM 0 HB3 ASP B 99 4.478 -5.750 1.187 1.00 14.32 H new ATOM 3356 N ILE B 100 3.866 -3.317 4.420 1.00 64.31 N ATOM 3357 CA ILE B 100 3.404 -3.583 5.791 1.00 63.41 C ATOM 3358 C ILE B 100 1.991 -3.012 5.921 1.00 21.51 C ATOM 3359 O ILE B 100 1.814 -1.796 5.835 1.00 23.14 O ATOM 3360 CB ILE B 100 4.338 -2.947 6.877 1.00 32.21 C ATOM 3361 CG1 ILE B 100 5.824 -3.311 6.601 1.00 54.12 C ATOM 3362 CG2 ILE B 100 3.903 -3.401 8.291 1.00 34.14 C ATOM 3363 CD1 ILE B 100 6.819 -2.773 7.613 1.00 31.11 C ATOM 0 H ILE B 100 4.150 -2.350 4.261 1.00 64.31 H new ATOM 0 HA ILE B 100 3.419 -4.659 5.964 1.00 63.41 H new ATOM 0 HB ILE B 100 4.246 -1.862 6.827 1.00 32.21 H new ATOM 0 HG12 ILE B 100 5.915 -4.397 6.567 1.00 54.12 H new ATOM 0 HG13 ILE B 100 6.096 -2.937 5.614 1.00 54.12 H new ATOM 0 HG21 ILE B 100 4.560 -2.952 9.036 1.00 34.14 H new ATOM 0 HG22 ILE B 100 2.876 -3.084 8.475 1.00 34.14 H new ATOM 0 HG23 ILE B 100 3.966 -4.487 8.360 1.00 34.14 H new ATOM 0 HD11 ILE B 100 7.826 -3.081 7.332 1.00 31.11 H new ATOM 0 HD12 ILE B 100 6.765 -1.685 7.633 1.00 31.11 H new ATOM 0 HD13 ILE B 100 6.582 -3.167 8.601 1.00 31.11 H new ATOM 3375 N LYS B 101 1.004 -3.894 6.131 1.00 61.50 N ATOM 3376 CA LYS B 101 -0.426 -3.532 6.089 1.00 41.30 C ATOM 3377 C LYS B 101 -0.823 -2.507 7.199 1.00 61.41 C ATOM 3378 O LYS B 101 -1.442 -1.488 6.869 1.00 71.54 O ATOM 3379 CB LYS B 101 -1.328 -4.814 6.119 1.00 72.44 C ATOM 3380 CG LYS B 101 -0.865 -5.985 5.196 1.00 11.13 C ATOM 3381 CD LYS B 101 -0.435 -5.552 3.774 1.00 10.44 C ATOM 3382 CE LYS B 101 -1.556 -4.889 2.967 1.00 52.54 C ATOM 3383 NZ LYS B 101 -1.031 -4.314 1.709 1.00 53.34 N ATOM 0 H LYS B 101 1.171 -4.879 6.335 1.00 61.50 H new ATOM 0 HA LYS B 101 -0.601 -3.023 5.141 1.00 41.30 H new ATOM 0 HB2 LYS B 101 -1.375 -5.180 7.145 1.00 72.44 H new ATOM 0 HB3 LYS B 101 -2.342 -4.530 5.835 1.00 72.44 H new ATOM 0 HG2 LYS B 101 -0.030 -6.498 5.673 1.00 11.13 H new ATOM 0 HG3 LYS B 101 -1.677 -6.707 5.112 1.00 11.13 H new ATOM 0 HD2 LYS B 101 0.403 -4.859 3.852 1.00 10.44 H new ATOM 0 HD3 LYS B 101 -0.076 -6.426 3.231 1.00 10.44 H new ATOM 0 HE2 LYS B 101 -2.330 -5.623 2.741 1.00 52.54 H new ATOM 0 HE3 LYS B 101 -2.024 -4.105 3.563 1.00 52.54 H new ATOM 0 HZ1 LYS B 101 -1.733 -3.661 1.306 1.00 53.34 H new ATOM 0 HZ2 LYS B 101 -0.150 -3.797 1.905 1.00 53.34 H new ATOM 0 HZ3 LYS B 101 -0.840 -5.079 1.031 1.00 53.34 H new ATOM 3397 N PRO B 102 -0.454 -2.716 8.525 1.00 62.00 N ATOM 3398 CA PRO B 102 -0.729 -1.705 9.588 1.00 24.13 C ATOM 3399 C PRO B 102 -0.030 -0.345 9.331 1.00 42.31 C ATOM 3400 O PRO B 102 -0.660 0.705 9.466 1.00 12.13 O ATOM 3401 CB PRO B 102 -0.194 -2.371 10.894 1.00 50.03 C ATOM 3402 CG PRO B 102 0.745 -3.446 10.429 1.00 14.43 C ATOM 3403 CD PRO B 102 0.187 -3.931 9.112 1.00 40.11 C ATOM 0 HA PRO B 102 -1.790 -1.459 9.633 1.00 24.13 H new ATOM 0 HB2 PRO B 102 0.319 -1.645 11.525 1.00 50.03 H new ATOM 0 HB3 PRO B 102 -1.009 -2.788 11.486 1.00 50.03 H new ATOM 0 HG2 PRO B 102 1.756 -3.057 10.307 1.00 14.43 H new ATOM 0 HG3 PRO B 102 0.801 -4.258 11.154 1.00 14.43 H new ATOM 0 HD2 PRO B 102 0.972 -4.321 8.464 1.00 40.11 H new ATOM 0 HD3 PRO B 102 -0.536 -4.734 9.256 1.00 40.11 H new ATOM 3411 N LEU B 103 1.257 -0.391 8.920 1.00 73.32 N ATOM 3412 CA LEU B 103 2.095 0.815 8.731 1.00 10.02 C ATOM 3413 C LEU B 103 1.506 1.685 7.609 1.00 62.41 C ATOM 3414 O LEU B 103 1.263 2.881 7.801 1.00 24.22 O ATOM 3415 CB LEU B 103 3.573 0.395 8.407 1.00 10.13 C ATOM 3416 CG LEU B 103 4.723 1.443 8.655 1.00 25.51 C ATOM 3417 CD1 LEU B 103 4.716 2.635 7.671 1.00 10.40 C ATOM 3418 CD2 LEU B 103 4.714 1.931 10.110 1.00 11.35 C ATOM 0 H LEU B 103 1.743 -1.263 8.710 1.00 73.32 H new ATOM 0 HA LEU B 103 2.104 1.401 9.650 1.00 10.02 H new ATOM 0 HB2 LEU B 103 3.802 -0.494 8.995 1.00 10.13 H new ATOM 0 HB3 LEU B 103 3.612 0.102 7.358 1.00 10.13 H new ATOM 0 HG LEU B 103 5.654 0.910 8.461 1.00 25.51 H new ATOM 0 HD11 LEU B 103 5.538 3.309 7.910 1.00 10.40 H new ATOM 0 HD12 LEU B 103 4.834 2.266 6.652 1.00 10.40 H new ATOM 0 HD13 LEU B 103 3.771 3.171 7.756 1.00 10.40 H new ATOM 0 HD21 LEU B 103 5.517 2.654 10.256 1.00 11.35 H new ATOM 0 HD22 LEU B 103 3.756 2.403 10.329 1.00 11.35 H new ATOM 0 HD23 LEU B 103 4.862 1.083 10.779 1.00 11.35 H new ATOM 3430 N LEU B 104 1.249 1.036 6.462 1.00 11.51 N ATOM 3431 CA LEU B 104 0.720 1.680 5.249 1.00 2.32 C ATOM 3432 C LEU B 104 -0.628 2.348 5.534 1.00 24.21 C ATOM 3433 O LEU B 104 -0.848 3.502 5.151 1.00 31.24 O ATOM 3434 CB LEU B 104 0.569 0.630 4.112 1.00 24.01 C ATOM 3435 CG LEU B 104 0.042 1.148 2.734 1.00 44.34 C ATOM 3436 CD1 LEU B 104 0.989 2.210 2.119 1.00 44.44 C ATOM 3437 CD2 LEU B 104 -0.189 -0.036 1.766 1.00 53.33 C ATOM 0 H LEU B 104 1.405 0.034 6.350 1.00 11.51 H new ATOM 0 HA LEU B 104 1.423 2.450 4.931 1.00 2.32 H new ATOM 0 HB2 LEU B 104 1.541 0.164 3.950 1.00 24.01 H new ATOM 0 HB3 LEU B 104 -0.105 -0.152 4.460 1.00 24.01 H new ATOM 0 HG LEU B 104 -0.915 1.641 2.903 1.00 44.34 H new ATOM 0 HD11 LEU B 104 0.588 2.545 1.162 1.00 44.44 H new ATOM 0 HD12 LEU B 104 1.070 3.060 2.796 1.00 44.44 H new ATOM 0 HD13 LEU B 104 1.976 1.773 1.966 1.00 44.44 H new ATOM 0 HD21 LEU B 104 -0.556 0.341 0.811 1.00 53.33 H new ATOM 0 HD22 LEU B 104 0.750 -0.567 1.610 1.00 53.33 H new ATOM 0 HD23 LEU B 104 -0.924 -0.717 2.194 1.00 53.33 H new ATOM 3449 N ASP B 105 -1.494 1.618 6.259 1.00 1.44 N ATOM 3450 CA ASP B 105 -2.863 2.060 6.556 1.00 34.41 C ATOM 3451 C ASP B 105 -2.852 3.318 7.435 1.00 65.23 C ATOM 3452 O ASP B 105 -3.461 4.328 7.083 1.00 61.32 O ATOM 3453 CB ASP B 105 -3.663 0.920 7.233 1.00 55.22 C ATOM 3454 CG ASP B 105 -5.155 1.263 7.395 1.00 21.34 C ATOM 3455 OD1 ASP B 105 -5.913 1.122 6.405 1.00 54.11 O ATOM 3456 OD2 ASP B 105 -5.572 1.733 8.479 1.00 71.13 O ATOM 0 H ASP B 105 -1.262 0.707 6.654 1.00 1.44 H new ATOM 0 HA ASP B 105 -3.354 2.313 5.617 1.00 34.41 H new ATOM 0 HB2 ASP B 105 -3.565 0.010 6.641 1.00 55.22 H new ATOM 0 HB3 ASP B 105 -3.233 0.711 8.213 1.00 55.22 H new ATOM 3461 N VAL B 106 -2.108 3.251 8.551 1.00 31.12 N ATOM 3462 CA VAL B 106 -1.976 4.363 9.518 1.00 14.44 C ATOM 3463 C VAL B 106 -1.427 5.641 8.837 1.00 61.25 C ATOM 3464 O VAL B 106 -1.990 6.725 9.011 1.00 30.42 O ATOM 3465 CB VAL B 106 -1.062 3.937 10.734 1.00 35.20 C ATOM 3466 CG1 VAL B 106 -0.666 5.133 11.643 1.00 41.15 C ATOM 3467 CG2 VAL B 106 -1.758 2.828 11.563 1.00 63.33 C ATOM 0 H VAL B 106 -1.576 2.421 8.813 1.00 31.12 H new ATOM 0 HA VAL B 106 -2.971 4.594 9.899 1.00 14.44 H new ATOM 0 HB VAL B 106 -0.135 3.548 10.314 1.00 35.20 H new ATOM 0 HG11 VAL B 106 -0.039 4.777 12.460 1.00 41.15 H new ATOM 0 HG12 VAL B 106 -0.115 5.869 11.057 1.00 41.15 H new ATOM 0 HG13 VAL B 106 -1.566 5.594 12.051 1.00 41.15 H new ATOM 0 HG21 VAL B 106 -1.118 2.543 12.398 1.00 63.33 H new ATOM 0 HG22 VAL B 106 -2.708 3.201 11.945 1.00 63.33 H new ATOM 0 HG23 VAL B 106 -1.937 1.959 10.930 1.00 63.33 H new ATOM 3477 N THR B 107 -0.369 5.480 8.021 1.00 52.13 N ATOM 3478 CA THR B 107 0.328 6.610 7.367 1.00 74.13 C ATOM 3479 C THR B 107 -0.525 7.236 6.225 1.00 12.22 C ATOM 3480 O THR B 107 -0.460 8.450 5.985 1.00 30.44 O ATOM 3481 CB THR B 107 1.729 6.160 6.830 1.00 5.30 C ATOM 3482 OG1 THR B 107 2.417 5.430 7.854 1.00 11.44 O ATOM 3483 CG2 THR B 107 2.607 7.353 6.419 1.00 31.52 C ATOM 0 H THR B 107 0.028 4.568 7.795 1.00 52.13 H new ATOM 0 HA THR B 107 0.476 7.382 8.122 1.00 74.13 H new ATOM 0 HB THR B 107 1.554 5.542 5.949 1.00 5.30 H new ATOM 0 HG1 THR B 107 2.064 4.517 7.899 1.00 11.44 H new ATOM 0 HG21 THR B 107 3.567 6.989 6.054 1.00 31.52 H new ATOM 0 HG22 THR B 107 2.109 7.917 5.630 1.00 31.52 H new ATOM 0 HG23 THR B 107 2.768 8.000 7.281 1.00 31.52 H new ATOM 3491 N CYS B 108 -1.329 6.402 5.537 1.00 12.01 N ATOM 3492 CA CYS B 108 -2.268 6.874 4.490 1.00 50.03 C ATOM 3493 C CYS B 108 -3.438 7.646 5.136 1.00 63.34 C ATOM 3494 O CYS B 108 -3.875 8.681 4.619 1.00 55.24 O ATOM 3495 CB CYS B 108 -2.792 5.685 3.648 1.00 63.13 C ATOM 3496 SG CYS B 108 -1.517 4.869 2.661 1.00 2.25 S ATOM 0 H CYS B 108 -1.350 5.393 5.686 1.00 12.01 H new ATOM 0 HA CYS B 108 -1.734 7.549 3.821 1.00 50.03 H new ATOM 0 HB2 CYS B 108 -3.246 4.952 4.315 1.00 63.13 H new ATOM 0 HB3 CYS B 108 -3.579 6.042 2.984 1.00 63.13 H new ATOM 0 HG CYS B 108 -0.860 4.031 3.407 1.00 2.25 H new ATOM 3502 N LYS B 109 -3.907 7.138 6.294 1.00 24.11 N ATOM 3503 CA LYS B 109 -4.963 7.785 7.104 1.00 40.41 C ATOM 3504 C LYS B 109 -4.458 9.108 7.708 1.00 25.55 C ATOM 3505 O LYS B 109 -5.255 10.013 7.920 1.00 25.22 O ATOM 3506 CB LYS B 109 -5.511 6.825 8.218 1.00 22.14 C ATOM 3507 CG LYS B 109 -6.719 5.940 7.801 1.00 65.42 C ATOM 3508 CD LYS B 109 -6.458 5.096 6.534 1.00 73.35 C ATOM 3509 CE LYS B 109 -7.640 4.188 6.169 1.00 13.25 C ATOM 3510 NZ LYS B 109 -7.919 3.182 7.228 1.00 71.52 N ATOM 0 H LYS B 109 -3.564 6.265 6.696 1.00 24.11 H new ATOM 0 HA LYS B 109 -5.795 8.013 6.437 1.00 40.41 H new ATOM 0 HB2 LYS B 109 -4.700 6.173 8.543 1.00 22.14 H new ATOM 0 HB3 LYS B 109 -5.803 7.425 9.080 1.00 22.14 H new ATOM 0 HG2 LYS B 109 -6.973 5.274 8.626 1.00 65.42 H new ATOM 0 HG3 LYS B 109 -7.585 6.579 7.630 1.00 65.42 H new ATOM 0 HD2 LYS B 109 -6.245 5.762 5.697 1.00 73.35 H new ATOM 0 HD3 LYS B 109 -5.570 4.484 6.688 1.00 73.35 H new ATOM 0 HE2 LYS B 109 -8.528 4.798 6.006 1.00 13.25 H new ATOM 0 HE3 LYS B 109 -7.428 3.676 5.230 1.00 13.25 H new ATOM 0 HZ1 LYS B 109 -8.317 2.324 6.796 1.00 71.52 H new ATOM 0 HZ2 LYS B 109 -7.035 2.943 7.721 1.00 71.52 H new ATOM 0 HZ3 LYS B 109 -8.600 3.575 7.909 1.00 71.52 H new ATOM 3524 N THR B 110 -3.138 9.193 7.988 1.00 14.32 N ATOM 3525 CA THR B 110 -2.494 10.433 8.462 1.00 35.20 C ATOM 3526 C THR B 110 -2.723 11.585 7.453 1.00 14.43 C ATOM 3527 O THR B 110 -3.128 12.690 7.843 1.00 22.25 O ATOM 3528 CB THR B 110 -0.957 10.220 8.701 1.00 14.32 C ATOM 3529 OG1 THR B 110 -0.750 9.172 9.664 1.00 44.22 O ATOM 3530 CG2 THR B 110 -0.251 11.499 9.195 1.00 2.54 C ATOM 0 H THR B 110 -2.495 8.407 7.892 1.00 14.32 H new ATOM 0 HA THR B 110 -2.952 10.702 9.414 1.00 35.20 H new ATOM 0 HB THR B 110 -0.524 9.948 7.738 1.00 14.32 H new ATOM 0 HG1 THR B 110 -0.581 9.566 10.545 1.00 44.22 H new ATOM 0 HG21 THR B 110 0.809 11.295 9.344 1.00 2.54 H new ATOM 0 HG22 THR B 110 -0.368 12.289 8.453 1.00 2.54 H new ATOM 0 HG23 THR B 110 -0.695 11.819 10.138 1.00 2.54 H new ATOM 3538 N VAL B 111 -2.517 11.288 6.150 1.00 43.02 N ATOM 3539 CA VAL B 111 -2.718 12.275 5.068 1.00 4.35 C ATOM 3540 C VAL B 111 -4.215 12.557 4.877 1.00 71.14 C ATOM 3541 O VAL B 111 -4.629 13.709 4.680 1.00 24.20 O ATOM 3542 CB VAL B 111 -2.116 11.815 3.689 1.00 15.13 C ATOM 3543 CG1 VAL B 111 -2.105 12.984 2.684 1.00 12.20 C ATOM 3544 CG2 VAL B 111 -0.715 11.207 3.850 1.00 70.41 C ATOM 0 H VAL B 111 -2.211 10.371 5.823 1.00 43.02 H new ATOM 0 HA VAL B 111 -2.189 13.175 5.380 1.00 4.35 H new ATOM 0 HB VAL B 111 -2.760 11.029 3.294 1.00 15.13 H new ATOM 0 HG11 VAL B 111 -1.685 12.646 1.737 1.00 12.20 H new ATOM 0 HG12 VAL B 111 -3.124 13.336 2.524 1.00 12.20 H new ATOM 0 HG13 VAL B 111 -1.498 13.798 3.080 1.00 12.20 H new ATOM 0 HG21 VAL B 111 -0.336 10.903 2.874 1.00 70.41 H new ATOM 0 HG22 VAL B 111 -0.044 11.948 4.285 1.00 70.41 H new ATOM 0 HG23 VAL B 111 -0.769 10.338 4.506 1.00 70.41 H new ATOM 3554 N ALA B 112 -5.015 11.477 4.953 1.00 14.25 N ATOM 3555 CA ALA B 112 -6.471 11.534 4.777 1.00 35.21 C ATOM 3556 C ALA B 112 -7.138 12.405 5.864 1.00 53.30 C ATOM 3557 O ALA B 112 -8.167 13.031 5.608 1.00 5.41 O ATOM 3558 CB ALA B 112 -7.060 10.120 4.783 1.00 50.00 C ATOM 0 H ALA B 112 -4.664 10.538 5.139 1.00 14.25 H new ATOM 0 HA ALA B 112 -6.676 11.998 3.812 1.00 35.21 H new ATOM 0 HB1 ALA B 112 -8.141 10.175 4.652 1.00 50.00 H new ATOM 0 HB2 ALA B 112 -6.625 9.541 3.968 1.00 50.00 H new ATOM 0 HB3 ALA B 112 -6.834 9.636 5.733 1.00 50.00 H new ATOM 3564 N ASN B 113 -6.526 12.437 7.069 1.00 23.44 N ATOM 3565 CA ASN B 113 -6.985 13.284 8.193 1.00 30.02 C ATOM 3566 C ASN B 113 -6.727 14.770 7.894 1.00 65.01 C ATOM 3567 O ASN B 113 -7.538 15.623 8.260 1.00 60.45 O ATOM 3568 CB ASN B 113 -6.288 12.881 9.535 1.00 34.40 C ATOM 3569 CG ASN B 113 -6.785 11.552 10.121 1.00 71.25 C ATOM 3570 OD1 ASN B 113 -7.945 11.173 9.941 1.00 52.52 O ATOM 3571 ND2 ASN B 113 -5.914 10.842 10.838 1.00 33.31 N ATOM 0 H ASN B 113 -5.702 11.878 7.289 1.00 23.44 H new ATOM 0 HA ASN B 113 -8.058 13.125 8.305 1.00 30.02 H new ATOM 0 HB2 ASN B 113 -5.213 12.814 9.368 1.00 34.40 H new ATOM 0 HB3 ASN B 113 -6.448 13.672 10.268 1.00 34.40 H new ATOM 0 HD21 ASN B 113 -6.200 9.957 11.257 1.00 33.31 H new ATOM 0 HD22 ASN B 113 -4.962 11.184 10.968 1.00 33.31 H new ATOM 3578 N MET B 114 -5.603 15.058 7.211 1.00 52.20 N ATOM 3579 CA MET B 114 -5.187 16.445 6.886 1.00 20.00 C ATOM 3580 C MET B 114 -6.130 17.084 5.844 1.00 74.32 C ATOM 3581 O MET B 114 -6.356 18.298 5.867 1.00 5.04 O ATOM 3582 CB MET B 114 -3.719 16.485 6.367 1.00 44.00 C ATOM 3583 CG MET B 114 -2.670 15.903 7.328 1.00 30.41 C ATOM 3584 SD MET B 114 -0.963 16.262 6.822 1.00 1.31 S ATOM 3585 CE MET B 114 -0.908 15.671 5.123 1.00 3.44 C ATOM 0 H MET B 114 -4.959 14.345 6.869 1.00 52.20 H new ATOM 0 HA MET B 114 -5.247 17.023 7.808 1.00 20.00 H new ATOM 0 HB2 MET B 114 -3.668 15.939 5.425 1.00 44.00 H new ATOM 0 HB3 MET B 114 -3.455 17.520 6.150 1.00 44.00 H new ATOM 0 HG2 MET B 114 -2.839 16.305 8.327 1.00 30.41 H new ATOM 0 HG3 MET B 114 -2.804 14.823 7.392 1.00 30.41 H new ATOM 0 HE1 MET B 114 -0.189 14.856 5.044 1.00 3.44 H new ATOM 0 HE2 MET B 114 -1.895 15.313 4.830 1.00 3.44 H new ATOM 0 HE3 MET B 114 -0.607 16.485 4.464 1.00 3.44 H new ATOM 3595 N ILE B 115 -6.665 16.252 4.928 1.00 20.35 N ATOM 3596 CA ILE B 115 -7.582 16.710 3.855 1.00 61.24 C ATOM 3597 C ILE B 115 -9.064 16.413 4.199 1.00 53.05 C ATOM 3598 O ILE B 115 -9.958 16.786 3.435 1.00 62.00 O ATOM 3599 CB ILE B 115 -7.227 16.045 2.462 1.00 61.14 C ATOM 3600 CG1 ILE B 115 -7.439 14.493 2.516 1.00 51.14 C ATOM 3601 CG2 ILE B 115 -5.779 16.399 2.028 1.00 12.41 C ATOM 3602 CD1 ILE B 115 -7.347 13.780 1.179 1.00 35.14 C ATOM 0 H ILE B 115 -6.478 15.250 4.907 1.00 20.35 H new ATOM 0 HA ILE B 115 -7.448 17.789 3.778 1.00 61.24 H new ATOM 0 HB ILE B 115 -7.905 16.450 1.711 1.00 61.14 H new ATOM 0 HG12 ILE B 115 -6.697 14.065 3.190 1.00 51.14 H new ATOM 0 HG13 ILE B 115 -8.418 14.291 2.950 1.00 51.14 H new ATOM 0 HG21 ILE B 115 -5.562 15.930 1.069 1.00 12.41 H new ATOM 0 HG22 ILE B 115 -5.682 17.480 1.933 1.00 12.41 H new ATOM 0 HG23 ILE B 115 -5.076 16.036 2.777 1.00 12.41 H new ATOM 0 HD11 ILE B 115 -7.508 12.712 1.324 1.00 35.14 H new ATOM 0 HD12 ILE B 115 -8.107 14.173 0.504 1.00 35.14 H new ATOM 0 HD13 ILE B 115 -6.360 13.943 0.747 1.00 35.14 H new ATOM 3614 N ARG B 116 -9.302 15.756 5.353 1.00 43.32 N ATOM 3615 CA ARG B 116 -10.628 15.213 5.737 1.00 32.44 C ATOM 3616 C ARG B 116 -11.721 16.299 5.779 1.00 71.00 C ATOM 3617 O ARG B 116 -12.783 16.154 5.167 1.00 33.12 O ATOM 3618 CB ARG B 116 -10.546 14.541 7.136 1.00 3.31 C ATOM 3619 CG ARG B 116 -11.818 13.750 7.549 1.00 61.31 C ATOM 3620 CD ARG B 116 -11.943 13.570 9.071 1.00 40.53 C ATOM 3621 NE ARG B 116 -12.142 14.862 9.758 1.00 13.14 N ATOM 3622 CZ ARG B 116 -12.360 15.018 11.076 1.00 0.10 C ATOM 3623 NH1 ARG B 116 -12.402 13.971 11.897 1.00 52.51 N ATOM 3624 NH2 ARG B 116 -12.546 16.234 11.557 1.00 61.22 N ATOM 0 H ARG B 116 -8.578 15.585 6.051 1.00 43.32 H new ATOM 0 HA ARG B 116 -10.899 14.484 4.973 1.00 32.44 H new ATOM 0 HB2 ARG B 116 -9.692 13.863 7.150 1.00 3.31 H new ATOM 0 HB3 ARG B 116 -10.354 15.311 7.884 1.00 3.31 H new ATOM 0 HG2 ARG B 116 -12.700 14.270 7.176 1.00 61.31 H new ATOM 0 HG3 ARG B 116 -11.801 12.770 7.073 1.00 61.31 H new ATOM 0 HD2 ARG B 116 -12.780 12.907 9.292 1.00 40.53 H new ATOM 0 HD3 ARG B 116 -11.044 13.088 9.456 1.00 40.53 H new ATOM 0 HE ARG B 116 -12.112 15.706 9.186 1.00 13.14 H new ATOM 0 HH11 ARG B 116 -12.268 13.029 11.530 1.00 52.51 H new ATOM 0 HH12 ARG B 116 -12.569 14.111 12.894 1.00 52.51 H new ATOM 0 HH21 ARG B 116 -12.523 17.039 10.931 1.00 61.22 H new ATOM 0 HH22 ARG B 116 -12.712 16.368 12.554 1.00 61.22 H new ATOM 3638 N GLY B 117 -11.427 17.371 6.519 1.00 54.14 N ATOM 3639 CA GLY B 117 -12.406 18.405 6.847 1.00 44.01 C ATOM 3640 C GLY B 117 -12.358 18.692 8.349 1.00 14.40 C ATOM 3641 O GLY B 117 -11.639 19.626 8.759 1.00 74.05 O ATOM 3642 OXT GLY B 117 -12.978 17.933 9.126 1.00 38.17 O ATOM 0 H GLY B 117 -10.500 17.545 6.908 1.00 54.14 H new ATOM 0 HA2 GLY B 117 -12.193 19.314 6.285 1.00 44.01 H new ATOM 0 HA3 GLY B 117 -13.406 18.079 6.560 1.00 44.01 H new TER 3646 GLY B 117