USER MOD reduce.3.24.130724 H: found=0, std=0, add=1732, rem=0, adj=55 USER MOD reduce.3.24.130724 removed 1738 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 85 GLN : amide:sc= 0.0403 K(o=-1,f=-9.1!) USER MOD Set 1.2: B 114 MET CE :methyl -143:sc= -1.05 (180deg=-3.48!) USER MOD Set 2.1: B 81 CYS SG : rot 80:sc= 1.2 USER MOD Set 2.2: B 110 THR OG1 : rot 67:sc= 1.17 USER MOD Set 3.1: B 57 TYR OH : rot 180:sc= -0.0755 USER MOD Set 3.2: B 61 HIS : no HE2:sc= 0.987 K(o=0.91,f=-3.1!) USER MOD Set 4.1: B 37 SER OG : rot 180:sc= 0.345 USER MOD Set 4.2: B 39 SER OG : rot 1:sc= 0.34 USER MOD Set 5.1: B 28 LYS NZ :NH3+ -123:sc= 1.87 (180deg=0.0269) USER MOD Set 5.2: B 29 ASN : amide:sc= 1.03 K(o=2.9,f=-5.5) USER MOD Set 6.1: A 85 GLN : amide:sc= 0.0748 K(o=-1.1,f=-8.5!) USER MOD Set 6.2: A 114 MET CE :methyl -142:sc= -1.14 (180deg=-3.47!) USER MOD Set 7.1: A 81 CYS SG : rot 67:sc= 1.74 USER MOD Set 7.2: A 110 THR OG1 : rot -137:sc= 0.622 USER MOD Set 8.1: A 57 TYR OH : rot 180:sc= -0.0748 USER MOD Set 8.2: A 61 HIS : no HE2:sc= 1.12 K(o=1,f=-3.5!) USER MOD Set 9.1: A 37 SER OG : rot 180:sc= 0.281 USER MOD Set 9.2: A 39 SER OG : rot 0:sc= 0.262 USER MOD Set10.1: A 28 LYS NZ :NH3+ -123:sc= 1.89 (180deg=0.0283) USER MOD Set10.2: A 29 ASN : amide:sc= 0.981 K(o=2.9,f=-4.9) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -80:sc= 0.362 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0783 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 CYS SG : rot 46:sc= 1.05 USER MOD Single : A 23 MET CE :methyl -165:sc= -1.35 (180deg=-1.97) USER MOD Single : A 24 SER OG : rot 20:sc= 0.23 USER MOD Single : A 26 THR OG1 : rot 179:sc= 0.352 USER MOD Single : A 30 MET CE :methyl 173:sc= 0 (180deg=-0.0782) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.399 USER MOD Single : A 48 SER OG : rot -142:sc= 0.362 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -137:sc= 1.18 (180deg=-1) USER MOD Single : A 58 CYS SG : rot 76:sc= -2.05! USER MOD Single : A 60 HIS : no HD1:sc= -0.0718 K(o=-0.072,f=-0.63) USER MOD Single : A 62 HIS : no HD1:sc= -0.5 K(o=-0.5,f=-1.2) USER MOD Single : A 63 GLN : amide:sc= -0.873 K(o=-0.87,f=-2.7!) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 76 TYR OH : rot 20:sc= 0.0247 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.444 USER MOD Single : A 96 ASN : amide:sc= -0.176 K(o=-0.18,f=-0.78) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -152:sc= 1.18 (180deg=0.877) USER MOD Single : A 107 THR OG1 : rot 81:sc= 0.641 USER MOD Single : A 108 CYS SG : rot 87:sc= 0.556 USER MOD Single : A 109 LYS NZ :NH3+ -143:sc= 0.469 (180deg=-0.23) USER MOD Single : A 113 ASN : amide:sc= -0.295 K(o=-0.3,f=-0.87) USER MOD Single : B 2 SER OG : rot 27:sc= 0.127 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot -79:sc= 0.37 USER MOD Single : B 9 SER OG : rot 180:sc= -0.0458 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 CYS SG : rot 52:sc= 1.04 USER MOD Single : B 23 MET CE :methyl -166:sc= -1.45 (180deg=-1.94) USER MOD Single : B 24 SER OG : rot 20:sc= 0.233 USER MOD Single : B 26 THR OG1 : rot 179:sc= 0.299 USER MOD Single : B 30 MET CE :methyl 172:sc= 0 (180deg=-0.0998) USER MOD Single : B 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 47 THR OG1 : rot 180:sc= -0.514 USER MOD Single : B 48 SER OG : rot -139:sc= 0.466 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 LYS NZ :NH3+ -128:sc= 1.23 (180deg=-1) USER MOD Single : B 58 CYS SG : rot 81:sc= -1.95! USER MOD Single : B 60 HIS : no HD1:sc= -0.0867 K(o=-0.087,f=-0.7) USER MOD Single : B 62 HIS : no HD1:sc= -0.576 K(o=-0.58,f=-1.3) USER MOD Single : B 63 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.8!) USER MOD Single : B 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot 180:sc= -0.567 USER MOD Single : B 96 ASN : amide:sc= -0.509 X(o=-0.51,f=-0.8) USER MOD Single : B 97 TYR OH : rot 180:sc= 0 USER MOD Single : B 101 LYS NZ :NH3+ -150:sc= 1.22 (180deg=0.661) USER MOD Single : B 107 THR OG1 : rot 83:sc= 0.644 USER MOD Single : B 108 CYS SG : rot 86:sc= 0.589 USER MOD Single : B 109 LYS NZ :NH3+ -148:sc= 0.379 (180deg=-0.329) USER MOD Single : B 113 ASN : amide:sc= -0.241 K(o=-0.24,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 14 N LEU A 3 -17.443 -11.763 -16.316 1.00 65.44 N ATOM 15 CA LEU A 3 -17.514 -10.502 -15.555 1.00 21.00 C ATOM 16 C LEU A 3 -17.958 -10.774 -14.107 1.00 0.31 C ATOM 17 O LEU A 3 -19.008 -11.389 -13.891 1.00 75.31 O ATOM 18 CB LEU A 3 -18.527 -9.535 -16.231 1.00 34.20 C ATOM 19 CG LEU A 3 -18.244 -9.173 -17.726 1.00 12.44 C ATOM 20 CD1 LEU A 3 -19.443 -8.442 -18.358 1.00 62.11 C ATOM 21 CD2 LEU A 3 -16.943 -8.347 -17.864 1.00 14.43 C ATOM 0 HA LEU A 3 -16.524 -10.047 -15.544 1.00 21.00 H new ATOM 0 HB2 LEU A 3 -19.520 -9.980 -16.168 1.00 34.20 H new ATOM 0 HB3 LEU A 3 -18.555 -8.611 -15.654 1.00 34.20 H new ATOM 0 HG LEU A 3 -18.102 -10.105 -18.273 1.00 12.44 H new ATOM 0 HD11 LEU A 3 -19.217 -8.203 -19.397 1.00 62.11 H new ATOM 0 HD12 LEU A 3 -20.323 -9.083 -18.316 1.00 62.11 H new ATOM 0 HD13 LEU A 3 -19.639 -7.521 -17.808 1.00 62.11 H new ATOM 0 HD21 LEU A 3 -16.772 -8.110 -18.914 1.00 14.43 H new ATOM 0 HD22 LEU A 3 -17.037 -7.423 -17.294 1.00 14.43 H new ATOM 0 HD23 LEU A 3 -16.102 -8.926 -17.481 1.00 14.43 H new ATOM 33 N VAL A 4 -17.143 -10.348 -13.128 1.00 11.12 N ATOM 34 CA VAL A 4 -17.561 -10.276 -11.717 1.00 51.33 C ATOM 35 C VAL A 4 -18.142 -8.875 -11.440 1.00 63.43 C ATOM 36 O VAL A 4 -17.552 -7.849 -11.819 1.00 22.04 O ATOM 37 CB VAL A 4 -16.394 -10.621 -10.708 1.00 50.35 C ATOM 38 CG1 VAL A 4 -15.982 -12.109 -10.830 1.00 63.20 C ATOM 39 CG2 VAL A 4 -15.170 -9.689 -10.896 1.00 43.41 C ATOM 0 H VAL A 4 -16.182 -10.046 -13.290 1.00 11.12 H new ATOM 0 HA VAL A 4 -18.325 -11.036 -11.552 1.00 51.33 H new ATOM 0 HB VAL A 4 -16.775 -10.451 -9.701 1.00 50.35 H new ATOM 0 HG11 VAL A 4 -15.178 -12.323 -10.126 1.00 63.20 H new ATOM 0 HG12 VAL A 4 -16.839 -12.744 -10.605 1.00 63.20 H new ATOM 0 HG13 VAL A 4 -15.639 -12.309 -11.845 1.00 63.20 H new ATOM 0 HG21 VAL A 4 -14.392 -9.961 -10.183 1.00 43.41 H new ATOM 0 HG22 VAL A 4 -14.785 -9.794 -11.910 1.00 43.41 H new ATOM 0 HG23 VAL A 4 -15.471 -8.655 -10.728 1.00 43.41 H new ATOM 49 N LYS A 5 -19.326 -8.853 -10.820 1.00 62.31 N ATOM 50 CA LYS A 5 -20.089 -7.630 -10.574 1.00 61.12 C ATOM 51 C LYS A 5 -19.609 -6.970 -9.270 1.00 73.14 C ATOM 52 O LYS A 5 -20.044 -7.346 -8.177 1.00 23.23 O ATOM 53 CB LYS A 5 -21.606 -7.972 -10.510 1.00 12.44 C ATOM 54 CG LYS A 5 -22.167 -8.608 -11.798 1.00 71.33 C ATOM 55 CD LYS A 5 -23.693 -8.857 -11.735 1.00 24.12 C ATOM 56 CE LYS A 5 -24.251 -9.440 -13.044 1.00 43.22 C ATOM 57 NZ LYS A 5 -25.722 -9.633 -12.988 1.00 61.51 N ATOM 0 H LYS A 5 -19.785 -9.695 -10.472 1.00 62.31 H new ATOM 0 HA LYS A 5 -19.930 -6.922 -11.387 1.00 61.12 H new ATOM 0 HB2 LYS A 5 -21.778 -8.654 -9.677 1.00 12.44 H new ATOM 0 HB3 LYS A 5 -22.164 -7.060 -10.296 1.00 12.44 H new ATOM 0 HG2 LYS A 5 -21.945 -7.957 -12.644 1.00 71.33 H new ATOM 0 HG3 LYS A 5 -21.657 -9.554 -11.981 1.00 71.33 H new ATOM 0 HD2 LYS A 5 -23.912 -9.540 -10.915 1.00 24.12 H new ATOM 0 HD3 LYS A 5 -24.202 -7.919 -11.513 1.00 24.12 H new ATOM 0 HE2 LYS A 5 -24.005 -8.774 -13.871 1.00 43.22 H new ATOM 0 HE3 LYS A 5 -23.768 -10.395 -13.250 1.00 43.22 H new ATOM 0 HZ1 LYS A 5 -26.055 -10.028 -13.891 1.00 61.51 H new ATOM 0 HZ2 LYS A 5 -25.957 -10.289 -12.216 1.00 61.51 H new ATOM 0 HZ3 LYS A 5 -26.186 -8.718 -12.818 1.00 61.51 H new ATOM 71 N LEU A 6 -18.676 -6.011 -9.390 1.00 25.52 N ATOM 72 CA LEU A 6 -18.122 -5.300 -8.230 1.00 13.33 C ATOM 73 C LEU A 6 -18.915 -4.017 -7.986 1.00 63.21 C ATOM 74 O LEU A 6 -18.646 -2.976 -8.599 1.00 54.52 O ATOM 75 CB LEU A 6 -16.612 -5.002 -8.430 1.00 61.24 C ATOM 76 CG LEU A 6 -15.694 -6.252 -8.626 1.00 2.21 C ATOM 77 CD1 LEU A 6 -14.220 -5.845 -8.775 1.00 54.43 C ATOM 78 CD2 LEU A 6 -15.879 -7.277 -7.478 1.00 3.41 C ATOM 0 H LEU A 6 -18.289 -5.710 -10.285 1.00 25.52 H new ATOM 0 HA LEU A 6 -18.211 -5.936 -7.349 1.00 13.33 H new ATOM 0 HB2 LEU A 6 -16.501 -4.353 -9.298 1.00 61.24 H new ATOM 0 HB3 LEU A 6 -16.253 -4.443 -7.566 1.00 61.24 H new ATOM 0 HG LEU A 6 -15.999 -6.738 -9.553 1.00 2.21 H new ATOM 0 HD11 LEU A 6 -13.608 -6.737 -8.910 1.00 54.43 H new ATOM 0 HD12 LEU A 6 -14.108 -5.194 -9.642 1.00 54.43 H new ATOM 0 HD13 LEU A 6 -13.897 -5.315 -7.879 1.00 54.43 H new ATOM 0 HD21 LEU A 6 -15.226 -8.133 -7.646 1.00 3.41 H new ATOM 0 HD22 LEU A 6 -15.625 -6.808 -6.527 1.00 3.41 H new ATOM 0 HD23 LEU A 6 -16.916 -7.611 -7.452 1.00 3.41 H new ATOM 90 N GLU A 7 -19.938 -4.124 -7.122 1.00 35.13 N ATOM 91 CA GLU A 7 -20.736 -2.974 -6.698 1.00 70.43 C ATOM 92 C GLU A 7 -19.933 -2.141 -5.686 1.00 4.05 C ATOM 93 O GLU A 7 -19.287 -2.692 -4.796 1.00 13.20 O ATOM 94 CB GLU A 7 -22.085 -3.438 -6.096 1.00 0.42 C ATOM 95 CG GLU A 7 -22.996 -2.285 -5.609 1.00 64.52 C ATOM 96 CD GLU A 7 -24.375 -2.743 -5.105 1.00 12.44 C ATOM 97 OE1 GLU A 7 -24.428 -3.654 -4.259 1.00 75.14 O ATOM 98 OE2 GLU A 7 -25.414 -2.188 -5.536 1.00 0.43 O ATOM 0 H GLU A 7 -20.230 -5.007 -6.703 1.00 35.13 H new ATOM 0 HA GLU A 7 -20.961 -2.352 -7.564 1.00 70.43 H new ATOM 0 HB2 GLU A 7 -22.623 -4.019 -6.845 1.00 0.42 H new ATOM 0 HB3 GLU A 7 -21.885 -4.106 -5.258 1.00 0.42 H new ATOM 0 HG2 GLU A 7 -22.488 -1.749 -4.807 1.00 64.52 H new ATOM 0 HG3 GLU A 7 -23.137 -1.578 -6.426 1.00 64.52 H new ATOM 105 N SER A 8 -19.958 -0.820 -5.869 1.00 34.30 N ATOM 106 CA SER A 8 -19.301 0.134 -4.973 1.00 54.11 C ATOM 107 C SER A 8 -20.183 0.425 -3.743 1.00 71.43 C ATOM 108 O SER A 8 -21.328 -0.052 -3.656 1.00 74.21 O ATOM 109 CB SER A 8 -19.017 1.436 -5.760 1.00 53.51 C ATOM 110 OG SER A 8 -20.211 1.978 -6.314 1.00 23.42 O ATOM 0 H SER A 8 -20.440 -0.377 -6.651 1.00 34.30 H new ATOM 0 HA SER A 8 -18.364 -0.290 -4.612 1.00 54.11 H new ATOM 0 HB2 SER A 8 -18.555 2.169 -5.099 1.00 53.51 H new ATOM 0 HB3 SER A 8 -18.303 1.232 -6.558 1.00 53.51 H new ATOM 0 HG SER A 8 -20.442 1.492 -7.133 1.00 23.42 H new ATOM 116 N SER A 9 -19.642 1.216 -2.802 1.00 73.34 N ATOM 117 CA SER A 9 -20.406 1.757 -1.665 1.00 3.30 C ATOM 118 C SER A 9 -21.515 2.710 -2.162 1.00 52.25 C ATOM 119 O SER A 9 -22.544 2.872 -1.507 1.00 1.22 O ATOM 120 CB SER A 9 -19.445 2.483 -0.692 1.00 34.23 C ATOM 121 OG SER A 9 -18.686 3.481 -1.357 1.00 71.53 O ATOM 0 H SER A 9 -18.662 1.499 -2.808 1.00 73.34 H new ATOM 0 HA SER A 9 -20.887 0.936 -1.133 1.00 3.30 H new ATOM 0 HB2 SER A 9 -20.019 2.939 0.115 1.00 34.23 H new ATOM 0 HB3 SER A 9 -18.772 1.757 -0.235 1.00 34.23 H new ATOM 0 HG SER A 9 -18.091 3.921 -0.715 1.00 71.53 H new ATOM 127 N ASP A 10 -21.290 3.306 -3.354 1.00 34.40 N ATOM 128 CA ASP A 10 -22.236 4.237 -4.011 1.00 54.43 C ATOM 129 C ASP A 10 -23.326 3.468 -4.811 1.00 24.12 C ATOM 130 O ASP A 10 -24.099 4.068 -5.563 1.00 33.01 O ATOM 131 CB ASP A 10 -21.428 5.204 -4.923 1.00 71.03 C ATOM 132 CG ASP A 10 -22.250 6.389 -5.474 1.00 43.11 C ATOM 133 OD1 ASP A 10 -22.638 6.379 -6.664 1.00 0.32 O ATOM 134 OD2 ASP A 10 -22.512 7.335 -4.712 1.00 51.33 O ATOM 0 H ASP A 10 -20.438 3.153 -3.893 1.00 34.40 H new ATOM 0 HA ASP A 10 -22.764 4.816 -3.253 1.00 54.43 H new ATOM 0 HB2 ASP A 10 -20.581 5.595 -4.359 1.00 71.03 H new ATOM 0 HB3 ASP A 10 -21.019 4.639 -5.761 1.00 71.03 H new ATOM 139 N GLU A 11 -23.362 2.124 -4.643 1.00 64.45 N ATOM 140 CA GLU A 11 -24.414 1.232 -5.197 1.00 13.31 C ATOM 141 C GLU A 11 -24.341 1.063 -6.731 1.00 4.23 C ATOM 142 O GLU A 11 -25.214 0.419 -7.325 1.00 21.43 O ATOM 143 CB GLU A 11 -25.844 1.682 -4.756 1.00 63.10 C ATOM 144 CG GLU A 11 -26.106 1.596 -3.235 1.00 42.44 C ATOM 145 CD GLU A 11 -27.494 2.116 -2.809 1.00 23.01 C ATOM 146 OE1 GLU A 11 -28.511 1.619 -3.344 1.00 52.01 O ATOM 147 OE2 GLU A 11 -27.577 2.985 -1.914 1.00 71.10 O ATOM 0 H GLU A 11 -22.652 1.620 -4.112 1.00 64.45 H new ATOM 0 HA GLU A 11 -24.212 0.249 -4.771 1.00 13.31 H new ATOM 0 HB2 GLU A 11 -26.003 2.710 -5.081 1.00 63.10 H new ATOM 0 HB3 GLU A 11 -26.580 1.066 -5.273 1.00 63.10 H new ATOM 0 HG2 GLU A 11 -26.004 0.558 -2.917 1.00 42.44 H new ATOM 0 HG3 GLU A 11 -25.339 2.166 -2.711 1.00 42.44 H new ATOM 154 N LYS A 12 -23.299 1.617 -7.373 1.00 60.21 N ATOM 155 CA LYS A 12 -23.095 1.468 -8.823 1.00 71.15 C ATOM 156 C LYS A 12 -22.201 0.252 -9.092 1.00 31.11 C ATOM 157 O LYS A 12 -21.092 0.156 -8.554 1.00 33.55 O ATOM 158 CB LYS A 12 -22.505 2.766 -9.428 1.00 11.51 C ATOM 159 CG LYS A 12 -23.461 3.977 -9.319 1.00 42.24 C ATOM 160 CD LYS A 12 -22.923 5.242 -10.030 1.00 24.32 C ATOM 161 CE LYS A 12 -23.903 6.427 -9.952 1.00 3.42 C ATOM 162 NZ LYS A 12 -23.362 7.636 -10.619 1.00 22.15 N ATOM 0 H LYS A 12 -22.582 2.174 -6.908 1.00 60.21 H new ATOM 0 HA LYS A 12 -24.055 1.298 -9.310 1.00 71.15 H new ATOM 0 HB2 LYS A 12 -21.569 3.003 -8.921 1.00 11.51 H new ATOM 0 HB3 LYS A 12 -22.265 2.594 -10.477 1.00 11.51 H new ATOM 0 HG2 LYS A 12 -24.427 3.710 -9.748 1.00 42.24 H new ATOM 0 HG3 LYS A 12 -23.632 4.204 -8.267 1.00 42.24 H new ATOM 0 HD2 LYS A 12 -21.973 5.531 -9.580 1.00 24.32 H new ATOM 0 HD3 LYS A 12 -22.723 5.009 -11.076 1.00 24.32 H new ATOM 0 HE2 LYS A 12 -24.848 6.148 -10.417 1.00 3.42 H new ATOM 0 HE3 LYS A 12 -24.117 6.653 -8.907 1.00 3.42 H new ATOM 0 HZ1 LYS A 12 -24.051 8.411 -10.545 1.00 22.15 H new ATOM 0 HZ2 LYS A 12 -22.473 7.918 -10.159 1.00 22.15 H new ATOM 0 HZ3 LYS A 12 -23.182 7.428 -11.622 1.00 22.15 H new ATOM 176 N VAL A 13 -22.721 -0.681 -9.905 1.00 1.43 N ATOM 177 CA VAL A 13 -22.064 -1.959 -10.202 1.00 40.41 C ATOM 178 C VAL A 13 -21.110 -1.802 -11.398 1.00 53.31 C ATOM 179 O VAL A 13 -21.523 -1.344 -12.472 1.00 11.12 O ATOM 180 CB VAL A 13 -23.124 -3.076 -10.511 1.00 22.23 C ATOM 181 CG1 VAL A 13 -22.448 -4.451 -10.743 1.00 61.24 C ATOM 182 CG2 VAL A 13 -24.193 -3.160 -9.389 1.00 23.51 C ATOM 0 H VAL A 13 -23.617 -0.566 -10.378 1.00 1.43 H new ATOM 0 HA VAL A 13 -21.492 -2.257 -9.323 1.00 40.41 H new ATOM 0 HB VAL A 13 -23.631 -2.800 -11.435 1.00 22.23 H new ATOM 0 HG11 VAL A 13 -23.211 -5.200 -10.954 1.00 61.24 H new ATOM 0 HG12 VAL A 13 -21.763 -4.382 -11.588 1.00 61.24 H new ATOM 0 HG13 VAL A 13 -21.894 -4.739 -9.850 1.00 61.24 H new ATOM 0 HG21 VAL A 13 -24.913 -3.942 -9.630 1.00 23.51 H new ATOM 0 HG22 VAL A 13 -23.708 -3.393 -8.441 1.00 23.51 H new ATOM 0 HG23 VAL A 13 -24.710 -2.204 -9.306 1.00 23.51 H new ATOM 192 N PHE A 14 -19.838 -2.155 -11.185 1.00 64.41 N ATOM 193 CA PHE A 14 -18.801 -2.159 -12.226 1.00 15.24 C ATOM 194 C PHE A 14 -18.423 -3.610 -12.545 1.00 33.31 C ATOM 195 O PHE A 14 -17.706 -4.262 -11.773 1.00 74.24 O ATOM 196 CB PHE A 14 -17.563 -1.349 -11.761 1.00 2.44 C ATOM 197 CG PHE A 14 -17.845 0.134 -11.537 1.00 31.23 C ATOM 198 CD1 PHE A 14 -17.600 1.069 -12.545 1.00 34.02 C ATOM 199 CD2 PHE A 14 -18.363 0.590 -10.327 1.00 71.30 C ATOM 200 CE1 PHE A 14 -17.868 2.408 -12.348 1.00 4.31 C ATOM 201 CE2 PHE A 14 -18.630 1.926 -10.131 1.00 64.02 C ATOM 202 CZ PHE A 14 -18.381 2.838 -11.140 1.00 44.31 C ATOM 0 H PHE A 14 -19.493 -2.451 -10.272 1.00 64.41 H new ATOM 0 HA PHE A 14 -19.184 -1.683 -13.129 1.00 15.24 H new ATOM 0 HB2 PHE A 14 -17.185 -1.781 -10.835 1.00 2.44 H new ATOM 0 HB3 PHE A 14 -16.774 -1.451 -12.506 1.00 2.44 H new ATOM 0 HD1 PHE A 14 -17.196 0.740 -13.491 1.00 34.02 H new ATOM 0 HD2 PHE A 14 -18.558 -0.114 -9.532 1.00 71.30 H new ATOM 0 HE1 PHE A 14 -17.677 3.119 -13.138 1.00 4.31 H new ATOM 0 HE2 PHE A 14 -19.035 2.262 -9.188 1.00 64.02 H new ATOM 0 HZ PHE A 14 -18.588 3.886 -10.983 1.00 44.31 H new ATOM 212 N GLU A 15 -18.957 -4.122 -13.666 1.00 33.02 N ATOM 213 CA GLU A 15 -18.723 -5.503 -14.116 1.00 53.25 C ATOM 214 C GLU A 15 -17.378 -5.580 -14.853 1.00 33.00 C ATOM 215 O GLU A 15 -17.280 -5.241 -16.038 1.00 63.13 O ATOM 216 CB GLU A 15 -19.886 -5.970 -15.023 1.00 70.24 C ATOM 217 CG GLU A 15 -21.271 -5.887 -14.354 1.00 53.51 C ATOM 218 CD GLU A 15 -22.409 -6.368 -15.264 1.00 34.53 C ATOM 219 OE1 GLU A 15 -22.637 -7.592 -15.357 1.00 40.14 O ATOM 220 OE2 GLU A 15 -23.072 -5.525 -15.909 1.00 40.22 O ATOM 0 H GLU A 15 -19.565 -3.588 -14.287 1.00 33.02 H new ATOM 0 HA GLU A 15 -18.683 -6.168 -13.254 1.00 53.25 H new ATOM 0 HB2 GLU A 15 -19.894 -5.363 -15.929 1.00 70.24 H new ATOM 0 HB3 GLU A 15 -19.703 -7.000 -15.331 1.00 70.24 H new ATOM 0 HG2 GLU A 15 -21.264 -6.486 -13.443 1.00 53.51 H new ATOM 0 HG3 GLU A 15 -21.463 -4.856 -14.056 1.00 53.51 H new ATOM 227 N ILE A 16 -16.340 -5.960 -14.108 1.00 43.23 N ATOM 228 CA ILE A 16 -14.973 -6.131 -14.631 1.00 21.45 C ATOM 229 C ILE A 16 -14.701 -7.639 -14.770 1.00 43.24 C ATOM 230 O ILE A 16 -15.300 -8.434 -14.044 1.00 5.52 O ATOM 231 CB ILE A 16 -13.919 -5.450 -13.660 1.00 24.40 C ATOM 232 CG1 ILE A 16 -12.479 -5.395 -14.276 1.00 35.04 C ATOM 233 CG2 ILE A 16 -13.897 -6.154 -12.284 1.00 1.02 C ATOM 234 CD1 ILE A 16 -12.354 -4.560 -15.539 1.00 12.23 C ATOM 0 H ILE A 16 -16.420 -6.162 -13.111 1.00 43.23 H new ATOM 0 HA ILE A 16 -14.877 -5.648 -15.604 1.00 21.45 H new ATOM 0 HB ILE A 16 -14.245 -4.419 -13.521 1.00 24.40 H new ATOM 0 HG12 ILE A 16 -11.794 -4.998 -13.527 1.00 35.04 H new ATOM 0 HG13 ILE A 16 -12.155 -6.412 -14.497 1.00 35.04 H new ATOM 0 HG21 ILE A 16 -13.166 -5.667 -11.638 1.00 1.02 H new ATOM 0 HG22 ILE A 16 -14.885 -6.090 -11.827 1.00 1.02 H new ATOM 0 HG23 ILE A 16 -13.625 -7.201 -12.415 1.00 1.02 H new ATOM 0 HD11 ILE A 16 -11.322 -4.583 -15.890 1.00 12.23 H new ATOM 0 HD12 ILE A 16 -13.008 -4.966 -16.310 1.00 12.23 H new ATOM 0 HD13 ILE A 16 -12.642 -3.531 -15.325 1.00 12.23 H new ATOM 246 N GLU A 17 -13.824 -8.031 -15.703 1.00 13.32 N ATOM 247 CA GLU A 17 -13.458 -9.445 -15.900 1.00 32.45 C ATOM 248 C GLU A 17 -12.691 -9.965 -14.667 1.00 31.51 C ATOM 249 O GLU A 17 -11.901 -9.229 -14.065 1.00 22.32 O ATOM 250 CB GLU A 17 -12.625 -9.609 -17.196 1.00 3.11 C ATOM 251 CG GLU A 17 -13.324 -9.058 -18.455 1.00 51.13 C ATOM 252 CD GLU A 17 -12.503 -9.210 -19.746 1.00 51.02 C ATOM 253 OE1 GLU A 17 -12.413 -10.340 -20.267 1.00 12.31 O ATOM 254 OE2 GLU A 17 -11.962 -8.202 -20.255 1.00 15.31 O ATOM 0 H GLU A 17 -13.351 -7.387 -16.338 1.00 13.32 H new ATOM 0 HA GLU A 17 -14.364 -10.040 -16.011 1.00 32.45 H new ATOM 0 HB2 GLU A 17 -11.669 -9.101 -17.070 1.00 3.11 H new ATOM 0 HB3 GLU A 17 -12.406 -10.666 -17.346 1.00 3.11 H new ATOM 0 HG2 GLU A 17 -14.278 -9.570 -18.581 1.00 51.13 H new ATOM 0 HG3 GLU A 17 -13.547 -8.002 -18.301 1.00 51.13 H new ATOM 261 N LYS A 18 -12.954 -11.226 -14.293 1.00 63.22 N ATOM 262 CA LYS A 18 -12.407 -11.843 -13.067 1.00 74.34 C ATOM 263 C LYS A 18 -10.873 -11.949 -13.135 1.00 0.13 C ATOM 264 O LYS A 18 -10.189 -11.682 -12.152 1.00 10.01 O ATOM 265 CB LYS A 18 -13.029 -13.246 -12.850 1.00 1.13 C ATOM 266 CG LYS A 18 -12.543 -13.980 -11.570 1.00 32.35 C ATOM 267 CD LYS A 18 -13.180 -15.375 -11.397 1.00 41.31 C ATOM 268 CE LYS A 18 -12.902 -16.318 -12.581 1.00 2.01 C ATOM 269 NZ LYS A 18 -13.478 -17.664 -12.364 1.00 61.32 N ATOM 0 H LYS A 18 -13.553 -11.852 -14.831 1.00 63.22 H new ATOM 0 HA LYS A 18 -12.666 -11.203 -12.223 1.00 74.34 H new ATOM 0 HB2 LYS A 18 -14.113 -13.145 -12.805 1.00 1.13 H new ATOM 0 HB3 LYS A 18 -12.803 -13.867 -13.717 1.00 1.13 H new ATOM 0 HG2 LYS A 18 -11.459 -14.084 -11.607 1.00 32.35 H new ATOM 0 HG3 LYS A 18 -12.775 -13.370 -10.697 1.00 32.35 H new ATOM 0 HD2 LYS A 18 -12.801 -15.830 -10.482 1.00 41.31 H new ATOM 0 HD3 LYS A 18 -14.257 -15.263 -11.275 1.00 41.31 H new ATOM 0 HE2 LYS A 18 -13.318 -15.888 -13.492 1.00 2.01 H new ATOM 0 HE3 LYS A 18 -11.826 -16.404 -12.731 1.00 2.01 H new ATOM 0 HZ1 LYS A 18 -13.268 -18.268 -13.184 1.00 61.32 H new ATOM 0 HZ2 LYS A 18 -13.063 -18.086 -11.509 1.00 61.32 H new ATOM 0 HZ3 LYS A 18 -14.508 -17.586 -12.246 1.00 61.32 H new ATOM 283 N GLU A 19 -10.364 -12.322 -14.328 1.00 14.33 N ATOM 284 CA GLU A 19 -8.911 -12.407 -14.635 1.00 24.13 C ATOM 285 C GLU A 19 -8.171 -11.073 -14.371 1.00 53.02 C ATOM 286 O GLU A 19 -6.961 -11.059 -14.099 1.00 14.02 O ATOM 287 CB GLU A 19 -8.737 -12.851 -16.116 1.00 41.01 C ATOM 288 CG GLU A 19 -9.496 -11.980 -17.146 1.00 23.51 C ATOM 289 CD GLU A 19 -9.387 -12.506 -18.585 1.00 5.03 C ATOM 290 OE1 GLU A 19 -9.925 -13.601 -18.866 1.00 11.10 O ATOM 291 OE2 GLU A 19 -8.783 -11.834 -19.442 1.00 23.14 O ATOM 0 H GLU A 19 -10.955 -12.577 -15.119 1.00 14.33 H new ATOM 0 HA GLU A 19 -8.462 -13.142 -13.968 1.00 24.13 H new ATOM 0 HB2 GLU A 19 -7.675 -12.839 -16.362 1.00 41.01 H new ATOM 0 HB3 GLU A 19 -9.075 -13.883 -16.214 1.00 41.01 H new ATOM 0 HG2 GLU A 19 -10.548 -11.930 -16.864 1.00 23.51 H new ATOM 0 HG3 GLU A 19 -9.107 -10.963 -17.108 1.00 23.51 H new ATOM 298 N ILE A 20 -8.913 -9.969 -14.484 1.00 35.21 N ATOM 299 CA ILE A 20 -8.430 -8.622 -14.180 1.00 10.52 C ATOM 300 C ILE A 20 -8.502 -8.376 -12.650 1.00 33.22 C ATOM 301 O ILE A 20 -7.537 -7.900 -12.036 1.00 12.10 O ATOM 302 CB ILE A 20 -9.294 -7.561 -14.950 1.00 50.21 C ATOM 303 CG1 ILE A 20 -9.265 -7.832 -16.495 1.00 55.13 C ATOM 304 CG2 ILE A 20 -8.851 -6.124 -14.616 1.00 45.10 C ATOM 305 CD1 ILE A 20 -10.109 -6.892 -17.341 1.00 64.21 C ATOM 0 H ILE A 20 -9.884 -9.988 -14.795 1.00 35.21 H new ATOM 0 HA ILE A 20 -7.393 -8.525 -14.502 1.00 10.52 H new ATOM 0 HB ILE A 20 -10.326 -7.663 -14.615 1.00 50.21 H new ATOM 0 HG12 ILE A 20 -8.232 -7.772 -16.837 1.00 55.13 H new ATOM 0 HG13 ILE A 20 -9.601 -8.853 -16.673 1.00 55.13 H new ATOM 0 HG21 ILE A 20 -9.470 -5.415 -15.166 1.00 45.10 H new ATOM 0 HG22 ILE A 20 -8.962 -5.948 -13.546 1.00 45.10 H new ATOM 0 HG23 ILE A 20 -7.807 -5.990 -14.899 1.00 45.10 H new ATOM 0 HD11 ILE A 20 -10.018 -7.167 -18.392 1.00 64.21 H new ATOM 0 HD12 ILE A 20 -11.153 -6.966 -17.036 1.00 64.21 H new ATOM 0 HD13 ILE A 20 -9.763 -5.868 -17.203 1.00 64.21 H new ATOM 317 N ALA A 21 -9.653 -8.754 -12.053 1.00 22.55 N ATOM 318 CA ALA A 21 -9.961 -8.521 -10.621 1.00 35.43 C ATOM 319 C ALA A 21 -9.169 -9.469 -9.679 1.00 53.25 C ATOM 320 O ALA A 21 -9.196 -9.292 -8.455 1.00 74.44 O ATOM 321 CB ALA A 21 -11.479 -8.665 -10.390 1.00 14.11 C ATOM 0 H ALA A 21 -10.402 -9.233 -12.553 1.00 22.55 H new ATOM 0 HA ALA A 21 -9.647 -7.507 -10.374 1.00 35.43 H new ATOM 0 HB1 ALA A 21 -11.705 -8.494 -9.337 1.00 14.11 H new ATOM 0 HB2 ALA A 21 -12.011 -7.934 -10.999 1.00 14.11 H new ATOM 0 HB3 ALA A 21 -11.796 -9.670 -10.670 1.00 14.11 H new ATOM 327 N CYS A 22 -8.484 -10.479 -10.262 1.00 3.11 N ATOM 328 CA CYS A 22 -7.614 -11.416 -9.519 1.00 3.45 C ATOM 329 C CYS A 22 -6.339 -10.717 -9.006 1.00 44.12 C ATOM 330 O CYS A 22 -5.784 -11.108 -7.973 1.00 45.15 O ATOM 331 CB CYS A 22 -7.239 -12.625 -10.408 1.00 1.14 C ATOM 332 SG CYS A 22 -8.640 -13.676 -10.848 1.00 32.35 S ATOM 0 H CYS A 22 -8.520 -10.667 -11.264 1.00 3.11 H new ATOM 0 HA CYS A 22 -8.173 -11.771 -8.653 1.00 3.45 H new ATOM 0 HB2 CYS A 22 -6.771 -12.259 -11.322 1.00 1.14 H new ATOM 0 HB3 CYS A 22 -6.495 -13.228 -9.888 1.00 1.14 H new ATOM 0 HG CYS A 22 -9.637 -12.933 -11.227 1.00 32.35 H new ATOM 338 N MET A 23 -5.878 -9.681 -9.741 1.00 41.45 N ATOM 339 CA MET A 23 -4.679 -8.890 -9.365 1.00 24.30 C ATOM 340 C MET A 23 -4.937 -8.104 -8.058 1.00 72.43 C ATOM 341 O MET A 23 -4.003 -7.772 -7.316 1.00 74.32 O ATOM 342 CB MET A 23 -4.269 -7.934 -10.513 1.00 72.23 C ATOM 343 CG MET A 23 -4.017 -8.633 -11.861 1.00 51.54 C ATOM 344 SD MET A 23 -3.408 -7.501 -13.131 1.00 23.24 S ATOM 345 CE MET A 23 -4.702 -6.270 -13.156 1.00 24.32 C ATOM 0 H MET A 23 -6.321 -9.369 -10.605 1.00 41.45 H new ATOM 0 HA MET A 23 -3.853 -9.580 -9.191 1.00 24.30 H new ATOM 0 HB2 MET A 23 -5.052 -7.187 -10.645 1.00 72.23 H new ATOM 0 HB3 MET A 23 -3.365 -7.400 -10.220 1.00 72.23 H new ATOM 0 HG2 MET A 23 -3.294 -9.436 -11.719 1.00 51.54 H new ATOM 0 HG3 MET A 23 -4.943 -9.094 -12.205 1.00 51.54 H new ATOM 0 HE1 MET A 23 -4.609 -5.662 -14.056 1.00 24.32 H new ATOM 0 HE2 MET A 23 -5.674 -6.764 -13.151 1.00 24.32 H new ATOM 0 HE3 MET A 23 -4.614 -5.632 -12.277 1.00 24.32 H new ATOM 355 N SER A 24 -6.227 -7.810 -7.811 1.00 73.41 N ATOM 356 CA SER A 24 -6.711 -7.325 -6.522 1.00 51.21 C ATOM 357 C SER A 24 -6.720 -8.507 -5.546 1.00 61.13 C ATOM 358 O SER A 24 -7.588 -9.377 -5.649 1.00 34.25 O ATOM 359 CB SER A 24 -8.131 -6.731 -6.673 1.00 51.01 C ATOM 360 OG SER A 24 -8.605 -6.217 -5.445 1.00 64.32 O ATOM 0 H SER A 24 -6.962 -7.906 -8.512 1.00 73.41 H new ATOM 0 HA SER A 24 -6.061 -6.536 -6.145 1.00 51.21 H new ATOM 0 HB2 SER A 24 -8.118 -5.938 -7.421 1.00 51.01 H new ATOM 0 HB3 SER A 24 -8.813 -7.500 -7.035 1.00 51.01 H new ATOM 0 HG SER A 24 -7.848 -6.053 -4.845 1.00 64.32 H new ATOM 366 N VAL A 25 -5.715 -8.556 -4.655 1.00 3.12 N ATOM 367 CA VAL A 25 -5.526 -9.665 -3.701 1.00 43.32 C ATOM 368 C VAL A 25 -6.754 -9.826 -2.787 1.00 34.34 C ATOM 369 O VAL A 25 -7.220 -10.943 -2.585 1.00 13.42 O ATOM 370 CB VAL A 25 -4.216 -9.476 -2.840 1.00 50.33 C ATOM 371 CG1 VAL A 25 -4.073 -10.556 -1.725 1.00 23.35 C ATOM 372 CG2 VAL A 25 -2.960 -9.452 -3.756 1.00 31.53 C ATOM 0 H VAL A 25 -5.008 -7.825 -4.575 1.00 3.12 H new ATOM 0 HA VAL A 25 -5.412 -10.577 -4.287 1.00 43.32 H new ATOM 0 HB VAL A 25 -4.300 -8.514 -2.334 1.00 50.33 H new ATOM 0 HG11 VAL A 25 -3.156 -10.380 -1.163 1.00 23.35 H new ATOM 0 HG12 VAL A 25 -4.928 -10.499 -1.051 1.00 23.35 H new ATOM 0 HG13 VAL A 25 -4.035 -11.546 -2.180 1.00 23.35 H new ATOM 0 HG21 VAL A 25 -2.067 -9.321 -3.145 1.00 31.53 H new ATOM 0 HG22 VAL A 25 -2.891 -10.392 -4.303 1.00 31.53 H new ATOM 0 HG23 VAL A 25 -3.041 -8.626 -4.463 1.00 31.53 H new ATOM 382 N THR A 26 -7.280 -8.699 -2.272 1.00 21.00 N ATOM 383 CA THR A 26 -8.447 -8.686 -1.372 1.00 24.20 C ATOM 384 C THR A 26 -9.703 -9.292 -2.048 1.00 55.43 C ATOM 385 O THR A 26 -10.324 -10.199 -1.487 1.00 33.32 O ATOM 386 CB THR A 26 -8.741 -7.234 -0.882 1.00 54.13 C ATOM 387 OG1 THR A 26 -7.577 -6.722 -0.205 1.00 13.15 O ATOM 388 CG2 THR A 26 -9.961 -7.143 0.058 1.00 54.15 C ATOM 0 H THR A 26 -6.907 -7.770 -2.469 1.00 21.00 H new ATOM 0 HA THR A 26 -8.204 -9.309 -0.511 1.00 24.20 H new ATOM 0 HB THR A 26 -8.978 -6.639 -1.764 1.00 54.13 H new ATOM 0 HG1 THR A 26 -7.747 -5.802 0.088 1.00 13.15 H new ATOM 0 HG21 THR A 26 -10.110 -6.107 0.362 1.00 54.15 H new ATOM 0 HG22 THR A 26 -10.849 -7.500 -0.463 1.00 54.15 H new ATOM 0 HG23 THR A 26 -9.787 -7.758 0.941 1.00 54.15 H new ATOM 396 N ILE A 27 -10.040 -8.797 -3.261 1.00 64.52 N ATOM 397 CA ILE A 27 -11.234 -9.247 -4.016 1.00 61.41 C ATOM 398 C ILE A 27 -11.100 -10.726 -4.420 1.00 5.44 C ATOM 399 O ILE A 27 -12.054 -11.499 -4.280 1.00 22.23 O ATOM 400 CB ILE A 27 -11.478 -8.348 -5.289 1.00 35.33 C ATOM 401 CG1 ILE A 27 -11.755 -6.871 -4.856 1.00 4.01 C ATOM 402 CG2 ILE A 27 -12.627 -8.893 -6.189 1.00 54.15 C ATOM 403 CD1 ILE A 27 -11.895 -5.883 -6.003 1.00 35.21 C ATOM 0 H ILE A 27 -9.497 -8.080 -3.742 1.00 64.52 H new ATOM 0 HA ILE A 27 -12.098 -9.144 -3.360 1.00 61.41 H new ATOM 0 HB ILE A 27 -10.571 -8.377 -5.893 1.00 35.33 H new ATOM 0 HG12 ILE A 27 -12.668 -6.847 -4.262 1.00 4.01 H new ATOM 0 HG13 ILE A 27 -10.944 -6.540 -4.207 1.00 4.01 H new ATOM 0 HG21 ILE A 27 -12.755 -8.239 -7.051 1.00 54.15 H new ATOM 0 HG22 ILE A 27 -12.377 -9.898 -6.530 1.00 54.15 H new ATOM 0 HG23 ILE A 27 -13.554 -8.924 -5.616 1.00 54.15 H new ATOM 0 HD11 ILE A 27 -12.085 -4.887 -5.604 1.00 35.21 H new ATOM 0 HD12 ILE A 27 -10.975 -5.870 -6.587 1.00 35.21 H new ATOM 0 HD13 ILE A 27 -12.726 -6.183 -6.642 1.00 35.21 H new ATOM 415 N LYS A 28 -9.897 -11.099 -4.894 1.00 71.45 N ATOM 416 CA LYS A 28 -9.568 -12.481 -5.289 1.00 52.50 C ATOM 417 C LYS A 28 -9.775 -13.439 -4.097 1.00 51.31 C ATOM 418 O LYS A 28 -10.444 -14.460 -4.231 1.00 24.14 O ATOM 419 CB LYS A 28 -8.100 -12.559 -5.783 1.00 11.30 C ATOM 420 CG LYS A 28 -7.650 -13.953 -6.289 1.00 32.52 C ATOM 421 CD LYS A 28 -6.140 -14.027 -6.616 1.00 12.44 C ATOM 422 CE LYS A 28 -5.240 -13.732 -5.394 1.00 51.01 C ATOM 423 NZ LYS A 28 -5.444 -14.712 -4.292 1.00 44.20 N ATOM 0 H LYS A 28 -9.122 -10.447 -5.014 1.00 71.45 H new ATOM 0 HA LYS A 28 -10.231 -12.780 -6.101 1.00 52.50 H new ATOM 0 HB2 LYS A 28 -7.965 -11.836 -6.588 1.00 11.30 H new ATOM 0 HB3 LYS A 28 -7.442 -12.256 -4.969 1.00 11.30 H new ATOM 0 HG2 LYS A 28 -7.888 -14.701 -5.532 1.00 32.52 H new ATOM 0 HG3 LYS A 28 -8.221 -14.210 -7.181 1.00 32.52 H new ATOM 0 HD2 LYS A 28 -5.906 -15.019 -7.001 1.00 12.44 H new ATOM 0 HD3 LYS A 28 -5.911 -13.315 -7.409 1.00 12.44 H new ATOM 0 HE2 LYS A 28 -4.195 -13.749 -5.703 1.00 51.01 H new ATOM 0 HE3 LYS A 28 -5.448 -12.727 -5.027 1.00 51.01 H new ATOM 0 HZ1 LYS A 28 -5.714 -14.207 -3.424 1.00 44.20 H new ATOM 0 HZ2 LYS A 28 -6.199 -15.377 -4.554 1.00 44.20 H new ATOM 0 HZ3 LYS A 28 -4.562 -15.238 -4.127 1.00 44.20 H new ATOM 437 N ASN A 29 -9.228 -13.049 -2.927 1.00 25.31 N ATOM 438 CA ASN A 29 -9.318 -13.832 -1.675 1.00 21.32 C ATOM 439 C ASN A 29 -10.772 -13.948 -1.188 1.00 64.21 C ATOM 440 O ASN A 29 -11.133 -14.961 -0.598 1.00 52.34 O ATOM 441 CB ASN A 29 -8.409 -13.223 -0.561 1.00 50.43 C ATOM 442 CG ASN A 29 -6.906 -13.471 -0.784 1.00 51.24 C ATOM 443 OD1 ASN A 29 -6.442 -13.650 -1.912 1.00 75.41 O ATOM 444 ND2 ASN A 29 -6.134 -13.469 0.294 1.00 25.41 N ATOM 0 H ASN A 29 -8.708 -12.177 -2.823 1.00 25.31 H new ATOM 0 HA ASN A 29 -8.958 -14.837 -1.894 1.00 21.32 H new ATOM 0 HB2 ASN A 29 -8.587 -12.149 -0.506 1.00 50.43 H new ATOM 0 HB3 ASN A 29 -8.699 -13.643 0.402 1.00 50.43 H new ATOM 0 HD21 ASN A 29 -5.129 -13.618 0.202 1.00 25.41 H new ATOM 0 HD22 ASN A 29 -6.545 -13.318 1.215 1.00 25.41 H new ATOM 451 N MET A 30 -11.595 -12.899 -1.443 1.00 54.43 N ATOM 452 CA MET A 30 -13.038 -12.907 -1.107 1.00 41.32 C ATOM 453 C MET A 30 -13.792 -13.935 -1.970 1.00 43.21 C ATOM 454 O MET A 30 -14.619 -14.693 -1.452 1.00 35.52 O ATOM 455 CB MET A 30 -13.672 -11.492 -1.264 1.00 70.15 C ATOM 456 CG MET A 30 -13.266 -10.486 -0.179 1.00 51.04 C ATOM 457 SD MET A 30 -14.047 -8.871 -0.403 1.00 51.31 S ATOM 458 CE MET A 30 -13.527 -8.000 1.076 1.00 4.34 C ATOM 0 H MET A 30 -11.280 -12.034 -1.882 1.00 54.43 H new ATOM 0 HA MET A 30 -13.129 -13.197 -0.060 1.00 41.32 H new ATOM 0 HB2 MET A 30 -13.392 -11.089 -2.237 1.00 70.15 H new ATOM 0 HB3 MET A 30 -14.757 -11.592 -1.260 1.00 70.15 H new ATOM 0 HG2 MET A 30 -13.536 -10.884 0.799 1.00 51.04 H new ATOM 0 HG3 MET A 30 -12.183 -10.366 -0.187 1.00 51.04 H new ATOM 0 HE1 MET A 30 -13.832 -6.956 1.009 1.00 4.34 H new ATOM 0 HE2 MET A 30 -13.990 -8.458 1.950 1.00 4.34 H new ATOM 0 HE3 MET A 30 -12.442 -8.056 1.169 1.00 4.34 H new ATOM 468 N ILE A 31 -13.470 -13.964 -3.281 1.00 23.21 N ATOM 469 CA ILE A 31 -14.068 -14.912 -4.248 1.00 12.30 C ATOM 470 C ILE A 31 -13.714 -16.358 -3.853 1.00 32.22 C ATOM 471 O ILE A 31 -14.581 -17.231 -3.836 1.00 4.12 O ATOM 472 CB ILE A 31 -13.584 -14.611 -5.725 1.00 22.24 C ATOM 473 CG1 ILE A 31 -14.024 -13.174 -6.165 1.00 61.15 C ATOM 474 CG2 ILE A 31 -14.089 -15.681 -6.737 1.00 13.03 C ATOM 475 CD1 ILE A 31 -13.498 -12.724 -7.525 1.00 24.21 C ATOM 0 H ILE A 31 -12.788 -13.331 -3.700 1.00 23.21 H new ATOM 0 HA ILE A 31 -15.151 -14.787 -4.221 1.00 12.30 H new ATOM 0 HB ILE A 31 -12.495 -14.659 -5.727 1.00 22.24 H new ATOM 0 HG12 ILE A 31 -15.113 -13.134 -6.183 1.00 61.15 H new ATOM 0 HG13 ILE A 31 -13.691 -12.462 -5.410 1.00 61.15 H new ATOM 0 HG21 ILE A 31 -13.732 -15.433 -7.737 1.00 13.03 H new ATOM 0 HG22 ILE A 31 -13.710 -16.662 -6.449 1.00 13.03 H new ATOM 0 HG23 ILE A 31 -15.179 -15.698 -6.734 1.00 13.03 H new ATOM 0 HD11 ILE A 31 -13.857 -11.717 -7.739 1.00 24.21 H new ATOM 0 HD12 ILE A 31 -12.408 -12.725 -7.512 1.00 24.21 H new ATOM 0 HD13 ILE A 31 -13.852 -13.408 -8.297 1.00 24.21 H new ATOM 487 N GLU A 32 -12.433 -16.569 -3.495 1.00 14.32 N ATOM 488 CA GLU A 32 -11.887 -17.894 -3.139 1.00 0.13 C ATOM 489 C GLU A 32 -12.335 -18.337 -1.730 1.00 43.11 C ATOM 490 O GLU A 32 -12.391 -19.540 -1.451 1.00 62.10 O ATOM 491 CB GLU A 32 -10.339 -17.873 -3.240 1.00 32.25 C ATOM 492 CG GLU A 32 -9.806 -17.528 -4.646 1.00 44.31 C ATOM 493 CD GLU A 32 -8.272 -17.499 -4.722 1.00 0.30 C ATOM 494 OE1 GLU A 32 -7.672 -18.421 -5.321 1.00 22.32 O ATOM 495 OE2 GLU A 32 -7.656 -16.563 -4.160 1.00 11.30 O ATOM 0 H GLU A 32 -11.743 -15.820 -3.444 1.00 14.32 H new ATOM 0 HA GLU A 32 -12.281 -18.622 -3.847 1.00 0.13 H new ATOM 0 HB2 GLU A 32 -9.949 -17.147 -2.527 1.00 32.25 H new ATOM 0 HB3 GLU A 32 -9.953 -18.849 -2.946 1.00 32.25 H new ATOM 0 HG2 GLU A 32 -10.185 -18.259 -5.360 1.00 44.31 H new ATOM 0 HG3 GLU A 32 -10.197 -16.556 -4.947 1.00 44.31 H new ATOM 502 N ASP A 33 -12.662 -17.358 -0.858 1.00 62.20 N ATOM 503 CA ASP A 33 -13.186 -17.612 0.511 1.00 22.21 C ATOM 504 C ASP A 33 -14.615 -18.173 0.430 1.00 61.42 C ATOM 505 O ASP A 33 -14.987 -19.085 1.180 1.00 31.25 O ATOM 506 CB ASP A 33 -13.151 -16.295 1.342 1.00 62.22 C ATOM 507 CG ASP A 33 -13.755 -16.418 2.755 1.00 71.43 C ATOM 508 OD1 ASP A 33 -14.813 -15.809 3.021 1.00 71.04 O ATOM 509 OD2 ASP A 33 -13.169 -17.126 3.603 1.00 22.34 O ATOM 0 H ASP A 33 -12.572 -16.367 -1.080 1.00 62.20 H new ATOM 0 HA ASP A 33 -12.557 -18.350 1.009 1.00 22.21 H new ATOM 0 HB2 ASP A 33 -12.117 -15.962 1.430 1.00 62.22 H new ATOM 0 HB3 ASP A 33 -13.690 -15.521 0.796 1.00 62.22 H new ATOM 514 N ILE A 34 -15.402 -17.602 -0.498 1.00 33.14 N ATOM 515 CA ILE A 34 -16.750 -18.100 -0.841 1.00 24.54 C ATOM 516 C ILE A 34 -16.632 -19.371 -1.717 1.00 61.22 C ATOM 517 O ILE A 34 -17.515 -20.232 -1.712 1.00 74.10 O ATOM 518 CB ILE A 34 -17.577 -16.988 -1.602 1.00 31.02 C ATOM 519 CG1 ILE A 34 -17.617 -15.661 -0.770 1.00 31.13 C ATOM 520 CG2 ILE A 34 -19.013 -17.478 -1.938 1.00 54.43 C ATOM 521 CD1 ILE A 34 -18.293 -14.484 -1.468 1.00 42.12 C ATOM 0 H ILE A 34 -15.123 -16.780 -1.034 1.00 33.14 H new ATOM 0 HA ILE A 34 -17.276 -18.348 0.081 1.00 24.54 H new ATOM 0 HB ILE A 34 -17.071 -16.784 -2.546 1.00 31.02 H new ATOM 0 HG12 ILE A 34 -18.135 -15.854 0.169 1.00 31.13 H new ATOM 0 HG13 ILE A 34 -16.595 -15.377 -0.518 1.00 31.13 H new ATOM 0 HG21 ILE A 34 -19.554 -16.689 -2.461 1.00 54.43 H new ATOM 0 HG22 ILE A 34 -18.956 -18.362 -2.574 1.00 54.43 H new ATOM 0 HG23 ILE A 34 -19.537 -17.727 -1.016 1.00 54.43 H new ATOM 0 HD11 ILE A 34 -18.272 -13.612 -0.814 1.00 42.12 H new ATOM 0 HD12 ILE A 34 -17.764 -14.257 -2.393 1.00 42.12 H new ATOM 0 HD13 ILE A 34 -19.327 -14.741 -1.696 1.00 42.12 H new ATOM 533 N GLY A 35 -15.505 -19.475 -2.446 1.00 43.14 N ATOM 534 CA GLY A 35 -15.278 -20.536 -3.424 1.00 52.54 C ATOM 535 C GLY A 35 -15.656 -20.049 -4.820 1.00 51.34 C ATOM 536 O GLY A 35 -14.784 -19.698 -5.625 1.00 43.24 O ATOM 0 H GLY A 35 -14.728 -18.819 -2.367 1.00 43.14 H new ATOM 0 HA2 GLY A 35 -14.231 -20.840 -3.407 1.00 52.54 H new ATOM 0 HA3 GLY A 35 -15.869 -21.414 -3.164 1.00 52.54 H new ATOM 540 N GLU A 36 -16.979 -19.989 -5.075 1.00 60.22 N ATOM 541 CA GLU A 36 -17.570 -19.434 -6.310 1.00 55.01 C ATOM 542 C GLU A 36 -18.788 -18.570 -5.920 1.00 14.25 C ATOM 543 O GLU A 36 -19.573 -18.971 -5.056 1.00 60.15 O ATOM 544 CB GLU A 36 -17.988 -20.573 -7.291 1.00 52.22 C ATOM 545 CG GLU A 36 -16.816 -21.422 -7.828 1.00 40.33 C ATOM 546 CD GLU A 36 -17.266 -22.520 -8.810 1.00 42.33 C ATOM 547 OE1 GLU A 36 -17.233 -22.291 -10.040 1.00 3.40 O ATOM 548 OE2 GLU A 36 -17.684 -23.612 -8.361 1.00 54.51 O ATOM 0 H GLU A 36 -17.679 -20.331 -4.417 1.00 60.22 H new ATOM 0 HA GLU A 36 -16.832 -18.821 -6.827 1.00 55.01 H new ATOM 0 HB2 GLU A 36 -18.693 -21.231 -6.783 1.00 52.22 H new ATOM 0 HB3 GLU A 36 -18.516 -20.131 -8.136 1.00 52.22 H new ATOM 0 HG2 GLU A 36 -16.100 -20.768 -8.326 1.00 40.33 H new ATOM 0 HG3 GLU A 36 -16.296 -21.884 -6.989 1.00 40.33 H new ATOM 555 N SER A 37 -18.933 -17.388 -6.558 1.00 61.00 N ATOM 556 CA SER A 37 -20.009 -16.422 -6.245 1.00 34.12 C ATOM 557 C SER A 37 -20.395 -15.623 -7.505 1.00 55.40 C ATOM 558 O SER A 37 -19.628 -14.766 -7.969 1.00 31.33 O ATOM 559 CB SER A 37 -19.555 -15.466 -5.114 1.00 75.43 C ATOM 560 OG SER A 37 -20.576 -14.546 -4.764 1.00 32.34 O ATOM 0 H SER A 37 -18.309 -17.077 -7.303 1.00 61.00 H new ATOM 0 HA SER A 37 -20.886 -16.972 -5.904 1.00 34.12 H new ATOM 0 HB2 SER A 37 -19.273 -16.048 -4.237 1.00 75.43 H new ATOM 0 HB3 SER A 37 -18.667 -14.920 -5.433 1.00 75.43 H new ATOM 0 HG SER A 37 -20.256 -13.960 -4.047 1.00 32.34 H new ATOM 566 N ASP A 38 -21.578 -15.924 -8.070 1.00 21.45 N ATOM 567 CA ASP A 38 -22.146 -15.184 -9.217 1.00 41.14 C ATOM 568 C ASP A 38 -22.882 -13.924 -8.727 1.00 61.43 C ATOM 569 O ASP A 38 -23.097 -12.979 -9.501 1.00 41.23 O ATOM 570 CB ASP A 38 -23.105 -16.088 -10.043 1.00 23.22 C ATOM 571 CG ASP A 38 -24.369 -16.526 -9.272 1.00 10.15 C ATOM 572 OD1 ASP A 38 -25.482 -16.067 -9.597 1.00 63.12 O ATOM 573 OD2 ASP A 38 -24.247 -17.344 -8.338 1.00 0.41 O ATOM 0 H ASP A 38 -22.170 -16.688 -7.745 1.00 21.45 H new ATOM 0 HA ASP A 38 -21.326 -14.880 -9.867 1.00 41.14 H new ATOM 0 HB2 ASP A 38 -23.407 -15.553 -10.943 1.00 23.22 H new ATOM 0 HB3 ASP A 38 -22.563 -16.976 -10.367 1.00 23.22 H new ATOM 578 N SER A 39 -23.261 -13.928 -7.428 1.00 0.43 N ATOM 579 CA SER A 39 -23.891 -12.779 -6.767 1.00 31.21 C ATOM 580 C SER A 39 -22.901 -11.593 -6.698 1.00 65.42 C ATOM 581 O SER A 39 -21.704 -11.819 -6.457 1.00 11.23 O ATOM 582 CB SER A 39 -24.372 -13.188 -5.351 1.00 24.43 C ATOM 583 OG SER A 39 -23.318 -13.740 -4.573 1.00 24.31 O ATOM 0 H SER A 39 -23.135 -14.733 -6.814 1.00 0.43 H new ATOM 0 HA SER A 39 -24.757 -12.460 -7.346 1.00 31.21 H new ATOM 0 HB2 SER A 39 -24.782 -12.316 -4.841 1.00 24.43 H new ATOM 0 HB3 SER A 39 -25.179 -13.916 -5.438 1.00 24.43 H new ATOM 0 HG SER A 39 -22.491 -13.746 -5.100 1.00 24.31 H new ATOM 589 N PRO A 40 -23.373 -10.317 -6.931 1.00 51.42 N ATOM 590 CA PRO A 40 -22.495 -9.116 -6.918 1.00 32.43 C ATOM 591 C PRO A 40 -21.752 -8.948 -5.575 1.00 2.24 C ATOM 592 O PRO A 40 -22.359 -9.081 -4.502 1.00 0.41 O ATOM 593 CB PRO A 40 -23.478 -7.939 -7.189 1.00 32.42 C ATOM 594 CG PRO A 40 -24.835 -8.487 -6.844 1.00 41.30 C ATOM 595 CD PRO A 40 -24.786 -9.949 -7.225 1.00 22.31 C ATOM 0 HA PRO A 40 -21.697 -9.178 -7.658 1.00 32.43 H new ATOM 0 HB2 PRO A 40 -23.234 -7.071 -6.577 1.00 32.42 H new ATOM 0 HB3 PRO A 40 -23.434 -7.618 -8.230 1.00 32.42 H new ATOM 0 HG2 PRO A 40 -25.050 -8.365 -5.782 1.00 41.30 H new ATOM 0 HG3 PRO A 40 -25.620 -7.965 -7.390 1.00 41.30 H new ATOM 0 HD2 PRO A 40 -25.489 -10.543 -6.641 1.00 22.31 H new ATOM 0 HD3 PRO A 40 -25.034 -10.102 -8.275 1.00 22.31 H new ATOM 603 N ILE A 41 -20.433 -8.693 -5.665 1.00 44.34 N ATOM 604 CA ILE A 41 -19.570 -8.427 -4.499 1.00 75.21 C ATOM 605 C ILE A 41 -19.626 -6.904 -4.194 1.00 54.14 C ATOM 606 O ILE A 41 -19.100 -6.109 -4.983 1.00 24.31 O ATOM 607 CB ILE A 41 -18.051 -8.873 -4.727 1.00 3.42 C ATOM 608 CG1 ILE A 41 -17.918 -10.415 -5.043 1.00 2.14 C ATOM 609 CG2 ILE A 41 -17.160 -8.480 -3.504 1.00 2.15 C ATOM 610 CD1 ILE A 41 -18.322 -10.842 -6.453 1.00 75.20 C ATOM 0 H ILE A 41 -19.934 -8.666 -6.554 1.00 44.34 H new ATOM 0 HA ILE A 41 -19.943 -9.018 -3.663 1.00 75.21 H new ATOM 0 HB ILE A 41 -17.693 -8.333 -5.604 1.00 3.42 H new ATOM 0 HG12 ILE A 41 -16.883 -10.713 -4.876 1.00 2.14 H new ATOM 0 HG13 ILE A 41 -18.528 -10.967 -4.328 1.00 2.14 H new ATOM 0 HG21 ILE A 41 -16.133 -8.795 -3.686 1.00 2.15 H new ATOM 0 HG22 ILE A 41 -17.189 -7.399 -3.365 1.00 2.15 H new ATOM 0 HG23 ILE A 41 -17.537 -8.971 -2.607 1.00 2.15 H new ATOM 0 HD11 ILE A 41 -18.191 -11.919 -6.559 1.00 75.20 H new ATOM 0 HD12 ILE A 41 -19.367 -10.585 -6.626 1.00 75.20 H new ATOM 0 HD13 ILE A 41 -17.697 -10.327 -7.182 1.00 75.20 H new ATOM 622 N PRO A 42 -20.320 -6.471 -3.089 1.00 12.31 N ATOM 623 CA PRO A 42 -20.379 -5.051 -2.690 1.00 41.23 C ATOM 624 C PRO A 42 -19.227 -4.670 -1.725 1.00 45.41 C ATOM 625 O PRO A 42 -19.057 -5.285 -0.663 1.00 73.34 O ATOM 626 CB PRO A 42 -21.772 -4.953 -2.019 1.00 54.33 C ATOM 627 CG PRO A 42 -22.046 -6.328 -1.437 1.00 15.13 C ATOM 628 CD PRO A 42 -21.103 -7.315 -2.139 1.00 25.51 C ATOM 0 HA PRO A 42 -20.256 -4.359 -3.523 1.00 41.23 H new ATOM 0 HB2 PRO A 42 -21.779 -4.190 -1.241 1.00 54.33 H new ATOM 0 HB3 PRO A 42 -22.537 -4.675 -2.744 1.00 54.33 H new ATOM 0 HG2 PRO A 42 -21.874 -6.331 -0.361 1.00 15.13 H new ATOM 0 HG3 PRO A 42 -23.087 -6.612 -1.595 1.00 15.13 H new ATOM 0 HD2 PRO A 42 -20.451 -7.818 -1.425 1.00 25.51 H new ATOM 0 HD3 PRO A 42 -21.660 -8.091 -2.664 1.00 25.51 H new ATOM 636 N LEU A 43 -18.424 -3.670 -2.132 1.00 24.41 N ATOM 637 CA LEU A 43 -17.342 -3.103 -1.312 1.00 32.03 C ATOM 638 C LEU A 43 -17.854 -1.799 -0.653 1.00 61.44 C ATOM 639 O LEU A 43 -17.929 -0.760 -1.324 1.00 71.50 O ATOM 640 CB LEU A 43 -16.062 -2.829 -2.173 1.00 3.12 C ATOM 641 CG LEU A 43 -15.336 -4.067 -2.828 1.00 13.20 C ATOM 642 CD1 LEU A 43 -15.030 -5.168 -1.791 1.00 62.53 C ATOM 643 CD2 LEU A 43 -16.106 -4.620 -4.053 1.00 14.24 C ATOM 0 H LEU A 43 -18.510 -3.230 -3.048 1.00 24.41 H new ATOM 0 HA LEU A 43 -17.060 -3.819 -0.540 1.00 32.03 H new ATOM 0 HB2 LEU A 43 -16.337 -2.141 -2.972 1.00 3.12 H new ATOM 0 HB3 LEU A 43 -15.339 -2.312 -1.542 1.00 3.12 H new ATOM 0 HG LEU A 43 -14.378 -3.706 -3.202 1.00 13.20 H new ATOM 0 HD11 LEU A 43 -14.530 -6.002 -2.283 1.00 62.53 H new ATOM 0 HD12 LEU A 43 -14.382 -4.765 -1.013 1.00 62.53 H new ATOM 0 HD13 LEU A 43 -15.961 -5.516 -1.344 1.00 62.53 H new ATOM 0 HD21 LEU A 43 -15.566 -5.471 -4.468 1.00 14.24 H new ATOM 0 HD22 LEU A 43 -17.102 -4.938 -3.744 1.00 14.24 H new ATOM 0 HD23 LEU A 43 -16.193 -3.841 -4.810 1.00 14.24 H new ATOM 655 N PRO A 44 -18.249 -1.832 0.670 1.00 34.21 N ATOM 656 CA PRO A 44 -18.844 -0.663 1.369 1.00 14.33 C ATOM 657 C PRO A 44 -17.770 0.315 1.919 1.00 1.52 C ATOM 658 O PRO A 44 -17.826 0.744 3.076 1.00 14.05 O ATOM 659 CB PRO A 44 -19.661 -1.353 2.492 1.00 50.12 C ATOM 660 CG PRO A 44 -18.868 -2.577 2.857 1.00 15.02 C ATOM 661 CD PRO A 44 -18.151 -3.016 1.583 1.00 1.02 C ATOM 0 HA PRO A 44 -19.445 -0.023 0.723 1.00 14.33 H new ATOM 0 HB2 PRO A 44 -19.786 -0.694 3.351 1.00 50.12 H new ATOM 0 HB3 PRO A 44 -20.660 -1.619 2.146 1.00 50.12 H new ATOM 0 HG2 PRO A 44 -18.153 -2.356 3.649 1.00 15.02 H new ATOM 0 HG3 PRO A 44 -19.521 -3.367 3.228 1.00 15.02 H new ATOM 0 HD2 PRO A 44 -17.112 -3.278 1.783 1.00 1.02 H new ATOM 0 HD3 PRO A 44 -18.623 -3.895 1.145 1.00 1.02 H new ATOM 669 N ASN A 45 -16.829 0.703 1.038 1.00 34.12 N ATOM 670 CA ASN A 45 -15.700 1.588 1.379 1.00 31.55 C ATOM 671 C ASN A 45 -15.325 2.430 0.155 1.00 72.00 C ATOM 672 O ASN A 45 -15.315 3.667 0.221 1.00 15.43 O ATOM 673 CB ASN A 45 -14.490 0.749 1.867 1.00 53.55 C ATOM 674 CG ASN A 45 -13.236 1.575 2.180 1.00 71.43 C ATOM 675 OD1 ASN A 45 -12.373 1.775 1.321 1.00 3.41 O ATOM 676 ND2 ASN A 45 -13.131 2.066 3.404 1.00 42.32 N ATOM 0 H ASN A 45 -16.831 0.408 0.061 1.00 34.12 H new ATOM 0 HA ASN A 45 -15.993 2.257 2.188 1.00 31.55 H new ATOM 0 HB2 ASN A 45 -14.781 0.199 2.762 1.00 53.55 H new ATOM 0 HB3 ASN A 45 -14.244 0.010 1.104 1.00 53.55 H new ATOM 0 HD21 ASN A 45 -12.319 2.628 3.660 1.00 42.32 H new ATOM 0 HD22 ASN A 45 -13.862 1.883 4.091 1.00 42.32 H new ATOM 683 N VAL A 46 -15.016 1.742 -0.962 1.00 1.14 N ATOM 684 CA VAL A 46 -14.623 2.400 -2.216 1.00 70.53 C ATOM 685 C VAL A 46 -15.884 2.889 -2.980 1.00 1.24 C ATOM 686 O VAL A 46 -16.785 2.098 -3.289 1.00 63.54 O ATOM 687 CB VAL A 46 -13.714 1.460 -3.112 1.00 44.25 C ATOM 688 CG1 VAL A 46 -14.421 0.136 -3.495 1.00 62.31 C ATOM 689 CG2 VAL A 46 -13.199 2.209 -4.364 1.00 3.12 C ATOM 0 H VAL A 46 -15.033 0.724 -1.017 1.00 1.14 H new ATOM 0 HA VAL A 46 -14.016 3.272 -1.971 1.00 70.53 H new ATOM 0 HB VAL A 46 -12.852 1.185 -2.504 1.00 44.25 H new ATOM 0 HG11 VAL A 46 -13.753 -0.469 -4.108 1.00 62.31 H new ATOM 0 HG12 VAL A 46 -14.680 -0.413 -2.590 1.00 62.31 H new ATOM 0 HG13 VAL A 46 -15.328 0.357 -4.057 1.00 62.31 H new ATOM 0 HG21 VAL A 46 -12.578 1.539 -4.959 1.00 3.12 H new ATOM 0 HG22 VAL A 46 -14.047 2.545 -4.961 1.00 3.12 H new ATOM 0 HG23 VAL A 46 -12.609 3.071 -4.055 1.00 3.12 H new ATOM 699 N THR A 47 -15.954 4.212 -3.237 1.00 32.43 N ATOM 700 CA THR A 47 -17.090 4.845 -3.947 1.00 21.00 C ATOM 701 C THR A 47 -17.020 4.546 -5.452 1.00 21.42 C ATOM 702 O THR A 47 -16.020 4.016 -5.925 1.00 14.02 O ATOM 703 CB THR A 47 -17.105 6.389 -3.708 1.00 73.42 C ATOM 704 OG1 THR A 47 -15.907 6.978 -4.245 1.00 41.43 O ATOM 705 CG2 THR A 47 -17.229 6.727 -2.209 1.00 54.42 C ATOM 0 H THR A 47 -15.227 4.872 -2.960 1.00 32.43 H new ATOM 0 HA THR A 47 -18.013 4.424 -3.547 1.00 21.00 H new ATOM 0 HB THR A 47 -17.976 6.800 -4.218 1.00 73.42 H new ATOM 0 HG1 THR A 47 -15.922 7.946 -4.094 1.00 41.43 H new ATOM 0 HG21 THR A 47 -17.236 7.809 -2.079 1.00 54.42 H new ATOM 0 HG22 THR A 47 -18.156 6.308 -1.817 1.00 54.42 H new ATOM 0 HG23 THR A 47 -16.382 6.303 -1.669 1.00 54.42 H new ATOM 713 N SER A 48 -18.086 4.900 -6.190 1.00 3.11 N ATOM 714 CA SER A 48 -18.200 4.616 -7.634 1.00 10.31 C ATOM 715 C SER A 48 -17.152 5.392 -8.443 1.00 20.04 C ATOM 716 O SER A 48 -16.549 4.849 -9.370 1.00 25.02 O ATOM 717 CB SER A 48 -19.617 4.968 -8.120 1.00 74.12 C ATOM 718 OG SER A 48 -19.926 6.324 -7.863 1.00 14.03 O ATOM 0 H SER A 48 -18.893 5.391 -5.804 1.00 3.11 H new ATOM 0 HA SER A 48 -18.016 3.553 -7.789 1.00 10.31 H new ATOM 0 HB2 SER A 48 -19.697 4.771 -9.189 1.00 74.12 H new ATOM 0 HB3 SER A 48 -20.344 4.326 -7.623 1.00 74.12 H new ATOM 0 HG SER A 48 -20.867 6.401 -7.602 1.00 14.03 H new ATOM 724 N THR A 49 -16.955 6.666 -8.062 1.00 53.24 N ATOM 725 CA THR A 49 -15.994 7.581 -8.693 1.00 35.02 C ATOM 726 C THR A 49 -14.563 7.015 -8.629 1.00 32.02 C ATOM 727 O THR A 49 -13.809 7.072 -9.611 1.00 4.12 O ATOM 728 CB THR A 49 -16.057 8.988 -8.000 1.00 62.53 C ATOM 729 OG1 THR A 49 -17.408 9.470 -8.038 1.00 5.44 O ATOM 730 CG2 THR A 49 -15.130 10.035 -8.663 1.00 2.44 C ATOM 0 H THR A 49 -17.470 7.094 -7.293 1.00 53.24 H new ATOM 0 HA THR A 49 -16.264 7.689 -9.743 1.00 35.02 H new ATOM 0 HB THR A 49 -15.711 8.855 -6.975 1.00 62.53 H new ATOM 0 HG1 THR A 49 -17.454 10.348 -7.605 1.00 5.44 H new ATOM 0 HG21 THR A 49 -15.220 10.986 -8.137 1.00 2.44 H new ATOM 0 HG22 THR A 49 -14.097 9.690 -8.614 1.00 2.44 H new ATOM 0 HG23 THR A 49 -15.419 10.168 -9.706 1.00 2.44 H new ATOM 738 N ILE A 50 -14.219 6.443 -7.468 1.00 43.55 N ATOM 739 CA ILE A 50 -12.874 5.915 -7.201 1.00 14.14 C ATOM 740 C ILE A 50 -12.707 4.520 -7.828 1.00 42.43 C ATOM 741 O ILE A 50 -11.716 4.277 -8.514 1.00 60.13 O ATOM 742 CB ILE A 50 -12.583 5.904 -5.654 1.00 44.32 C ATOM 743 CG1 ILE A 50 -12.761 7.345 -5.064 1.00 71.21 C ATOM 744 CG2 ILE A 50 -11.172 5.340 -5.330 1.00 61.11 C ATOM 745 CD1 ILE A 50 -11.928 8.430 -5.737 1.00 1.20 C ATOM 0 H ILE A 50 -14.865 6.333 -6.687 1.00 43.55 H new ATOM 0 HA ILE A 50 -12.138 6.571 -7.667 1.00 14.14 H new ATOM 0 HB ILE A 50 -13.305 5.237 -5.183 1.00 44.32 H new ATOM 0 HG12 ILE A 50 -13.813 7.621 -5.134 1.00 71.21 H new ATOM 0 HG13 ILE A 50 -12.508 7.320 -4.004 1.00 71.21 H new ATOM 0 HG21 ILE A 50 -11.015 5.351 -4.251 1.00 61.11 H new ATOM 0 HG22 ILE A 50 -11.096 4.317 -5.697 1.00 61.11 H new ATOM 0 HG23 ILE A 50 -10.414 5.956 -5.814 1.00 61.11 H new ATOM 0 HD11 ILE A 50 -12.123 9.389 -5.256 1.00 1.20 H new ATOM 0 HD12 ILE A 50 -10.870 8.186 -5.645 1.00 1.20 H new ATOM 0 HD13 ILE A 50 -12.195 8.492 -6.792 1.00 1.20 H new ATOM 757 N LEU A 51 -13.716 3.644 -7.628 1.00 12.20 N ATOM 758 CA LEU A 51 -13.719 2.246 -8.133 1.00 1.32 C ATOM 759 C LEU A 51 -13.672 2.213 -9.673 1.00 25.21 C ATOM 760 O LEU A 51 -13.134 1.273 -10.266 1.00 70.12 O ATOM 761 CB LEU A 51 -14.961 1.465 -7.607 1.00 53.32 C ATOM 762 CG LEU A 51 -14.978 -0.081 -7.890 1.00 1.20 C ATOM 763 CD1 LEU A 51 -13.754 -0.790 -7.268 1.00 22.34 C ATOM 764 CD2 LEU A 51 -16.296 -0.735 -7.420 1.00 71.44 C ATOM 0 H LEU A 51 -14.560 3.885 -7.108 1.00 12.20 H new ATOM 0 HA LEU A 51 -12.822 1.755 -7.755 1.00 1.32 H new ATOM 0 HB2 LEU A 51 -15.031 1.617 -6.530 1.00 53.32 H new ATOM 0 HB3 LEU A 51 -15.855 1.904 -8.050 1.00 53.32 H new ATOM 0 HG LEU A 51 -14.917 -0.205 -8.971 1.00 1.20 H new ATOM 0 HD11 LEU A 51 -13.802 -1.857 -7.486 1.00 22.34 H new ATOM 0 HD12 LEU A 51 -12.839 -0.374 -7.691 1.00 22.34 H new ATOM 0 HD13 LEU A 51 -13.756 -0.639 -6.188 1.00 22.34 H new ATOM 0 HD21 LEU A 51 -16.268 -1.804 -7.633 1.00 71.44 H new ATOM 0 HD22 LEU A 51 -16.416 -0.582 -6.347 1.00 71.44 H new ATOM 0 HD23 LEU A 51 -17.135 -0.281 -7.947 1.00 71.44 H new ATOM 776 N GLU A 52 -14.241 3.269 -10.292 1.00 31.32 N ATOM 777 CA GLU A 52 -14.153 3.523 -11.744 1.00 33.25 C ATOM 778 C GLU A 52 -12.685 3.483 -12.202 1.00 54.54 C ATOM 779 O GLU A 52 -12.332 2.734 -13.110 1.00 4.23 O ATOM 780 CB GLU A 52 -14.754 4.920 -12.060 1.00 2.11 C ATOM 781 CG GLU A 52 -14.764 5.323 -13.553 1.00 62.11 C ATOM 782 CD GLU A 52 -15.065 6.819 -13.769 1.00 32.15 C ATOM 783 OE1 GLU A 52 -14.114 7.607 -13.980 1.00 43.24 O ATOM 784 OE2 GLU A 52 -16.251 7.219 -13.707 1.00 73.33 O ATOM 0 H GLU A 52 -14.780 3.976 -9.792 1.00 31.32 H new ATOM 0 HA GLU A 52 -14.711 2.752 -12.274 1.00 33.25 H new ATOM 0 HB2 GLU A 52 -15.778 4.947 -11.688 1.00 2.11 H new ATOM 0 HB3 GLU A 52 -14.193 5.671 -11.504 1.00 2.11 H new ATOM 0 HG2 GLU A 52 -13.796 5.085 -13.995 1.00 62.11 H new ATOM 0 HG3 GLU A 52 -15.510 4.728 -14.080 1.00 62.11 H new ATOM 791 N LYS A 53 -11.839 4.271 -11.505 1.00 32.41 N ATOM 792 CA LYS A 53 -10.403 4.422 -11.814 1.00 1.12 C ATOM 793 C LYS A 53 -9.565 3.229 -11.324 1.00 2.22 C ATOM 794 O LYS A 53 -8.572 2.865 -11.967 1.00 4.31 O ATOM 795 CB LYS A 53 -9.875 5.752 -11.221 1.00 61.33 C ATOM 796 CG LYS A 53 -10.150 6.988 -12.102 1.00 55.22 C ATOM 797 CD LYS A 53 -9.828 8.311 -11.382 1.00 71.44 C ATOM 798 CE LYS A 53 -10.867 8.659 -10.301 1.00 22.15 C ATOM 799 NZ LYS A 53 -12.213 8.864 -10.901 1.00 42.22 N ATOM 0 H LYS A 53 -12.138 4.826 -10.703 1.00 32.41 H new ATOM 0 HA LYS A 53 -10.300 4.445 -12.899 1.00 1.12 H new ATOM 0 HB2 LYS A 53 -10.331 5.908 -10.243 1.00 61.33 H new ATOM 0 HB3 LYS A 53 -8.800 5.665 -11.061 1.00 61.33 H new ATOM 0 HG2 LYS A 53 -9.555 6.920 -13.013 1.00 55.22 H new ATOM 0 HG3 LYS A 53 -11.197 6.989 -12.404 1.00 55.22 H new ATOM 0 HD2 LYS A 53 -8.841 8.242 -10.924 1.00 71.44 H new ATOM 0 HD3 LYS A 53 -9.784 9.118 -12.113 1.00 71.44 H new ATOM 0 HE2 LYS A 53 -10.912 7.858 -9.563 1.00 22.15 H new ATOM 0 HE3 LYS A 53 -10.559 9.561 -9.773 1.00 22.15 H new ATOM 0 HZ1 LYS A 53 -12.662 9.698 -10.470 1.00 42.22 H new ATOM 0 HZ2 LYS A 53 -12.117 9.013 -11.926 1.00 42.22 H new ATOM 0 HZ3 LYS A 53 -12.802 8.025 -10.727 1.00 42.22 H new ATOM 813 N VAL A 54 -9.962 2.639 -10.194 1.00 33.45 N ATOM 814 CA VAL A 54 -9.278 1.469 -9.623 1.00 13.41 C ATOM 815 C VAL A 54 -9.309 0.304 -10.635 1.00 41.31 C ATOM 816 O VAL A 54 -8.267 -0.260 -10.982 1.00 52.12 O ATOM 817 CB VAL A 54 -9.931 1.059 -8.243 1.00 62.23 C ATOM 818 CG1 VAL A 54 -9.409 -0.303 -7.739 1.00 40.10 C ATOM 819 CG2 VAL A 54 -9.691 2.165 -7.176 1.00 2.32 C ATOM 0 H VAL A 54 -10.764 2.955 -9.648 1.00 33.45 H new ATOM 0 HA VAL A 54 -8.237 1.722 -9.425 1.00 13.41 H new ATOM 0 HB VAL A 54 -11.003 0.955 -8.408 1.00 62.23 H new ATOM 0 HG11 VAL A 54 -9.884 -0.545 -6.788 1.00 40.10 H new ATOM 0 HG12 VAL A 54 -9.645 -1.076 -8.470 1.00 40.10 H new ATOM 0 HG13 VAL A 54 -8.329 -0.251 -7.602 1.00 40.10 H new ATOM 0 HG21 VAL A 54 -10.147 1.866 -6.233 1.00 2.32 H new ATOM 0 HG22 VAL A 54 -8.620 2.306 -7.032 1.00 2.32 H new ATOM 0 HG23 VAL A 54 -10.137 3.100 -7.514 1.00 2.32 H new ATOM 829 N LEU A 55 -10.517 0.010 -11.142 1.00 25.24 N ATOM 830 CA LEU A 55 -10.745 -1.035 -12.154 1.00 13.22 C ATOM 831 C LEU A 55 -10.271 -0.590 -13.556 1.00 71.45 C ATOM 832 O LEU A 55 -9.984 -1.443 -14.402 1.00 2.13 O ATOM 833 CB LEU A 55 -12.229 -1.470 -12.170 1.00 31.02 C ATOM 834 CG LEU A 55 -12.755 -2.092 -10.837 1.00 73.22 C ATOM 835 CD1 LEU A 55 -14.232 -2.506 -10.947 1.00 70.24 C ATOM 836 CD2 LEU A 55 -11.866 -3.277 -10.376 1.00 23.44 C ATOM 0 H LEU A 55 -11.369 0.494 -10.859 1.00 25.24 H new ATOM 0 HA LEU A 55 -10.143 -1.900 -11.876 1.00 13.22 H new ATOM 0 HB2 LEU A 55 -12.842 -0.603 -12.414 1.00 31.02 H new ATOM 0 HB3 LEU A 55 -12.370 -2.196 -12.971 1.00 31.02 H new ATOM 0 HG LEU A 55 -12.693 -1.318 -10.072 1.00 73.22 H new ATOM 0 HD11 LEU A 55 -14.561 -2.934 -10.000 1.00 70.24 H new ATOM 0 HD12 LEU A 55 -14.839 -1.631 -11.180 1.00 70.24 H new ATOM 0 HD13 LEU A 55 -14.344 -3.247 -11.739 1.00 70.24 H new ATOM 0 HD21 LEU A 55 -12.260 -3.687 -9.446 1.00 23.44 H new ATOM 0 HD22 LEU A 55 -11.866 -4.052 -11.143 1.00 23.44 H new ATOM 0 HD23 LEU A 55 -10.847 -2.926 -10.215 1.00 23.44 H new ATOM 848 N ASP A 56 -10.250 0.744 -13.805 1.00 25.24 N ATOM 849 CA ASP A 56 -9.748 1.326 -15.076 1.00 43.12 C ATOM 850 C ASP A 56 -8.279 0.959 -15.293 1.00 54.43 C ATOM 851 O ASP A 56 -7.916 0.427 -16.349 1.00 70.43 O ATOM 852 CB ASP A 56 -9.898 2.872 -15.077 1.00 1.05 C ATOM 853 CG ASP A 56 -9.469 3.544 -16.393 1.00 41.32 C ATOM 854 OD1 ASP A 56 -10.306 3.653 -17.314 1.00 24.51 O ATOM 855 OD2 ASP A 56 -8.298 3.966 -16.515 1.00 43.01 O ATOM 0 H ASP A 56 -10.578 1.441 -13.137 1.00 25.24 H new ATOM 0 HA ASP A 56 -10.346 0.912 -15.888 1.00 43.12 H new ATOM 0 HB2 ASP A 56 -10.939 3.125 -14.875 1.00 1.05 H new ATOM 0 HB3 ASP A 56 -9.305 3.284 -14.261 1.00 1.05 H new ATOM 860 N TYR A 57 -7.446 1.251 -14.274 1.00 23.04 N ATOM 861 CA TYR A 57 -6.017 0.941 -14.310 1.00 54.52 C ATOM 862 C TYR A 57 -5.795 -0.580 -14.270 1.00 55.14 C ATOM 863 O TYR A 57 -4.853 -1.065 -14.884 1.00 23.41 O ATOM 864 CB TYR A 57 -5.235 1.630 -13.160 1.00 24.31 C ATOM 865 CG TYR A 57 -3.736 1.244 -13.132 1.00 63.53 C ATOM 866 CD1 TYR A 57 -2.818 1.838 -14.008 1.00 54.35 C ATOM 867 CD2 TYR A 57 -3.258 0.235 -12.285 1.00 22.34 C ATOM 868 CE1 TYR A 57 -1.494 1.443 -14.034 1.00 44.23 C ATOM 869 CE2 TYR A 57 -1.937 -0.148 -12.309 1.00 63.51 C ATOM 870 CZ TYR A 57 -1.059 0.448 -13.184 1.00 60.05 C ATOM 871 OH TYR A 57 0.261 0.039 -13.213 1.00 23.31 O ATOM 0 H TYR A 57 -7.749 1.705 -13.412 1.00 23.04 H new ATOM 0 HA TYR A 57 -5.627 1.336 -15.248 1.00 54.52 H new ATOM 0 HB2 TYR A 57 -5.324 2.711 -13.264 1.00 24.31 H new ATOM 0 HB3 TYR A 57 -5.691 1.363 -12.207 1.00 24.31 H new ATOM 0 HD1 TYR A 57 -3.151 2.619 -14.675 1.00 54.35 H new ATOM 0 HD2 TYR A 57 -3.939 -0.250 -11.601 1.00 22.34 H new ATOM 0 HE1 TYR A 57 -0.802 1.912 -14.718 1.00 44.23 H new ATOM 0 HE2 TYR A 57 -1.588 -0.919 -11.638 1.00 63.51 H new ATOM 0 HH TYR A 57 0.399 -0.669 -12.550 1.00 23.31 H new ATOM 881 N CYS A 58 -6.634 -1.311 -13.509 1.00 20.42 N ATOM 882 CA CYS A 58 -6.545 -2.782 -13.430 1.00 31.51 C ATOM 883 C CYS A 58 -6.752 -3.418 -14.816 1.00 65.02 C ATOM 884 O CYS A 58 -6.021 -4.337 -15.198 1.00 62.22 O ATOM 885 CB CYS A 58 -7.543 -3.352 -12.404 1.00 33.34 C ATOM 886 SG CYS A 58 -7.144 -2.930 -10.696 1.00 4.43 S ATOM 0 H CYS A 58 -7.379 -0.907 -12.942 1.00 20.42 H new ATOM 0 HA CYS A 58 -5.542 -3.036 -13.087 1.00 31.51 H new ATOM 0 HB2 CYS A 58 -8.542 -2.982 -12.637 1.00 33.34 H new ATOM 0 HB3 CYS A 58 -7.574 -4.437 -12.504 1.00 33.34 H new ATOM 0 HG CYS A 58 -7.471 -1.693 -10.467 1.00 4.43 H new ATOM 892 N ARG A 59 -7.745 -2.902 -15.571 1.00 31.11 N ATOM 893 CA ARG A 59 -8.045 -3.382 -16.933 1.00 64.21 C ATOM 894 C ARG A 59 -6.856 -3.057 -17.852 1.00 42.24 C ATOM 895 O ARG A 59 -6.394 -3.908 -18.608 1.00 25.13 O ATOM 896 CB ARG A 59 -9.351 -2.743 -17.474 1.00 71.41 C ATOM 897 CG ARG A 59 -9.790 -3.291 -18.853 1.00 14.34 C ATOM 898 CD ARG A 59 -11.113 -2.705 -19.363 1.00 62.34 C ATOM 899 NE ARG A 59 -11.486 -3.291 -20.662 1.00 51.32 N ATOM 900 CZ ARG A 59 -12.722 -3.305 -21.191 1.00 63.41 C ATOM 901 NH1 ARG A 59 -13.754 -2.757 -20.557 1.00 11.11 N ATOM 902 NH2 ARG A 59 -12.918 -3.893 -22.358 1.00 41.42 N ATOM 0 H ARG A 59 -8.355 -2.148 -15.256 1.00 31.11 H new ATOM 0 HA ARG A 59 -8.198 -4.461 -16.907 1.00 64.21 H new ATOM 0 HB2 ARG A 59 -10.152 -2.912 -16.755 1.00 71.41 H new ATOM 0 HB3 ARG A 59 -9.213 -1.664 -17.549 1.00 71.41 H new ATOM 0 HG2 ARG A 59 -9.007 -3.082 -19.582 1.00 14.34 H new ATOM 0 HG3 ARG A 59 -9.885 -4.375 -18.789 1.00 14.34 H new ATOM 0 HD2 ARG A 59 -11.902 -2.893 -18.635 1.00 62.34 H new ATOM 0 HD3 ARG A 59 -11.021 -1.623 -19.461 1.00 62.34 H new ATOM 0 HE ARG A 59 -10.741 -3.724 -21.208 1.00 51.32 H new ATOM 0 HH11 ARG A 59 -13.617 -2.313 -19.649 1.00 11.11 H new ATOM 0 HH12 ARG A 59 -14.682 -2.780 -20.979 1.00 11.11 H new ATOM 0 HH21 ARG A 59 -12.136 -4.329 -22.847 1.00 41.42 H new ATOM 0 HH22 ARG A 59 -13.851 -3.910 -22.770 1.00 41.42 H new ATOM 916 N HIS A 60 -6.353 -1.817 -17.711 1.00 71.02 N ATOM 917 CA HIS A 60 -5.147 -1.321 -18.395 1.00 13.34 C ATOM 918 C HIS A 60 -3.910 -2.192 -18.082 1.00 41.25 C ATOM 919 O HIS A 60 -3.068 -2.400 -18.951 1.00 50.01 O ATOM 920 CB HIS A 60 -4.890 0.153 -17.970 1.00 13.51 C ATOM 921 CG HIS A 60 -3.554 0.718 -18.387 1.00 21.11 C ATOM 922 ND1 HIS A 60 -3.272 1.098 -19.672 1.00 62.01 N ATOM 923 CD2 HIS A 60 -2.428 0.955 -17.674 1.00 61.14 C ATOM 924 CE1 HIS A 60 -2.034 1.533 -19.735 1.00 51.03 C ATOM 925 NE2 HIS A 60 -1.494 1.464 -18.532 1.00 60.11 N ATOM 0 H HIS A 60 -6.783 -1.118 -17.105 1.00 71.02 H new ATOM 0 HA HIS A 60 -5.315 -1.375 -19.471 1.00 13.34 H new ATOM 0 HB2 HIS A 60 -5.678 0.778 -18.390 1.00 13.51 H new ATOM 0 HB3 HIS A 60 -4.973 0.221 -16.885 1.00 13.51 H new ATOM 0 HD2 HIS A 60 -2.292 0.774 -16.618 1.00 61.14 H new ATOM 0 HE1 HIS A 60 -1.538 1.889 -20.626 1.00 51.03 H new ATOM 0 HE2 HIS A 60 -0.544 1.742 -18.286 1.00 60.11 H new ATOM 934 N HIS A 61 -3.815 -2.665 -16.827 1.00 43.45 N ATOM 935 CA HIS A 61 -2.666 -3.438 -16.332 1.00 14.11 C ATOM 936 C HIS A 61 -2.755 -4.907 -16.788 1.00 53.34 C ATOM 937 O HIS A 61 -1.752 -5.628 -16.800 1.00 64.30 O ATOM 938 CB HIS A 61 -2.563 -3.338 -14.784 1.00 64.14 C ATOM 939 CG HIS A 61 -1.288 -3.918 -14.236 1.00 14.23 C ATOM 940 ND1 HIS A 61 -1.186 -5.200 -13.746 1.00 33.33 N ATOM 941 CD2 HIS A 61 -0.051 -3.387 -14.145 1.00 33.42 C ATOM 942 CE1 HIS A 61 0.057 -5.432 -13.386 1.00 3.53 C ATOM 943 NE2 HIS A 61 0.776 -4.350 -13.619 1.00 20.00 N ATOM 0 H HIS A 61 -4.539 -2.520 -16.124 1.00 43.45 H new ATOM 0 HA HIS A 61 -1.758 -3.011 -16.759 1.00 14.11 H new ATOM 0 HB2 HIS A 61 -2.635 -2.291 -14.488 1.00 64.14 H new ATOM 0 HB3 HIS A 61 -3.412 -3.855 -14.336 1.00 64.14 H new ATOM 0 HD1 HIS A 61 -1.955 -5.866 -13.673 1.00 33.33 H new ATOM 0 HD2 HIS A 61 0.237 -2.387 -14.433 1.00 33.42 H new ATOM 0 HE1 HIS A 61 0.429 -6.356 -12.968 1.00 3.53 H new ATOM 952 N HIS A 62 -3.973 -5.348 -17.139 1.00 4.11 N ATOM 953 CA HIS A 62 -4.198 -6.685 -17.705 1.00 70.42 C ATOM 954 C HIS A 62 -3.890 -6.674 -19.219 1.00 14.23 C ATOM 955 O HIS A 62 -3.343 -7.645 -19.760 1.00 74.11 O ATOM 956 CB HIS A 62 -5.648 -7.145 -17.429 1.00 1.31 C ATOM 957 CG HIS A 62 -5.909 -8.577 -17.821 1.00 30.02 C ATOM 958 ND1 HIS A 62 -5.748 -9.635 -16.951 1.00 43.24 N ATOM 959 CD2 HIS A 62 -6.288 -9.119 -18.996 1.00 30.21 C ATOM 960 CE1 HIS A 62 -6.006 -10.756 -17.584 1.00 1.43 C ATOM 961 NE2 HIS A 62 -6.343 -10.472 -18.824 1.00 54.43 N ATOM 0 H HIS A 62 -4.822 -4.792 -17.039 1.00 4.11 H new ATOM 0 HA HIS A 62 -3.525 -7.397 -17.227 1.00 70.42 H new ATOM 0 HB2 HIS A 62 -5.864 -7.022 -16.368 1.00 1.31 H new ATOM 0 HB3 HIS A 62 -6.336 -6.497 -17.972 1.00 1.31 H new ATOM 0 HD2 HIS A 62 -6.508 -8.581 -19.906 1.00 30.21 H new ATOM 0 HE1 HIS A 62 -5.951 -11.747 -17.158 1.00 1.43 H new ATOM 0 HE2 HIS A 62 -6.603 -11.151 -19.539 1.00 54.43 H new ATOM 970 N GLN A 63 -4.262 -5.562 -19.886 1.00 2.12 N ATOM 971 CA GLN A 63 -3.995 -5.345 -21.321 1.00 15.31 C ATOM 972 C GLN A 63 -2.494 -5.090 -21.550 1.00 3.42 C ATOM 973 O GLN A 63 -1.917 -5.536 -22.545 1.00 1.22 O ATOM 974 CB GLN A 63 -4.833 -4.144 -21.847 1.00 74.31 C ATOM 975 CG GLN A 63 -6.358 -4.363 -21.781 1.00 51.25 C ATOM 976 CD GLN A 63 -7.209 -3.192 -22.285 1.00 54.50 C ATOM 977 OE1 GLN A 63 -8.321 -2.972 -21.809 1.00 55.41 O ATOM 978 NE2 GLN A 63 -6.729 -2.461 -23.279 1.00 35.04 N ATOM 0 H GLN A 63 -4.757 -4.788 -19.443 1.00 2.12 H new ATOM 0 HA GLN A 63 -4.284 -6.240 -21.871 1.00 15.31 H new ATOM 0 HB2 GLN A 63 -4.579 -3.256 -21.268 1.00 74.31 H new ATOM 0 HB3 GLN A 63 -4.550 -3.942 -22.880 1.00 74.31 H new ATOM 0 HG2 GLN A 63 -6.607 -5.249 -22.364 1.00 51.25 H new ATOM 0 HG3 GLN A 63 -6.634 -4.573 -20.748 1.00 51.25 H new ATOM 0 HE21 GLN A 63 -5.804 -2.661 -23.659 1.00 35.04 H new ATOM 0 HE22 GLN A 63 -7.284 -1.698 -23.665 1.00 35.04 H new ATOM 987 N HIS A 64 -1.886 -4.358 -20.609 1.00 74.33 N ATOM 988 CA HIS A 64 -0.460 -4.007 -20.616 1.00 2.33 C ATOM 989 C HIS A 64 0.139 -4.447 -19.274 1.00 44.52 C ATOM 990 O HIS A 64 -0.075 -3.761 -18.271 1.00 53.44 O ATOM 991 CB HIS A 64 -0.265 -2.480 -20.840 1.00 13.04 C ATOM 992 CG HIS A 64 -0.598 -2.033 -22.235 1.00 13.21 C ATOM 993 ND1 HIS A 64 0.363 -1.764 -23.180 1.00 32.35 N ATOM 994 CD2 HIS A 64 -1.789 -1.824 -22.847 1.00 44.02 C ATOM 995 CE1 HIS A 64 -0.215 -1.428 -24.310 1.00 51.12 C ATOM 996 NE2 HIS A 64 -1.521 -1.452 -24.137 1.00 4.40 N ATOM 0 H HIS A 64 -2.384 -3.984 -19.801 1.00 74.33 H new ATOM 0 HA HIS A 64 0.047 -4.515 -21.436 1.00 2.33 H new ATOM 0 HB2 HIS A 64 -0.890 -1.934 -20.133 1.00 13.04 H new ATOM 0 HB3 HIS A 64 0.770 -2.217 -20.620 1.00 13.04 H new ATOM 0 HD2 HIS A 64 -2.767 -1.931 -22.401 1.00 44.02 H new ATOM 0 HE1 HIS A 64 0.295 -1.174 -25.228 1.00 51.12 H new ATOM 0 HE2 HIS A 64 -2.218 -1.230 -24.848 1.00 4.40 H new ATOM 1094 N ILE A 73 5.829 5.716 -19.675 1.00 32.52 N ATOM 1095 CA ILE A 73 4.873 6.749 -19.236 1.00 70.23 C ATOM 1096 C ILE A 73 3.862 6.960 -20.395 1.00 35.23 C ATOM 1097 O ILE A 73 4.074 7.833 -21.251 1.00 3.44 O ATOM 1098 CB ILE A 73 5.565 8.136 -18.837 1.00 34.14 C ATOM 1099 CG1 ILE A 73 6.677 7.961 -17.728 1.00 44.22 C ATOM 1100 CG2 ILE A 73 4.493 9.173 -18.379 1.00 63.42 C ATOM 1101 CD1 ILE A 73 8.007 7.380 -18.207 1.00 5.21 C ATOM 0 HA ILE A 73 4.382 6.404 -18.326 1.00 70.23 H new ATOM 0 HB ILE A 73 6.063 8.511 -19.731 1.00 34.14 H new ATOM 0 HG12 ILE A 73 6.869 8.934 -17.276 1.00 44.22 H new ATOM 0 HG13 ILE A 73 6.282 7.317 -16.943 1.00 44.22 H new ATOM 0 HG21 ILE A 73 4.983 10.109 -18.112 1.00 63.42 H new ATOM 0 HG22 ILE A 73 3.789 9.351 -19.192 1.00 63.42 H new ATOM 0 HG23 ILE A 73 3.957 8.784 -17.513 1.00 63.42 H new ATOM 0 HD11 ILE A 73 8.695 7.304 -17.365 1.00 5.21 H new ATOM 0 HD12 ILE A 73 7.840 6.389 -18.630 1.00 5.21 H new ATOM 0 HD13 ILE A 73 8.436 8.032 -18.968 1.00 5.21 H new ATOM 1113 N PRO A 74 2.793 6.104 -20.502 1.00 1.43 N ATOM 1114 CA PRO A 74 1.765 6.257 -21.556 1.00 72.25 C ATOM 1115 C PRO A 74 0.866 7.497 -21.309 1.00 3.21 C ATOM 1116 O PRO A 74 0.576 7.820 -20.146 1.00 61.42 O ATOM 1117 CB PRO A 74 0.956 4.925 -21.476 1.00 73.24 C ATOM 1118 CG PRO A 74 1.798 4.005 -20.641 1.00 21.24 C ATOM 1119 CD PRO A 74 2.502 4.916 -19.661 1.00 25.22 C ATOM 0 HA PRO A 74 2.196 6.426 -22.543 1.00 72.25 H new ATOM 0 HB2 PRO A 74 -0.022 5.085 -21.022 1.00 73.24 H new ATOM 0 HB3 PRO A 74 0.783 4.509 -22.468 1.00 73.24 H new ATOM 0 HG2 PRO A 74 1.185 3.266 -20.125 1.00 21.24 H new ATOM 0 HG3 PRO A 74 2.512 3.455 -21.254 1.00 21.24 H new ATOM 0 HD2 PRO A 74 1.870 5.164 -18.808 1.00 25.22 H new ATOM 0 HD3 PRO A 74 3.411 4.464 -19.264 1.00 25.22 H new ATOM 1127 N PRO A 75 0.434 8.228 -22.395 1.00 53.31 N ATOM 1128 CA PRO A 75 -0.551 9.347 -22.289 1.00 42.23 C ATOM 1129 C PRO A 75 -1.861 8.937 -21.566 1.00 35.32 C ATOM 1130 O PRO A 75 -2.522 9.776 -20.964 1.00 21.33 O ATOM 1131 CB PRO A 75 -0.822 9.721 -23.767 1.00 62.12 C ATOM 1132 CG PRO A 75 0.425 9.312 -24.497 1.00 53.14 C ATOM 1133 CD PRO A 75 0.897 8.049 -23.808 1.00 3.43 C ATOM 0 HA PRO A 75 -0.165 10.172 -21.691 1.00 42.23 H new ATOM 0 HB2 PRO A 75 -1.697 9.199 -24.154 1.00 62.12 H new ATOM 0 HB3 PRO A 75 -1.013 10.788 -23.877 1.00 62.12 H new ATOM 0 HG2 PRO A 75 0.221 9.131 -25.552 1.00 53.14 H new ATOM 0 HG3 PRO A 75 1.183 10.093 -24.448 1.00 53.14 H new ATOM 0 HD2 PRO A 75 0.464 7.158 -24.263 1.00 3.43 H new ATOM 0 HD3 PRO A 75 1.980 7.941 -23.865 1.00 3.43 H new ATOM 1141 N TYR A 76 -2.190 7.630 -21.638 1.00 2.40 N ATOM 1142 CA TYR A 76 -3.347 7.019 -20.946 1.00 35.42 C ATOM 1143 C TYR A 76 -3.237 7.241 -19.422 1.00 21.51 C ATOM 1144 O TYR A 76 -4.175 7.741 -18.787 1.00 25.52 O ATOM 1145 CB TYR A 76 -3.403 5.497 -21.279 1.00 10.24 C ATOM 1146 CG TYR A 76 -4.631 4.740 -20.733 1.00 14.14 C ATOM 1147 CD1 TYR A 76 -4.648 4.196 -19.442 1.00 52.20 C ATOM 1148 CD2 TYR A 76 -5.774 4.560 -21.524 1.00 62.23 C ATOM 1149 CE1 TYR A 76 -5.746 3.508 -18.969 1.00 53.21 C ATOM 1150 CE2 TYR A 76 -6.876 3.873 -21.050 1.00 54.20 C ATOM 1151 CZ TYR A 76 -6.856 3.346 -19.774 1.00 31.22 C ATOM 1152 OH TYR A 76 -7.947 2.646 -19.303 1.00 11.31 O ATOM 0 H TYR A 76 -1.652 6.959 -22.186 1.00 2.40 H new ATOM 0 HA TYR A 76 -4.267 7.492 -21.290 1.00 35.42 H new ATOM 0 HB2 TYR A 76 -3.378 5.379 -22.362 1.00 10.24 H new ATOM 0 HB3 TYR A 76 -2.503 5.024 -20.886 1.00 10.24 H new ATOM 0 HD1 TYR A 76 -3.785 4.318 -18.805 1.00 52.20 H new ATOM 0 HD2 TYR A 76 -5.794 4.966 -22.524 1.00 62.23 H new ATOM 0 HE1 TYR A 76 -5.737 3.097 -17.970 1.00 53.21 H new ATOM 0 HE2 TYR A 76 -7.748 3.749 -21.675 1.00 54.20 H new ATOM 0 HH TYR A 76 -7.916 2.612 -18.324 1.00 11.31 H new ATOM 1162 N ASP A 77 -2.073 6.862 -18.865 1.00 71.13 N ATOM 1163 CA ASP A 77 -1.774 6.964 -17.417 1.00 32.20 C ATOM 1164 C ASP A 77 -1.578 8.425 -16.995 1.00 74.14 C ATOM 1165 O ASP A 77 -1.836 8.789 -15.843 1.00 42.40 O ATOM 1166 CB ASP A 77 -0.524 6.115 -17.066 1.00 73.33 C ATOM 1167 CG ASP A 77 -0.749 4.621 -17.355 1.00 52.01 C ATOM 1168 OD1 ASP A 77 -0.863 3.816 -16.404 1.00 43.32 O ATOM 1169 OD2 ASP A 77 -0.843 4.256 -18.545 1.00 22.14 O ATOM 0 H ASP A 77 -1.303 6.472 -19.409 1.00 71.13 H new ATOM 0 HA ASP A 77 -2.627 6.572 -16.863 1.00 32.20 H new ATOM 0 HB2 ASP A 77 0.331 6.472 -17.641 1.00 73.33 H new ATOM 0 HB3 ASP A 77 -0.278 6.248 -16.013 1.00 73.33 H new ATOM 1174 N ARG A 78 -1.120 9.251 -17.948 1.00 13.20 N ATOM 1175 CA ARG A 78 -0.975 10.704 -17.764 1.00 74.31 C ATOM 1176 C ARG A 78 -2.363 11.371 -17.586 1.00 53.31 C ATOM 1177 O ARG A 78 -2.519 12.277 -16.761 1.00 65.03 O ATOM 1178 CB ARG A 78 -0.203 11.290 -18.977 1.00 75.40 C ATOM 1179 CG ARG A 78 0.018 12.821 -18.963 1.00 71.01 C ATOM 1180 CD ARG A 78 0.961 13.278 -20.094 1.00 20.13 C ATOM 1181 NE ARG A 78 2.325 12.739 -19.907 1.00 40.30 N ATOM 1182 CZ ARG A 78 3.196 12.427 -20.892 1.00 32.25 C ATOM 1183 NH1 ARG A 78 2.878 12.591 -22.157 1.00 73.12 N ATOM 1184 NH2 ARG A 78 4.378 11.953 -20.580 1.00 5.43 N ATOM 0 H ARG A 78 -0.838 8.928 -18.874 1.00 13.20 H new ATOM 0 HA ARG A 78 -0.406 10.910 -16.857 1.00 74.31 H new ATOM 0 HB2 ARG A 78 0.770 10.803 -19.033 1.00 75.40 H new ATOM 0 HB3 ARG A 78 -0.743 11.029 -19.887 1.00 75.40 H new ATOM 0 HG2 ARG A 78 -0.942 13.327 -19.065 1.00 71.01 H new ATOM 0 HG3 ARG A 78 0.435 13.119 -18.001 1.00 71.01 H new ATOM 0 HD2 ARG A 78 0.566 12.949 -21.055 1.00 20.13 H new ATOM 0 HD3 ARG A 78 0.999 14.367 -20.121 1.00 20.13 H new ATOM 0 HE ARG A 78 2.637 12.589 -18.947 1.00 40.30 H new ATOM 0 HH11 ARG A 78 1.961 12.959 -22.409 1.00 73.12 H new ATOM 0 HH12 ARG A 78 3.549 12.350 -22.887 1.00 73.12 H new ATOM 0 HH21 ARG A 78 4.633 11.823 -19.601 1.00 5.43 H new ATOM 0 HH22 ARG A 78 5.042 11.715 -21.316 1.00 5.43 H new ATOM 1198 N ASP A 79 -3.364 10.895 -18.362 1.00 32.40 N ATOM 1199 CA ASP A 79 -4.779 11.338 -18.240 1.00 51.44 C ATOM 1200 C ASP A 79 -5.442 10.725 -16.995 1.00 12.15 C ATOM 1201 O ASP A 79 -6.363 11.319 -16.417 1.00 53.34 O ATOM 1202 CB ASP A 79 -5.595 10.976 -19.517 1.00 44.35 C ATOM 1203 CG ASP A 79 -5.382 11.972 -20.672 1.00 34.52 C ATOM 1204 OD1 ASP A 79 -6.253 12.841 -20.893 1.00 71.23 O ATOM 1205 OD2 ASP A 79 -4.336 11.912 -21.338 1.00 31.30 O ATOM 0 H ASP A 79 -3.218 10.195 -19.089 1.00 32.40 H new ATOM 0 HA ASP A 79 -4.775 12.423 -18.132 1.00 51.44 H new ATOM 0 HB2 ASP A 79 -5.313 9.977 -19.850 1.00 44.35 H new ATOM 0 HB3 ASP A 79 -6.655 10.941 -19.266 1.00 44.35 H new ATOM 1210 N PHE A 80 -4.968 9.532 -16.609 1.00 13.50 N ATOM 1211 CA PHE A 80 -5.436 8.811 -15.414 1.00 2.44 C ATOM 1212 C PHE A 80 -5.082 9.602 -14.133 1.00 13.33 C ATOM 1213 O PHE A 80 -5.883 9.683 -13.193 1.00 41.23 O ATOM 1214 CB PHE A 80 -4.792 7.397 -15.386 1.00 64.41 C ATOM 1215 CG PHE A 80 -5.238 6.533 -14.215 1.00 61.23 C ATOM 1216 CD1 PHE A 80 -4.463 6.425 -13.053 1.00 31.21 C ATOM 1217 CD2 PHE A 80 -6.455 5.865 -14.266 1.00 1.30 C ATOM 1218 CE1 PHE A 80 -4.900 5.676 -11.988 1.00 13.44 C ATOM 1219 CE2 PHE A 80 -6.880 5.113 -13.203 1.00 23.43 C ATOM 1220 CZ PHE A 80 -6.109 5.019 -12.062 1.00 43.35 C ATOM 0 H PHE A 80 -4.241 9.034 -17.123 1.00 13.50 H new ATOM 0 HA PHE A 80 -6.520 8.708 -15.453 1.00 2.44 H new ATOM 0 HB2 PHE A 80 -5.033 6.882 -16.316 1.00 64.41 H new ATOM 0 HB3 PHE A 80 -3.708 7.504 -15.352 1.00 64.41 H new ATOM 0 HD1 PHE A 80 -3.513 6.935 -12.994 1.00 31.21 H new ATOM 0 HD2 PHE A 80 -7.071 5.939 -15.150 1.00 1.30 H new ATOM 0 HE1 PHE A 80 -4.298 5.602 -11.095 1.00 13.44 H new ATOM 0 HE2 PHE A 80 -7.824 4.591 -13.258 1.00 23.43 H new ATOM 0 HZ PHE A 80 -6.454 4.429 -11.226 1.00 43.35 H new ATOM 1230 N CYS A 81 -3.871 10.190 -14.132 1.00 14.13 N ATOM 1231 CA CYS A 81 -3.342 10.985 -13.009 1.00 63.44 C ATOM 1232 C CYS A 81 -4.019 12.373 -12.890 1.00 70.34 C ATOM 1233 O CYS A 81 -3.751 13.110 -11.932 1.00 72.50 O ATOM 1234 CB CYS A 81 -1.817 11.143 -13.180 1.00 44.53 C ATOM 1235 SG CYS A 81 -0.911 9.575 -13.146 1.00 23.31 S ATOM 0 H CYS A 81 -3.226 10.125 -14.919 1.00 14.13 H new ATOM 0 HA CYS A 81 -3.566 10.452 -12.085 1.00 63.44 H new ATOM 0 HB2 CYS A 81 -1.617 11.647 -14.126 1.00 44.53 H new ATOM 0 HB3 CYS A 81 -1.437 11.789 -12.388 1.00 44.53 H new ATOM 0 HG CYS A 81 -1.230 8.867 -14.189 1.00 23.31 H new ATOM 1241 N LYS A 82 -4.885 12.731 -13.872 1.00 34.21 N ATOM 1242 CA LYS A 82 -5.624 14.013 -13.868 1.00 14.43 C ATOM 1243 C LYS A 82 -6.842 13.914 -12.937 1.00 60.42 C ATOM 1244 O LYS A 82 -7.975 13.704 -13.384 1.00 2.03 O ATOM 1245 CB LYS A 82 -6.049 14.426 -15.311 1.00 4.12 C ATOM 1246 CG LYS A 82 -4.903 14.599 -16.345 1.00 0.14 C ATOM 1247 CD LYS A 82 -3.888 15.734 -16.001 1.00 43.22 C ATOM 1248 CE LYS A 82 -2.691 15.274 -15.142 1.00 74.21 C ATOM 1249 NZ LYS A 82 -1.843 16.413 -14.713 1.00 52.43 N ATOM 0 H LYS A 82 -5.087 12.143 -14.681 1.00 34.21 H new ATOM 0 HA LYS A 82 -4.962 14.793 -13.491 1.00 14.43 H new ATOM 0 HB2 LYS A 82 -6.742 13.675 -15.691 1.00 4.12 H new ATOM 0 HB3 LYS A 82 -6.599 15.365 -15.250 1.00 4.12 H new ATOM 0 HG2 LYS A 82 -4.361 13.657 -16.429 1.00 0.14 H new ATOM 0 HG3 LYS A 82 -5.340 14.803 -17.322 1.00 0.14 H new ATOM 0 HD2 LYS A 82 -3.511 16.162 -16.930 1.00 43.22 H new ATOM 0 HD3 LYS A 82 -4.415 16.529 -15.474 1.00 43.22 H new ATOM 0 HE2 LYS A 82 -3.058 14.744 -14.263 1.00 74.21 H new ATOM 0 HE3 LYS A 82 -2.087 14.567 -15.711 1.00 74.21 H new ATOM 0 HZ1 LYS A 82 -1.051 16.059 -14.139 1.00 52.43 H new ATOM 0 HZ2 LYS A 82 -1.471 16.904 -15.551 1.00 52.43 H new ATOM 0 HZ3 LYS A 82 -2.412 17.076 -14.148 1.00 52.43 H new ATOM 1263 N VAL A 83 -6.572 13.997 -11.624 1.00 73.33 N ATOM 1264 CA VAL A 83 -7.604 14.005 -10.570 1.00 5.33 C ATOM 1265 C VAL A 83 -7.254 15.063 -9.506 1.00 31.30 C ATOM 1266 O VAL A 83 -6.192 15.698 -9.571 1.00 55.11 O ATOM 1267 CB VAL A 83 -7.767 12.584 -9.893 1.00 63.22 C ATOM 1268 CG1 VAL A 83 -8.302 11.532 -10.895 1.00 5.32 C ATOM 1269 CG2 VAL A 83 -6.447 12.105 -9.244 1.00 1.34 C ATOM 0 H VAL A 83 -5.622 14.061 -11.259 1.00 73.33 H new ATOM 0 HA VAL A 83 -8.556 14.256 -11.037 1.00 5.33 H new ATOM 0 HB VAL A 83 -8.506 12.694 -9.100 1.00 63.22 H new ATOM 0 HG11 VAL A 83 -8.401 10.569 -10.394 1.00 5.32 H new ATOM 0 HG12 VAL A 83 -9.276 11.848 -11.269 1.00 5.32 H new ATOM 0 HG13 VAL A 83 -7.607 11.437 -11.729 1.00 5.32 H new ATOM 0 HG21 VAL A 83 -6.599 11.126 -8.790 1.00 1.34 H new ATOM 0 HG22 VAL A 83 -5.671 12.035 -10.006 1.00 1.34 H new ATOM 0 HG23 VAL A 83 -6.139 12.817 -8.478 1.00 1.34 H new ATOM 1279 N ASP A 84 -8.162 15.244 -8.533 1.00 41.52 N ATOM 1280 CA ASP A 84 -7.976 16.199 -7.426 1.00 30.32 C ATOM 1281 C ASP A 84 -6.978 15.660 -6.393 1.00 50.50 C ATOM 1282 O ASP A 84 -6.693 14.460 -6.362 1.00 41.31 O ATOM 1283 CB ASP A 84 -9.328 16.508 -6.741 1.00 22.03 C ATOM 1284 CG ASP A 84 -10.316 17.218 -7.668 1.00 72.13 C ATOM 1285 OD1 ASP A 84 -10.400 18.464 -7.633 1.00 3.20 O ATOM 1286 OD2 ASP A 84 -10.991 16.526 -8.462 1.00 62.15 O ATOM 0 H ASP A 84 -9.044 14.734 -8.491 1.00 41.52 H new ATOM 0 HA ASP A 84 -7.573 17.120 -7.847 1.00 30.32 H new ATOM 0 HB2 ASP A 84 -9.772 15.577 -6.389 1.00 22.03 H new ATOM 0 HB3 ASP A 84 -9.151 17.129 -5.863 1.00 22.03 H new ATOM 1291 N GLN A 85 -6.477 16.575 -5.540 1.00 35.02 N ATOM 1292 CA GLN A 85 -5.513 16.253 -4.468 1.00 1.44 C ATOM 1293 C GLN A 85 -6.122 15.252 -3.435 1.00 52.02 C ATOM 1294 O GLN A 85 -5.448 14.271 -3.104 1.00 63.51 O ATOM 1295 CB GLN A 85 -4.993 17.553 -3.776 1.00 35.14 C ATOM 1296 CG GLN A 85 -3.887 17.351 -2.708 1.00 53.41 C ATOM 1297 CD GLN A 85 -2.594 16.763 -3.282 1.00 62.22 C ATOM 1298 OE1 GLN A 85 -2.265 16.983 -4.446 1.00 20.04 O ATOM 1299 NE2 GLN A 85 -1.845 16.045 -2.461 1.00 42.00 N ATOM 0 H GLN A 85 -6.730 17.562 -5.575 1.00 35.02 H new ATOM 0 HA GLN A 85 -4.656 15.758 -4.925 1.00 1.44 H new ATOM 0 HB2 GLN A 85 -4.611 18.224 -4.545 1.00 35.14 H new ATOM 0 HB3 GLN A 85 -5.839 18.055 -3.306 1.00 35.14 H new ATOM 0 HG2 GLN A 85 -3.665 18.309 -2.238 1.00 53.41 H new ATOM 0 HG3 GLN A 85 -4.263 16.691 -1.926 1.00 53.41 H new ATOM 0 HE21 GLN A 85 -2.151 15.883 -1.501 1.00 42.00 H new ATOM 0 HE22 GLN A 85 -0.962 15.653 -2.788 1.00 42.00 H new ATOM 1308 N PRO A 86 -7.394 15.465 -2.887 1.00 1.41 N ATOM 1309 CA PRO A 86 -8.057 14.455 -2.019 1.00 43.55 C ATOM 1310 C PRO A 86 -8.284 13.125 -2.756 1.00 22.12 C ATOM 1311 O PRO A 86 -8.057 12.060 -2.183 1.00 24.54 O ATOM 1312 CB PRO A 86 -9.407 15.124 -1.608 1.00 31.20 C ATOM 1313 CG PRO A 86 -9.188 16.590 -1.821 1.00 2.31 C ATOM 1314 CD PRO A 86 -8.260 16.682 -3.016 1.00 4.22 C ATOM 0 HA PRO A 86 -7.445 14.193 -1.155 1.00 43.55 H new ATOM 0 HB2 PRO A 86 -10.233 14.755 -2.216 1.00 31.20 H new ATOM 0 HB3 PRO A 86 -9.655 14.908 -0.569 1.00 31.20 H new ATOM 0 HG2 PRO A 86 -10.129 17.105 -2.012 1.00 2.31 H new ATOM 0 HG3 PRO A 86 -8.744 17.054 -0.940 1.00 2.31 H new ATOM 0 HD2 PRO A 86 -8.814 16.682 -3.955 1.00 4.22 H new ATOM 0 HD3 PRO A 86 -7.669 17.598 -2.995 1.00 4.22 H new ATOM 1322 N THR A 87 -8.696 13.214 -4.043 1.00 75.02 N ATOM 1323 CA THR A 87 -8.993 12.044 -4.904 1.00 25.51 C ATOM 1324 C THR A 87 -7.750 11.139 -5.082 1.00 42.42 C ATOM 1325 O THR A 87 -7.889 9.915 -5.145 1.00 61.03 O ATOM 1326 CB THR A 87 -9.535 12.489 -6.306 1.00 61.34 C ATOM 1327 OG1 THR A 87 -10.629 13.405 -6.137 1.00 45.33 O ATOM 1328 CG2 THR A 87 -10.011 11.293 -7.163 1.00 62.50 C ATOM 0 H THR A 87 -8.833 14.107 -4.517 1.00 75.02 H new ATOM 0 HA THR A 87 -9.768 11.468 -4.399 1.00 25.51 H new ATOM 0 HB THR A 87 -8.708 12.969 -6.829 1.00 61.34 H new ATOM 0 HG1 THR A 87 -10.963 13.681 -7.016 1.00 45.33 H new ATOM 0 HG21 THR A 87 -10.377 11.656 -8.123 1.00 62.50 H new ATOM 0 HG22 THR A 87 -9.179 10.609 -7.327 1.00 62.50 H new ATOM 0 HG23 THR A 87 -10.814 10.770 -6.644 1.00 62.50 H new ATOM 1336 N LEU A 88 -6.548 11.763 -5.160 1.00 63.33 N ATOM 1337 CA LEU A 88 -5.255 11.041 -5.203 1.00 54.14 C ATOM 1338 C LEU A 88 -5.122 10.099 -3.993 1.00 63.14 C ATOM 1339 O LEU A 88 -4.750 8.929 -4.145 1.00 54.12 O ATOM 1340 CB LEU A 88 -4.071 12.058 -5.232 1.00 43.24 C ATOM 1341 CG LEU A 88 -3.772 12.736 -6.606 1.00 3.04 C ATOM 1342 CD1 LEU A 88 -2.796 13.923 -6.451 1.00 64.24 C ATOM 1343 CD2 LEU A 88 -3.225 11.698 -7.621 1.00 61.54 C ATOM 0 H LEU A 88 -6.450 12.778 -5.195 1.00 63.33 H new ATOM 0 HA LEU A 88 -5.223 10.440 -6.112 1.00 54.14 H new ATOM 0 HB2 LEU A 88 -4.275 12.841 -4.502 1.00 43.24 H new ATOM 0 HB3 LEU A 88 -3.169 11.542 -4.902 1.00 43.24 H new ATOM 0 HG LEU A 88 -4.711 13.133 -6.992 1.00 3.04 H new ATOM 0 HD11 LEU A 88 -2.610 14.371 -7.427 1.00 64.24 H new ATOM 0 HD12 LEU A 88 -3.233 14.669 -5.786 1.00 64.24 H new ATOM 0 HD13 LEU A 88 -1.855 13.568 -6.030 1.00 64.24 H new ATOM 0 HD21 LEU A 88 -3.023 12.191 -8.572 1.00 61.54 H new ATOM 0 HD22 LEU A 88 -2.303 11.262 -7.235 1.00 61.54 H new ATOM 0 HD23 LEU A 88 -3.964 10.911 -7.770 1.00 61.54 H new ATOM 1355 N PHE A 89 -5.449 10.627 -2.800 1.00 64.13 N ATOM 1356 CA PHE A 89 -5.390 9.869 -1.541 1.00 11.24 C ATOM 1357 C PHE A 89 -6.495 8.811 -1.473 1.00 61.54 C ATOM 1358 O PHE A 89 -6.265 7.737 -0.929 1.00 63.42 O ATOM 1359 CB PHE A 89 -5.459 10.817 -0.321 1.00 51.44 C ATOM 1360 CG PHE A 89 -4.264 11.757 -0.247 1.00 73.45 C ATOM 1361 CD1 PHE A 89 -4.401 13.134 -0.403 1.00 2.12 C ATOM 1362 CD2 PHE A 89 -2.987 11.241 -0.045 1.00 51.41 C ATOM 1363 CE1 PHE A 89 -3.302 13.964 -0.350 1.00 14.25 C ATOM 1364 CE2 PHE A 89 -1.894 12.068 0.001 1.00 3.14 C ATOM 1365 CZ PHE A 89 -2.046 13.432 -0.149 1.00 23.33 C ATOM 0 H PHE A 89 -5.761 11.591 -2.683 1.00 64.13 H new ATOM 0 HA PHE A 89 -4.432 9.349 -1.514 1.00 11.24 H new ATOM 0 HB2 PHE A 89 -6.376 11.404 -0.372 1.00 51.44 H new ATOM 0 HB3 PHE A 89 -5.509 10.225 0.593 1.00 51.44 H new ATOM 0 HD1 PHE A 89 -5.381 13.557 -0.568 1.00 2.12 H new ATOM 0 HD2 PHE A 89 -2.855 10.176 0.077 1.00 51.41 H new ATOM 0 HE1 PHE A 89 -3.425 15.031 -0.466 1.00 14.25 H new ATOM 0 HE2 PHE A 89 -0.910 11.650 0.155 1.00 3.14 H new ATOM 0 HZ PHE A 89 -1.183 14.081 -0.109 1.00 23.33 H new ATOM 1375 N GLU A 90 -7.676 9.109 -2.048 1.00 72.30 N ATOM 1376 CA GLU A 90 -8.806 8.161 -2.102 1.00 73.13 C ATOM 1377 C GLU A 90 -8.443 6.928 -2.965 1.00 55.13 C ATOM 1378 O GLU A 90 -8.889 5.811 -2.676 1.00 34.43 O ATOM 1379 CB GLU A 90 -10.070 8.860 -2.663 1.00 41.00 C ATOM 1380 CG GLU A 90 -10.555 10.089 -1.862 1.00 43.32 C ATOM 1381 CD GLU A 90 -10.995 9.763 -0.421 1.00 75.22 C ATOM 1382 OE1 GLU A 90 -10.140 9.744 0.494 1.00 22.35 O ATOM 1383 OE2 GLU A 90 -12.204 9.539 -0.191 1.00 42.34 O ATOM 0 H GLU A 90 -7.873 10.009 -2.486 1.00 72.30 H new ATOM 0 HA GLU A 90 -9.018 7.820 -1.089 1.00 73.13 H new ATOM 0 HB2 GLU A 90 -9.868 9.171 -3.688 1.00 41.00 H new ATOM 0 HB3 GLU A 90 -10.880 8.131 -2.705 1.00 41.00 H new ATOM 0 HG2 GLU A 90 -9.754 10.827 -1.828 1.00 43.32 H new ATOM 0 HG3 GLU A 90 -11.390 10.548 -2.391 1.00 43.32 H new ATOM 1390 N LEU A 91 -7.628 7.159 -4.021 1.00 34.15 N ATOM 1391 CA LEU A 91 -7.102 6.088 -4.887 1.00 42.41 C ATOM 1392 C LEU A 91 -6.080 5.222 -4.117 1.00 74.42 C ATOM 1393 O LEU A 91 -6.063 4.001 -4.275 1.00 42.15 O ATOM 1394 CB LEU A 91 -6.453 6.684 -6.172 1.00 42.54 C ATOM 1395 CG LEU A 91 -7.412 7.438 -7.153 1.00 62.30 C ATOM 1396 CD1 LEU A 91 -6.628 8.115 -8.297 1.00 1.43 C ATOM 1397 CD2 LEU A 91 -8.505 6.496 -7.710 1.00 22.30 C ATOM 0 H LEU A 91 -7.320 8.093 -4.293 1.00 34.15 H new ATOM 0 HA LEU A 91 -7.936 5.454 -5.189 1.00 42.41 H new ATOM 0 HB2 LEU A 91 -5.665 7.373 -5.868 1.00 42.54 H new ATOM 0 HB3 LEU A 91 -5.973 5.873 -6.720 1.00 42.54 H new ATOM 0 HG LEU A 91 -7.910 8.222 -6.582 1.00 62.30 H new ATOM 0 HD11 LEU A 91 -7.324 8.630 -8.960 1.00 1.43 H new ATOM 0 HD12 LEU A 91 -5.924 8.835 -7.879 1.00 1.43 H new ATOM 0 HD13 LEU A 91 -6.081 7.359 -8.861 1.00 1.43 H new ATOM 0 HD21 LEU A 91 -9.153 7.052 -8.388 1.00 22.30 H new ATOM 0 HD22 LEU A 91 -8.036 5.673 -8.250 1.00 22.30 H new ATOM 0 HD23 LEU A 91 -9.097 6.098 -6.886 1.00 22.30 H new ATOM 1409 N ILE A 92 -5.241 5.881 -3.275 1.00 44.21 N ATOM 1410 CA ILE A 92 -4.238 5.204 -2.413 1.00 52.14 C ATOM 1411 C ILE A 92 -4.941 4.327 -1.348 1.00 52.05 C ATOM 1412 O ILE A 92 -4.530 3.182 -1.107 1.00 22.33 O ATOM 1413 CB ILE A 92 -3.281 6.258 -1.708 1.00 53.00 C ATOM 1414 CG1 ILE A 92 -2.464 7.063 -2.774 1.00 14.11 C ATOM 1415 CG2 ILE A 92 -2.330 5.592 -0.671 1.00 35.33 C ATOM 1416 CD1 ILE A 92 -1.589 8.181 -2.217 1.00 22.41 C ATOM 0 H ILE A 92 -5.242 6.896 -3.175 1.00 44.21 H new ATOM 0 HA ILE A 92 -3.628 4.564 -3.051 1.00 52.14 H new ATOM 0 HB ILE A 92 -3.918 6.951 -1.158 1.00 53.00 H new ATOM 0 HG12 ILE A 92 -1.830 6.367 -3.323 1.00 14.11 H new ATOM 0 HG13 ILE A 92 -3.161 7.494 -3.493 1.00 14.11 H new ATOM 0 HG21 ILE A 92 -1.696 6.354 -0.217 1.00 35.33 H new ATOM 0 HG22 ILE A 92 -2.921 5.103 0.103 1.00 35.33 H new ATOM 0 HG23 ILE A 92 -1.706 4.852 -1.172 1.00 35.33 H new ATOM 0 HD11 ILE A 92 -1.066 8.676 -3.035 1.00 22.41 H new ATOM 0 HD12 ILE A 92 -2.213 8.906 -1.695 1.00 22.41 H new ATOM 0 HD13 ILE A 92 -0.861 7.762 -1.522 1.00 22.41 H new ATOM 1428 N LEU A 93 -6.014 4.876 -0.739 1.00 55.34 N ATOM 1429 CA LEU A 93 -6.777 4.202 0.333 1.00 32.31 C ATOM 1430 C LEU A 93 -7.533 2.984 -0.224 1.00 74.52 C ATOM 1431 O LEU A 93 -7.585 1.935 0.423 1.00 5.51 O ATOM 1432 CB LEU A 93 -7.768 5.189 1.024 1.00 51.30 C ATOM 1433 CG LEU A 93 -7.124 6.403 1.774 1.00 35.44 C ATOM 1434 CD1 LEU A 93 -8.196 7.317 2.401 1.00 64.41 C ATOM 1435 CD2 LEU A 93 -6.088 5.941 2.823 1.00 61.23 C ATOM 0 H LEU A 93 -6.376 5.800 -0.977 1.00 55.34 H new ATOM 0 HA LEU A 93 -6.066 3.857 1.083 1.00 32.31 H new ATOM 0 HB2 LEU A 93 -8.449 5.577 0.267 1.00 51.30 H new ATOM 0 HB3 LEU A 93 -8.371 4.626 1.737 1.00 51.30 H new ATOM 0 HG LEU A 93 -6.589 6.994 1.030 1.00 35.44 H new ATOM 0 HD11 LEU A 93 -7.711 8.148 2.913 1.00 64.41 H new ATOM 0 HD12 LEU A 93 -8.848 7.704 1.618 1.00 64.41 H new ATOM 0 HD13 LEU A 93 -8.788 6.746 3.116 1.00 64.41 H new ATOM 0 HD21 LEU A 93 -5.663 6.812 3.323 1.00 61.23 H new ATOM 0 HD22 LEU A 93 -6.576 5.302 3.559 1.00 61.23 H new ATOM 0 HD23 LEU A 93 -5.293 5.383 2.328 1.00 61.23 H new ATOM 1447 N ALA A 94 -8.100 3.143 -1.439 1.00 32.21 N ATOM 1448 CA ALA A 94 -8.840 2.074 -2.136 1.00 64.05 C ATOM 1449 C ALA A 94 -7.891 0.982 -2.656 1.00 12.44 C ATOM 1450 O ALA A 94 -8.267 -0.191 -2.720 1.00 60.11 O ATOM 1451 CB ALA A 94 -9.661 2.662 -3.292 1.00 74.25 C ATOM 0 H ALA A 94 -8.056 4.017 -1.963 1.00 32.21 H new ATOM 0 HA ALA A 94 -9.518 1.613 -1.418 1.00 64.05 H new ATOM 0 HB1 ALA A 94 -10.202 1.862 -3.798 1.00 74.25 H new ATOM 0 HB2 ALA A 94 -10.372 3.390 -2.900 1.00 74.25 H new ATOM 0 HB3 ALA A 94 -8.993 3.152 -4.000 1.00 74.25 H new ATOM 1457 N ALA A 95 -6.665 1.387 -3.032 1.00 32.20 N ATOM 1458 CA ALA A 95 -5.625 0.466 -3.528 1.00 22.53 C ATOM 1459 C ALA A 95 -5.060 -0.390 -2.389 1.00 31.35 C ATOM 1460 O ALA A 95 -4.690 -1.535 -2.601 1.00 10.43 O ATOM 1461 CB ALA A 95 -4.501 1.251 -4.202 1.00 64.05 C ATOM 0 H ALA A 95 -6.367 2.362 -3.001 1.00 32.20 H new ATOM 0 HA ALA A 95 -6.083 -0.199 -4.260 1.00 22.53 H new ATOM 0 HB1 ALA A 95 -3.740 0.559 -4.563 1.00 64.05 H new ATOM 0 HB2 ALA A 95 -4.905 1.817 -5.041 1.00 64.05 H new ATOM 0 HB3 ALA A 95 -4.055 1.938 -3.483 1.00 64.05 H new ATOM 1467 N ASN A 96 -4.974 0.214 -1.191 1.00 50.32 N ATOM 1468 CA ASN A 96 -4.555 -0.476 0.046 1.00 41.15 C ATOM 1469 C ASN A 96 -5.690 -1.399 0.548 1.00 11.53 C ATOM 1470 O ASN A 96 -5.432 -2.502 1.038 1.00 11.42 O ATOM 1471 CB ASN A 96 -4.167 0.576 1.126 1.00 54.21 C ATOM 1472 CG ASN A 96 -3.727 -0.022 2.475 1.00 2.22 C ATOM 1473 OD1 ASN A 96 -3.188 -1.126 2.549 1.00 43.00 O ATOM 1474 ND2 ASN A 96 -3.940 0.715 3.555 1.00 33.13 N ATOM 0 H ASN A 96 -5.194 1.200 -1.051 1.00 50.32 H new ATOM 0 HA ASN A 96 -3.682 -1.096 -0.159 1.00 41.15 H new ATOM 0 HB2 ASN A 96 -3.359 1.195 0.737 1.00 54.21 H new ATOM 0 HB3 ASN A 96 -5.019 1.234 1.296 1.00 54.21 H new ATOM 0 HD21 ASN A 96 -3.656 0.370 4.472 1.00 33.13 H new ATOM 0 HD22 ASN A 96 -4.388 1.627 3.470 1.00 33.13 H new ATOM 1481 N TYR A 97 -6.945 -0.927 0.396 1.00 51.43 N ATOM 1482 CA TYR A 97 -8.161 -1.675 0.787 1.00 34.11 C ATOM 1483 C TYR A 97 -8.344 -2.932 -0.091 1.00 64.15 C ATOM 1484 O TYR A 97 -8.723 -3.996 0.408 1.00 64.22 O ATOM 1485 CB TYR A 97 -9.401 -0.734 0.702 1.00 12.13 C ATOM 1486 CG TYR A 97 -10.774 -1.420 0.881 1.00 31.21 C ATOM 1487 CD1 TYR A 97 -11.697 -1.487 -0.174 1.00 45.32 C ATOM 1488 CD2 TYR A 97 -11.138 -2.008 2.100 1.00 12.52 C ATOM 1489 CE1 TYR A 97 -12.919 -2.113 -0.019 1.00 13.40 C ATOM 1490 CE2 TYR A 97 -12.364 -2.634 2.254 1.00 34.11 C ATOM 1491 CZ TYR A 97 -13.250 -2.684 1.192 1.00 23.14 C ATOM 1492 OH TYR A 97 -14.473 -3.303 1.342 1.00 0.02 O ATOM 0 H TYR A 97 -7.146 -0.010 -0.004 1.00 51.43 H new ATOM 0 HA TYR A 97 -8.054 -2.017 1.816 1.00 34.11 H new ATOM 0 HB2 TYR A 97 -9.300 0.040 1.463 1.00 12.13 H new ATOM 0 HB3 TYR A 97 -9.389 -0.233 -0.266 1.00 12.13 H new ATOM 0 HD1 TYR A 97 -11.447 -1.041 -1.125 1.00 45.32 H new ATOM 0 HD2 TYR A 97 -10.451 -1.972 2.933 1.00 12.52 H new ATOM 0 HE1 TYR A 97 -13.614 -2.155 -0.845 1.00 13.40 H new ATOM 0 HE2 TYR A 97 -12.628 -3.082 3.201 1.00 34.11 H new ATOM 0 HH TYR A 97 -14.552 -3.655 2.253 1.00 0.02 H new ATOM 1502 N LEU A 98 -8.070 -2.793 -1.399 1.00 74.13 N ATOM 1503 CA LEU A 98 -8.201 -3.897 -2.379 1.00 73.25 C ATOM 1504 C LEU A 98 -6.849 -4.609 -2.620 1.00 41.13 C ATOM 1505 O LEU A 98 -6.784 -5.613 -3.347 1.00 4.10 O ATOM 1506 CB LEU A 98 -8.823 -3.355 -3.695 1.00 22.42 C ATOM 1507 CG LEU A 98 -10.258 -2.740 -3.559 1.00 11.31 C ATOM 1508 CD1 LEU A 98 -10.795 -2.241 -4.915 1.00 40.42 C ATOM 1509 CD2 LEU A 98 -11.235 -3.744 -2.904 1.00 34.01 C ATOM 0 H LEU A 98 -7.752 -1.916 -1.811 1.00 74.13 H new ATOM 0 HA LEU A 98 -8.872 -4.653 -1.971 1.00 73.25 H new ATOM 0 HB2 LEU A 98 -8.158 -2.595 -4.105 1.00 22.42 H new ATOM 0 HB3 LEU A 98 -8.862 -4.168 -4.420 1.00 22.42 H new ATOM 0 HG LEU A 98 -10.180 -1.873 -2.903 1.00 11.31 H new ATOM 0 HD11 LEU A 98 -11.792 -1.822 -4.779 1.00 40.42 H new ATOM 0 HD12 LEU A 98 -10.129 -1.474 -5.310 1.00 40.42 H new ATOM 0 HD13 LEU A 98 -10.844 -3.074 -5.616 1.00 40.42 H new ATOM 0 HD21 LEU A 98 -12.223 -3.290 -2.822 1.00 34.01 H new ATOM 0 HD22 LEU A 98 -11.298 -4.643 -3.517 1.00 34.01 H new ATOM 0 HD23 LEU A 98 -10.874 -4.008 -1.910 1.00 34.01 H new ATOM 1521 N ASP A 99 -5.783 -4.077 -1.977 1.00 60.32 N ATOM 1522 CA ASP A 99 -4.411 -4.646 -1.973 1.00 25.21 C ATOM 1523 C ASP A 99 -3.819 -4.732 -3.402 1.00 12.44 C ATOM 1524 O ASP A 99 -2.981 -5.593 -3.711 1.00 72.33 O ATOM 1525 CB ASP A 99 -4.384 -6.015 -1.233 1.00 55.04 C ATOM 1526 CG ASP A 99 -3.001 -6.347 -0.633 1.00 41.35 C ATOM 1527 OD1 ASP A 99 -2.662 -5.776 0.424 1.00 12.00 O ATOM 1528 OD2 ASP A 99 -2.250 -7.166 -1.203 1.00 61.53 O ATOM 0 H ASP A 99 -5.853 -3.218 -1.432 1.00 60.32 H new ATOM 0 HA ASP A 99 -3.765 -3.965 -1.419 1.00 25.21 H new ATOM 0 HB2 ASP A 99 -5.127 -6.006 -0.436 1.00 55.04 H new ATOM 0 HB3 ASP A 99 -4.672 -6.804 -1.928 1.00 55.04 H new ATOM 1533 N ILE A 100 -4.248 -3.795 -4.267 1.00 71.34 N ATOM 1534 CA ILE A 100 -3.745 -3.672 -5.642 1.00 42.23 C ATOM 1535 C ILE A 100 -2.420 -2.899 -5.614 1.00 75.05 C ATOM 1536 O ILE A 100 -2.401 -1.665 -5.643 1.00 61.31 O ATOM 1537 CB ILE A 100 -4.780 -2.959 -6.590 1.00 21.33 C ATOM 1538 CG1 ILE A 100 -6.167 -3.661 -6.469 1.00 62.15 C ATOM 1539 CG2 ILE A 100 -4.276 -2.939 -8.067 1.00 63.41 C ATOM 1540 CD1 ILE A 100 -7.274 -3.043 -7.292 1.00 34.22 C ATOM 0 H ILE A 100 -4.956 -3.101 -4.028 1.00 71.34 H new ATOM 0 HA ILE A 100 -3.589 -4.673 -6.045 1.00 42.23 H new ATOM 0 HB ILE A 100 -4.886 -1.920 -6.279 1.00 21.33 H new ATOM 0 HG12 ILE A 100 -6.055 -4.704 -6.764 1.00 62.15 H new ATOM 0 HG13 ILE A 100 -6.469 -3.657 -5.422 1.00 62.15 H new ATOM 0 HG21 ILE A 100 -5.013 -2.440 -8.696 1.00 63.41 H new ATOM 0 HG22 ILE A 100 -3.329 -2.402 -8.121 1.00 63.41 H new ATOM 0 HG23 ILE A 100 -4.133 -3.961 -8.417 1.00 63.41 H new ATOM 0 HD11 ILE A 100 -8.197 -3.603 -7.139 1.00 34.22 H new ATOM 0 HD12 ILE A 100 -7.422 -2.008 -6.984 1.00 34.22 H new ATOM 0 HD13 ILE A 100 -7.003 -3.072 -8.347 1.00 34.22 H new ATOM 1552 N LYS A 101 -1.331 -3.668 -5.507 1.00 73.13 N ATOM 1553 CA LYS A 101 0.048 -3.147 -5.403 1.00 41.23 C ATOM 1554 C LYS A 101 0.454 -2.286 -6.639 1.00 0.24 C ATOM 1555 O LYS A 101 1.115 -1.263 -6.442 1.00 41.13 O ATOM 1556 CB LYS A 101 1.051 -4.315 -5.185 1.00 42.03 C ATOM 1557 CG LYS A 101 0.616 -5.318 -4.095 1.00 34.02 C ATOM 1558 CD LYS A 101 1.621 -6.473 -3.888 1.00 50.30 C ATOM 1559 CE LYS A 101 1.069 -7.575 -2.959 1.00 10.43 C ATOM 1560 NZ LYS A 101 0.535 -7.007 -1.695 1.00 5.15 N ATOM 0 H LYS A 101 -1.377 -4.687 -5.489 1.00 73.13 H new ATOM 0 HA LYS A 101 0.081 -2.486 -4.537 1.00 41.23 H new ATOM 0 HB2 LYS A 101 1.181 -4.850 -6.126 1.00 42.03 H new ATOM 0 HB3 LYS A 101 2.023 -3.901 -4.917 1.00 42.03 H new ATOM 0 HG2 LYS A 101 0.486 -4.786 -3.153 1.00 34.02 H new ATOM 0 HG3 LYS A 101 -0.355 -5.735 -4.362 1.00 34.02 H new ATOM 0 HD2 LYS A 101 1.873 -6.909 -4.855 1.00 50.30 H new ATOM 0 HD3 LYS A 101 2.545 -6.076 -3.467 1.00 50.30 H new ATOM 0 HE2 LYS A 101 0.281 -8.124 -3.474 1.00 10.43 H new ATOM 0 HE3 LYS A 101 1.860 -8.290 -2.732 1.00 10.43 H new ATOM 0 HZ1 LYS A 101 0.615 -7.713 -0.936 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 1.080 -6.159 -1.438 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 -0.464 -6.750 -1.825 1.00 5.15 H new ATOM 1574 N PRO A 102 0.121 -2.696 -7.939 1.00 72.11 N ATOM 1575 CA PRO A 102 0.366 -1.843 -9.140 1.00 4.33 C ATOM 1576 C PRO A 102 -0.247 -0.427 -9.022 1.00 41.33 C ATOM 1577 O PRO A 102 0.468 0.562 -9.174 1.00 1.33 O ATOM 1578 CB PRO A 102 -0.273 -2.658 -10.301 1.00 31.32 C ATOM 1579 CG PRO A 102 -0.214 -4.079 -9.847 1.00 51.31 C ATOM 1580 CD PRO A 102 -0.446 -4.029 -8.353 1.00 42.13 C ATOM 0 HA PRO A 102 1.428 -1.646 -9.287 1.00 4.33 H new ATOM 0 HB2 PRO A 102 -1.300 -2.344 -10.486 1.00 31.32 H new ATOM 0 HB3 PRO A 102 0.276 -2.517 -11.232 1.00 31.32 H new ATOM 0 HG2 PRO A 102 -0.974 -4.683 -10.343 1.00 51.31 H new ATOM 0 HG3 PRO A 102 0.752 -4.527 -10.081 1.00 51.31 H new ATOM 0 HD2 PRO A 102 -1.506 -4.104 -8.111 1.00 42.13 H new ATOM 0 HD3 PRO A 102 0.056 -4.852 -7.844 1.00 42.13 H new ATOM 1588 N LEU A 103 -1.560 -0.339 -8.715 1.00 20.03 N ATOM 1589 CA LEU A 103 -2.291 0.956 -8.639 1.00 43.31 C ATOM 1590 C LEU A 103 -1.793 1.781 -7.441 1.00 50.12 C ATOM 1591 O LEU A 103 -1.653 3.004 -7.542 1.00 42.21 O ATOM 1592 CB LEU A 103 -3.845 0.720 -8.583 1.00 60.12 C ATOM 1593 CG LEU A 103 -4.800 1.976 -8.761 1.00 24.22 C ATOM 1594 CD1 LEU A 103 -5.103 2.713 -7.440 1.00 44.33 C ATOM 1595 CD2 LEU A 103 -4.234 2.956 -9.806 1.00 45.22 C ATOM 0 H LEU A 103 -2.143 -1.152 -8.514 1.00 20.03 H new ATOM 0 HA LEU A 103 -2.086 1.528 -9.544 1.00 43.31 H new ATOM 0 HB2 LEU A 103 -4.100 -0.005 -9.356 1.00 60.12 H new ATOM 0 HB3 LEU A 103 -4.078 0.258 -7.624 1.00 60.12 H new ATOM 0 HG LEU A 103 -5.750 1.579 -9.118 1.00 24.22 H new ATOM 0 HD11 LEU A 103 -5.761 3.559 -7.638 1.00 44.33 H new ATOM 0 HD12 LEU A 103 -5.591 2.029 -6.745 1.00 44.33 H new ATOM 0 HD13 LEU A 103 -4.172 3.072 -7.002 1.00 44.33 H new ATOM 0 HD21 LEU A 103 -4.907 3.807 -9.909 1.00 45.22 H new ATOM 0 HD22 LEU A 103 -3.253 3.306 -9.483 1.00 45.22 H new ATOM 0 HD23 LEU A 103 -4.140 2.449 -10.767 1.00 45.22 H new ATOM 1607 N LEU A 104 -1.532 1.088 -6.326 1.00 25.25 N ATOM 1608 CA LEU A 104 -1.012 1.692 -5.091 1.00 30.24 C ATOM 1609 C LEU A 104 0.325 2.392 -5.360 1.00 0.34 C ATOM 1610 O LEU A 104 0.507 3.555 -4.988 1.00 42.44 O ATOM 1611 CB LEU A 104 -0.841 0.588 -4.020 1.00 34.23 C ATOM 1612 CG LEU A 104 -0.334 1.036 -2.616 1.00 14.43 C ATOM 1613 CD1 LEU A 104 -1.317 2.022 -1.943 1.00 73.23 C ATOM 1614 CD2 LEU A 104 -0.065 -0.193 -1.734 1.00 3.34 C ATOM 0 H LEU A 104 -1.677 0.081 -6.254 1.00 25.25 H new ATOM 0 HA LEU A 104 -1.717 2.440 -4.728 1.00 30.24 H new ATOM 0 HB2 LEU A 104 -1.802 0.090 -3.890 1.00 34.23 H new ATOM 0 HB3 LEU A 104 -0.147 -0.157 -4.409 1.00 34.23 H new ATOM 0 HG LEU A 104 0.605 1.574 -2.746 1.00 14.43 H new ATOM 0 HD11 LEU A 104 -0.930 2.312 -0.966 1.00 73.23 H new ATOM 0 HD12 LEU A 104 -1.428 2.909 -2.567 1.00 73.23 H new ATOM 0 HD13 LEU A 104 -2.288 1.541 -1.820 1.00 73.23 H new ATOM 0 HD21 LEU A 104 0.289 0.132 -0.756 1.00 3.34 H new ATOM 0 HD22 LEU A 104 -0.986 -0.764 -1.616 1.00 3.34 H new ATOM 0 HD23 LEU A 104 0.693 -0.819 -2.204 1.00 3.34 H new ATOM 1626 N ASP A 105 1.219 1.678 -6.061 1.00 51.53 N ATOM 1627 CA ASP A 105 2.577 2.145 -6.355 1.00 51.35 C ATOM 1628 C ASP A 105 2.543 3.346 -7.305 1.00 34.14 C ATOM 1629 O ASP A 105 3.126 4.383 -7.003 1.00 52.52 O ATOM 1630 CB ASP A 105 3.437 0.998 -6.954 1.00 72.22 C ATOM 1631 CG ASP A 105 4.928 1.364 -7.019 1.00 34.22 C ATOM 1632 OD1 ASP A 105 5.636 1.174 -6.007 1.00 41.10 O ATOM 1633 OD2 ASP A 105 5.401 1.857 -8.070 1.00 60.40 O ATOM 0 H ASP A 105 1.015 0.754 -6.441 1.00 51.53 H new ATOM 0 HA ASP A 105 3.036 2.462 -5.419 1.00 51.35 H new ATOM 0 HB2 ASP A 105 3.311 0.099 -6.351 1.00 72.22 H new ATOM 0 HB3 ASP A 105 3.078 0.762 -7.956 1.00 72.22 H new ATOM 1638 N VAL A 106 1.808 3.202 -8.427 1.00 73.12 N ATOM 1639 CA VAL A 106 1.689 4.247 -9.464 1.00 24.32 C ATOM 1640 C VAL A 106 1.129 5.560 -8.880 1.00 73.01 C ATOM 1641 O VAL A 106 1.709 6.622 -9.102 1.00 11.42 O ATOM 1642 CB VAL A 106 0.810 3.753 -10.683 1.00 53.30 C ATOM 1643 CG1 VAL A 106 0.506 4.891 -11.703 1.00 45.13 C ATOM 1644 CG2 VAL A 106 1.503 2.560 -11.394 1.00 34.12 C ATOM 0 H VAL A 106 1.279 2.356 -8.639 1.00 73.12 H new ATOM 0 HA VAL A 106 2.694 4.449 -9.836 1.00 24.32 H new ATOM 0 HB VAL A 106 -0.148 3.428 -10.277 1.00 53.30 H new ATOM 0 HG11 VAL A 106 -0.100 4.496 -12.519 1.00 45.13 H new ATOM 0 HG12 VAL A 106 -0.037 5.693 -11.203 1.00 45.13 H new ATOM 0 HG13 VAL A 106 1.442 5.281 -12.102 1.00 45.13 H new ATOM 0 HG21 VAL A 106 0.889 2.229 -12.231 1.00 34.12 H new ATOM 0 HG22 VAL A 106 2.480 2.874 -11.762 1.00 34.12 H new ATOM 0 HG23 VAL A 106 1.628 1.739 -10.688 1.00 34.12 H new ATOM 1654 N THR A 107 0.035 5.466 -8.100 1.00 61.42 N ATOM 1655 CA THR A 107 -0.640 6.647 -7.527 1.00 44.31 C ATOM 1656 C THR A 107 0.234 7.325 -6.447 1.00 62.41 C ATOM 1657 O THR A 107 0.342 8.553 -6.428 1.00 62.13 O ATOM 1658 CB THR A 107 -2.045 6.283 -6.946 1.00 15.14 C ATOM 1659 OG1 THR A 107 -2.816 5.620 -7.959 1.00 30.53 O ATOM 1660 CG2 THR A 107 -2.816 7.528 -6.468 1.00 35.23 C ATOM 0 H THR A 107 -0.402 4.579 -7.851 1.00 61.42 H new ATOM 0 HA THR A 107 -0.788 7.356 -8.341 1.00 44.31 H new ATOM 0 HB THR A 107 -1.889 5.633 -6.085 1.00 15.14 H new ATOM 0 HG1 THR A 107 -2.556 4.676 -8.003 1.00 30.53 H new ATOM 0 HG21 THR A 107 -3.786 7.226 -6.073 1.00 35.23 H new ATOM 0 HG22 THR A 107 -2.246 8.031 -5.687 1.00 35.23 H new ATOM 0 HG23 THR A 107 -2.962 8.209 -7.306 1.00 35.23 H new ATOM 1668 N CYS A 108 0.878 6.513 -5.575 1.00 4.40 N ATOM 1669 CA CYS A 108 1.773 7.030 -4.511 1.00 40.33 C ATOM 1670 C CYS A 108 3.025 7.705 -5.116 1.00 73.14 C ATOM 1671 O CYS A 108 3.543 8.680 -4.558 1.00 22.25 O ATOM 1672 CB CYS A 108 2.183 5.899 -3.540 1.00 62.23 C ATOM 1673 SG CYS A 108 0.804 5.213 -2.589 1.00 24.42 S ATOM 0 H CYS A 108 0.794 5.497 -5.587 1.00 4.40 H new ATOM 0 HA CYS A 108 1.221 7.783 -3.949 1.00 40.33 H new ATOM 0 HB2 CYS A 108 2.653 5.097 -4.109 1.00 62.23 H new ATOM 0 HB3 CYS A 108 2.934 6.282 -2.848 1.00 62.23 H new ATOM 0 HG CYS A 108 0.229 4.271 -3.276 1.00 24.42 H new ATOM 1679 N LYS A 109 3.492 7.165 -6.269 1.00 74.44 N ATOM 1680 CA LYS A 109 4.611 7.738 -7.045 1.00 41.13 C ATOM 1681 C LYS A 109 4.166 9.039 -7.726 1.00 22.53 C ATOM 1682 O LYS A 109 4.944 9.966 -7.792 1.00 4.33 O ATOM 1683 CB LYS A 109 5.188 6.714 -8.096 1.00 45.23 C ATOM 1684 CG LYS A 109 6.405 5.878 -7.606 1.00 71.12 C ATOM 1685 CD LYS A 109 6.127 5.076 -6.310 1.00 2.31 C ATOM 1686 CE LYS A 109 7.346 4.273 -5.816 1.00 75.55 C ATOM 1687 NZ LYS A 109 7.756 3.222 -6.786 1.00 75.35 N ATOM 0 H LYS A 109 3.101 6.319 -6.684 1.00 74.44 H new ATOM 0 HA LYS A 109 5.420 7.963 -6.350 1.00 41.13 H new ATOM 0 HB2 LYS A 109 4.391 6.030 -8.388 1.00 45.23 H new ATOM 0 HB3 LYS A 109 5.481 7.263 -8.991 1.00 45.23 H new ATOM 0 HG2 LYS A 109 6.701 5.186 -8.395 1.00 71.12 H new ATOM 0 HG3 LYS A 109 7.249 6.546 -7.435 1.00 71.12 H new ATOM 0 HD2 LYS A 109 5.812 5.764 -5.526 1.00 2.31 H new ATOM 0 HD3 LYS A 109 5.297 4.392 -6.486 1.00 2.31 H new ATOM 0 HE2 LYS A 109 8.181 4.952 -5.644 1.00 75.55 H new ATOM 0 HE3 LYS A 109 7.110 3.809 -4.858 1.00 75.55 H new ATOM 0 HZ1 LYS A 109 8.072 2.377 -6.269 1.00 75.35 H new ATOM 0 HZ2 LYS A 109 6.948 2.975 -7.393 1.00 75.35 H new ATOM 0 HZ3 LYS A 109 8.535 3.578 -7.375 1.00 75.35 H new ATOM 1701 N THR A 110 2.905 9.090 -8.205 1.00 63.14 N ATOM 1702 CA THR A 110 2.319 10.285 -8.857 1.00 4.13 C ATOM 1703 C THR A 110 2.273 11.481 -7.882 1.00 74.54 C ATOM 1704 O THR A 110 2.661 12.602 -8.239 1.00 11.44 O ATOM 1705 CB THR A 110 0.885 9.984 -9.421 1.00 51.30 C ATOM 1706 OG1 THR A 110 0.975 8.963 -10.426 1.00 33.33 O ATOM 1707 CG2 THR A 110 0.200 11.226 -10.026 1.00 64.21 C ATOM 0 H THR A 110 2.261 8.301 -8.151 1.00 63.14 H new ATOM 0 HA THR A 110 2.964 10.548 -9.696 1.00 4.13 H new ATOM 0 HB THR A 110 0.275 9.656 -8.580 1.00 51.30 H new ATOM 0 HG1 THR A 110 0.404 9.201 -11.186 1.00 33.33 H new ATOM 0 HG21 THR A 110 -0.787 10.952 -10.398 1.00 64.21 H new ATOM 0 HG22 THR A 110 0.099 11.995 -9.260 1.00 64.21 H new ATOM 0 HG23 THR A 110 0.804 11.610 -10.848 1.00 64.21 H new ATOM 1715 N VAL A 111 1.810 11.214 -6.642 1.00 52.05 N ATOM 1716 CA VAL A 111 1.755 12.222 -5.568 1.00 71.32 C ATOM 1717 C VAL A 111 3.187 12.648 -5.172 1.00 4.23 C ATOM 1718 O VAL A 111 3.452 13.835 -4.904 1.00 74.52 O ATOM 1719 CB VAL A 111 0.967 11.695 -4.304 1.00 65.11 C ATOM 1720 CG1 VAL A 111 0.822 12.799 -3.226 1.00 44.25 C ATOM 1721 CG2 VAL A 111 -0.426 11.146 -4.703 1.00 23.14 C ATOM 0 H VAL A 111 1.466 10.296 -6.361 1.00 52.05 H new ATOM 0 HA VAL A 111 1.213 13.087 -5.950 1.00 71.32 H new ATOM 0 HB VAL A 111 1.550 10.879 -3.877 1.00 65.11 H new ATOM 0 HG11 VAL A 111 0.275 12.403 -2.370 1.00 44.25 H new ATOM 0 HG12 VAL A 111 1.811 13.126 -2.905 1.00 44.25 H new ATOM 0 HG13 VAL A 111 0.278 13.646 -3.644 1.00 44.25 H new ATOM 0 HG21 VAL A 111 -0.945 10.790 -3.813 1.00 23.14 H new ATOM 0 HG22 VAL A 111 -1.009 11.939 -5.171 1.00 23.14 H new ATOM 0 HG23 VAL A 111 -0.305 10.322 -5.406 1.00 23.14 H new ATOM 1731 N ALA A 112 4.104 11.661 -5.175 1.00 75.32 N ATOM 1732 CA ALA A 112 5.529 11.884 -4.894 1.00 33.21 C ATOM 1733 C ALA A 112 6.182 12.744 -5.998 1.00 52.10 C ATOM 1734 O ALA A 112 7.031 13.571 -5.700 1.00 31.12 O ATOM 1735 CB ALA A 112 6.273 10.543 -4.735 1.00 73.32 C ATOM 0 H ALA A 112 3.874 10.687 -5.373 1.00 75.32 H new ATOM 0 HA ALA A 112 5.604 12.429 -3.953 1.00 33.21 H new ATOM 0 HB1 ALA A 112 7.326 10.733 -4.528 1.00 73.32 H new ATOM 0 HB2 ALA A 112 5.837 9.980 -3.910 1.00 73.32 H new ATOM 0 HB3 ALA A 112 6.183 9.966 -5.655 1.00 73.32 H new ATOM 1741 N ASN A 113 5.744 12.562 -7.270 1.00 30.33 N ATOM 1742 CA ASN A 113 6.300 13.283 -8.446 1.00 32.21 C ATOM 1743 C ASN A 113 6.033 14.795 -8.351 1.00 63.55 C ATOM 1744 O ASN A 113 6.851 15.608 -8.803 1.00 43.33 O ATOM 1745 CB ASN A 113 5.724 12.738 -9.789 1.00 4.21 C ATOM 1746 CG ASN A 113 6.143 11.305 -10.125 1.00 43.14 C ATOM 1747 OD1 ASN A 113 7.200 10.831 -9.703 1.00 41.33 O ATOM 1748 ND2 ASN A 113 5.333 10.614 -10.916 1.00 21.41 N ATOM 0 H ASN A 113 4.996 11.912 -7.510 1.00 30.33 H new ATOM 0 HA ASN A 113 7.376 13.109 -8.436 1.00 32.21 H new ATOM 0 HB2 ASN A 113 4.636 12.785 -9.748 1.00 4.21 H new ATOM 0 HB3 ASN A 113 6.041 13.395 -10.599 1.00 4.21 H new ATOM 0 HD21 ASN A 113 5.578 9.663 -11.191 1.00 21.41 H new ATOM 0 HD22 ASN A 113 4.465 11.034 -11.249 1.00 21.41 H new ATOM 1755 N MET A 114 4.880 15.149 -7.750 1.00 54.21 N ATOM 1756 CA MET A 114 4.464 16.549 -7.567 1.00 44.25 C ATOM 1757 C MET A 114 5.400 17.278 -6.586 1.00 52.42 C ATOM 1758 O MET A 114 5.716 18.460 -6.779 1.00 35.54 O ATOM 1759 CB MET A 114 3.004 16.620 -7.059 1.00 64.13 C ATOM 1760 CG MET A 114 1.975 15.899 -7.945 1.00 53.52 C ATOM 1761 SD MET A 114 0.278 16.148 -7.383 1.00 21.25 S ATOM 1762 CE MET A 114 0.409 15.755 -5.642 1.00 12.32 C ATOM 0 H MET A 114 4.213 14.472 -7.379 1.00 54.21 H new ATOM 0 HA MET A 114 4.525 17.046 -8.535 1.00 44.25 H new ATOM 0 HB2 MET A 114 2.962 16.193 -6.057 1.00 64.13 H new ATOM 0 HB3 MET A 114 2.716 17.668 -6.971 1.00 64.13 H new ATOM 0 HG2 MET A 114 2.070 16.257 -8.970 1.00 53.52 H new ATOM 0 HG3 MET A 114 2.197 14.832 -7.958 1.00 53.52 H new ATOM 0 HE1 MET A 114 -0.485 15.220 -5.321 1.00 12.32 H new ATOM 0 HE2 MET A 114 1.286 15.129 -5.475 1.00 12.32 H new ATOM 0 HE3 MET A 114 0.507 16.676 -5.067 1.00 12.32 H new ATOM 1772 N ILE A 115 5.842 16.564 -5.527 1.00 53.44 N ATOM 1773 CA ILE A 115 6.759 17.125 -4.504 1.00 44.23 C ATOM 1774 C ILE A 115 8.241 16.831 -4.850 1.00 4.33 C ATOM 1775 O ILE A 115 9.151 17.342 -4.180 1.00 70.43 O ATOM 1776 CB ILE A 115 6.431 16.581 -3.056 1.00 2.41 C ATOM 1777 CG1 ILE A 115 6.717 15.047 -2.943 1.00 11.32 C ATOM 1778 CG2 ILE A 115 4.964 16.909 -2.665 1.00 54.21 C ATOM 1779 CD1 ILE A 115 6.616 14.475 -1.542 1.00 1.41 C ATOM 0 H ILE A 115 5.578 15.594 -5.356 1.00 53.44 H new ATOM 0 HA ILE A 115 6.604 18.204 -4.508 1.00 44.23 H new ATOM 0 HB ILE A 115 7.091 17.087 -2.351 1.00 2.41 H new ATOM 0 HG12 ILE A 115 6.018 14.514 -3.587 1.00 11.32 H new ATOM 0 HG13 ILE A 115 7.718 14.850 -3.328 1.00 11.32 H new ATOM 0 HG21 ILE A 115 4.760 16.526 -1.665 1.00 54.21 H new ATOM 0 HG22 ILE A 115 4.817 17.989 -2.677 1.00 54.21 H new ATOM 0 HG23 ILE A 115 4.284 16.443 -3.378 1.00 54.21 H new ATOM 0 HD11 ILE A 115 6.831 13.407 -1.569 1.00 1.41 H new ATOM 0 HD12 ILE A 115 7.335 14.974 -0.893 1.00 1.41 H new ATOM 0 HD13 ILE A 115 5.609 14.633 -1.156 1.00 1.41 H new ATOM 1791 N ARG A 116 8.475 15.984 -5.881 1.00 44.53 N ATOM 1792 CA ARG A 116 9.832 15.621 -6.339 1.00 14.31 C ATOM 1793 C ARG A 116 10.487 16.792 -7.084 1.00 35.53 C ATOM 1794 O ARG A 116 10.284 16.975 -8.288 1.00 74.44 O ATOM 1795 CB ARG A 116 9.817 14.313 -7.217 1.00 74.11 C ATOM 1796 CG ARG A 116 10.056 12.994 -6.421 1.00 35.43 C ATOM 1797 CD ARG A 116 11.554 12.641 -6.253 1.00 43.24 C ATOM 1798 NE ARG A 116 12.404 13.807 -5.887 1.00 22.24 N ATOM 1799 CZ ARG A 116 13.074 13.956 -4.736 1.00 22.43 C ATOM 1800 NH1 ARG A 116 13.037 13.019 -3.795 1.00 2.15 N ATOM 1801 NH2 ARG A 116 13.795 15.053 -4.547 1.00 64.23 N ATOM 0 H ARG A 116 7.730 15.536 -6.415 1.00 44.53 H new ATOM 0 HA ARG A 116 10.435 15.406 -5.457 1.00 14.31 H new ATOM 0 HB2 ARG A 116 8.856 14.245 -7.727 1.00 74.11 H new ATOM 0 HB3 ARG A 116 10.582 14.400 -7.988 1.00 74.11 H new ATOM 0 HG2 ARG A 116 9.599 13.085 -5.436 1.00 35.43 H new ATOM 0 HG3 ARG A 116 9.552 12.174 -6.932 1.00 35.43 H new ATOM 0 HD2 ARG A 116 11.654 11.874 -5.485 1.00 43.24 H new ATOM 0 HD3 ARG A 116 11.924 12.210 -7.184 1.00 43.24 H new ATOM 0 HE ARG A 116 12.483 14.558 -6.572 1.00 22.24 H new ATOM 0 HH11 ARG A 116 12.492 12.169 -3.943 1.00 2.15 H new ATOM 0 HH12 ARG A 116 13.553 13.149 -2.925 1.00 2.15 H new ATOM 0 HH21 ARG A 116 13.834 15.769 -5.272 1.00 64.23 H new ATOM 0 HH22 ARG A 116 14.310 15.181 -3.676 1.00 64.23 H new ATOM 1815 N GLY A 117 11.224 17.614 -6.318 1.00 33.24 N ATOM 1816 CA GLY A 117 12.078 18.655 -6.883 1.00 55.11 C ATOM 1817 C GLY A 117 13.405 18.077 -7.388 1.00 11.35 C ATOM 1818 O GLY A 117 13.967 18.589 -8.355 1.00 40.30 O ATOM 1819 OXT GLY A 117 13.898 17.108 -6.801 1.00 38.14 O ATOM 0 H GLY A 117 11.240 17.571 -5.299 1.00 33.24 H new ATOM 0 HA2 GLY A 117 11.558 19.148 -7.704 1.00 55.11 H new ATOM 0 HA3 GLY A 117 12.275 19.416 -6.128 1.00 55.11 H new ATOM 1824 N SER B 2 15.556 -13.893 17.862 1.00 60.10 N ATOM 1825 CA SER B 2 16.782 -13.646 17.065 1.00 74.55 C ATOM 1826 C SER B 2 16.642 -12.341 16.255 1.00 13.12 C ATOM 1827 O SER B 2 15.567 -12.057 15.721 1.00 74.11 O ATOM 1828 CB SER B 2 17.045 -14.842 16.126 1.00 32.01 C ATOM 1829 OG SER B 2 17.086 -16.062 16.850 1.00 15.31 O ATOM 0 HA SER B 2 17.630 -13.538 17.742 1.00 74.55 H new ATOM 0 HB2 SER B 2 16.263 -14.892 15.368 1.00 32.01 H new ATOM 0 HB3 SER B 2 17.989 -14.695 15.601 1.00 32.01 H new ATOM 0 HG SER B 2 16.541 -15.980 17.660 1.00 15.31 H new ATOM 1837 N LEU B 3 17.738 -11.565 16.163 1.00 52.02 N ATOM 1838 CA LEU B 3 17.783 -10.297 15.412 1.00 4.42 C ATOM 1839 C LEU B 3 18.224 -10.546 13.960 1.00 52.13 C ATOM 1840 O LEU B 3 19.295 -11.122 13.729 1.00 34.41 O ATOM 1841 CB LEU B 3 18.781 -9.316 16.086 1.00 41.54 C ATOM 1842 CG LEU B 3 18.501 -8.961 17.582 1.00 24.31 C ATOM 1843 CD1 LEU B 3 19.687 -8.193 18.201 1.00 5.03 C ATOM 1844 CD2 LEU B 3 17.180 -8.174 17.733 1.00 70.22 C ATOM 0 H LEU B 3 18.623 -11.802 16.611 1.00 52.02 H new ATOM 0 HA LEU B 3 16.783 -9.863 15.413 1.00 4.42 H new ATOM 0 HB2 LEU B 3 19.781 -9.745 16.018 1.00 41.54 H new ATOM 0 HB3 LEU B 3 18.791 -8.390 15.511 1.00 41.54 H new ATOM 0 HG LEU B 3 18.390 -9.896 18.131 1.00 24.31 H new ATOM 0 HD11 LEU B 3 19.465 -7.959 19.242 1.00 5.03 H new ATOM 0 HD12 LEU B 3 20.585 -8.809 18.151 1.00 5.03 H new ATOM 0 HD13 LEU B 3 19.850 -7.268 17.648 1.00 5.03 H new ATOM 0 HD21 LEU B 3 17.013 -7.942 18.785 1.00 70.22 H new ATOM 0 HD22 LEU B 3 17.241 -7.247 17.162 1.00 70.22 H new ATOM 0 HD23 LEU B 3 16.353 -8.777 17.359 1.00 70.22 H new ATOM 1856 N VAL B 4 17.386 -10.140 12.992 1.00 11.33 N ATOM 1857 CA VAL B 4 17.784 -10.056 11.578 1.00 42.31 C ATOM 1858 C VAL B 4 18.339 -8.645 11.304 1.00 32.43 C ATOM 1859 O VAL B 4 17.741 -7.634 11.705 1.00 52.04 O ATOM 1860 CB VAL B 4 16.609 -10.414 10.583 1.00 73.24 C ATOM 1861 CG1 VAL B 4 16.227 -11.910 10.704 1.00 70.02 C ATOM 1862 CG2 VAL B 4 15.370 -9.504 10.792 1.00 54.14 C ATOM 0 H VAL B 4 16.420 -9.863 13.166 1.00 11.33 H new ATOM 0 HA VAL B 4 18.557 -10.803 11.396 1.00 42.31 H new ATOM 0 HB VAL B 4 16.972 -10.230 9.572 1.00 73.24 H new ATOM 0 HG11 VAL B 4 15.417 -12.136 10.011 1.00 70.02 H new ATOM 0 HG12 VAL B 4 17.093 -12.527 10.464 1.00 70.02 H new ATOM 0 HG13 VAL B 4 15.903 -12.121 11.723 1.00 70.02 H new ATOM 0 HG21 VAL B 4 14.588 -9.786 10.087 1.00 54.14 H new ATOM 0 HG22 VAL B 4 15.000 -9.622 11.810 1.00 54.14 H new ATOM 0 HG23 VAL B 4 15.650 -8.464 10.626 1.00 54.14 H new ATOM 1872 N LYS B 5 19.509 -8.599 10.664 1.00 35.05 N ATOM 1873 CA LYS B 5 20.247 -7.360 10.415 1.00 25.44 C ATOM 1874 C LYS B 5 19.744 -6.700 9.120 1.00 5.51 C ATOM 1875 O LYS B 5 20.179 -7.061 8.023 1.00 72.31 O ATOM 1876 CB LYS B 5 21.765 -7.674 10.336 1.00 32.24 C ATOM 1877 CG LYS B 5 22.352 -8.302 11.616 1.00 30.20 C ATOM 1878 CD LYS B 5 23.880 -8.510 11.524 1.00 4.10 C ATOM 1879 CE LYS B 5 24.488 -9.084 12.815 1.00 12.54 C ATOM 1880 NZ LYS B 5 25.955 -9.247 12.714 1.00 13.25 N ATOM 0 H LYS B 5 19.975 -9.430 10.300 1.00 35.05 H new ATOM 0 HA LYS B 5 20.081 -6.659 11.233 1.00 25.44 H new ATOM 0 HB2 LYS B 5 21.941 -8.351 9.500 1.00 32.24 H new ATOM 0 HB3 LYS B 5 22.304 -6.752 10.118 1.00 32.24 H new ATOM 0 HG2 LYS B 5 22.126 -7.661 12.468 1.00 30.20 H new ATOM 0 HG3 LYS B 5 21.868 -9.261 11.801 1.00 30.20 H new ATOM 0 HD2 LYS B 5 24.100 -9.183 10.695 1.00 4.10 H new ATOM 0 HD3 LYS B 5 24.358 -7.557 11.297 1.00 4.10 H new ATOM 0 HE2 LYS B 5 24.254 -8.424 13.650 1.00 12.54 H new ATOM 0 HE3 LYS B 5 24.030 -10.049 13.033 1.00 12.54 H new ATOM 0 HZ1 LYS B 5 26.323 -9.636 13.605 1.00 13.25 H new ATOM 0 HZ2 LYS B 5 26.179 -9.897 11.934 1.00 13.25 H new ATOM 0 HZ3 LYS B 5 26.395 -8.323 12.532 1.00 13.25 H new ATOM 1894 N LEU B 6 18.797 -5.757 9.252 1.00 31.24 N ATOM 1895 CA LEU B 6 18.214 -5.055 8.101 1.00 20.22 C ATOM 1896 C LEU B 6 18.979 -3.755 7.849 1.00 15.02 C ATOM 1897 O LEU B 6 18.697 -2.720 8.469 1.00 14.53 O ATOM 1898 CB LEU B 6 16.703 -4.787 8.327 1.00 61.30 C ATOM 1899 CG LEU B 6 15.808 -6.054 8.526 1.00 52.40 C ATOM 1900 CD1 LEU B 6 14.330 -5.668 8.693 1.00 5.35 C ATOM 1901 CD2 LEU B 6 15.994 -7.067 7.368 1.00 43.34 C ATOM 0 H LEU B 6 18.418 -5.463 10.152 1.00 31.24 H new ATOM 0 HA LEU B 6 18.303 -5.686 7.216 1.00 20.22 H new ATOM 0 HB2 LEU B 6 16.594 -4.148 9.203 1.00 61.30 H new ATOM 0 HB3 LEU B 6 16.321 -4.226 7.474 1.00 61.30 H new ATOM 0 HG LEU B 6 16.131 -6.543 9.445 1.00 52.40 H new ATOM 0 HD11 LEU B 6 13.732 -6.569 8.830 1.00 5.35 H new ATOM 0 HD12 LEU B 6 14.219 -5.023 9.565 1.00 5.35 H new ATOM 0 HD13 LEU B 6 13.990 -5.138 7.803 1.00 5.35 H new ATOM 0 HD21 LEU B 6 15.357 -7.935 7.538 1.00 43.34 H new ATOM 0 HD22 LEU B 6 15.720 -6.595 6.424 1.00 43.34 H new ATOM 0 HD23 LEU B 6 17.036 -7.384 7.326 1.00 43.34 H new ATOM 1913 N GLU B 7 19.988 -3.836 6.970 1.00 63.21 N ATOM 1914 CA GLU B 7 20.762 -2.667 6.543 1.00 15.24 C ATOM 1915 C GLU B 7 19.939 -1.837 5.545 1.00 20.51 C ATOM 1916 O GLU B 7 19.289 -2.390 4.659 1.00 64.33 O ATOM 1917 CB GLU B 7 22.113 -3.108 5.921 1.00 74.42 C ATOM 1918 CG GLU B 7 22.986 -1.934 5.420 1.00 0.20 C ATOM 1919 CD GLU B 7 24.352 -2.361 4.864 1.00 62.03 C ATOM 1920 OE1 GLU B 7 24.388 -3.210 3.948 1.00 63.04 O ATOM 1921 OE2 GLU B 7 25.393 -1.846 5.329 1.00 14.33 O ATOM 0 H GLU B 7 20.288 -4.710 6.538 1.00 63.21 H new ATOM 0 HA GLU B 7 20.983 -2.047 7.412 1.00 15.24 H new ATOM 0 HB2 GLU B 7 22.675 -3.675 6.663 1.00 74.42 H new ATOM 0 HB3 GLU B 7 21.915 -3.782 5.088 1.00 74.42 H new ATOM 0 HG2 GLU B 7 22.442 -1.396 4.644 1.00 0.20 H new ATOM 0 HG3 GLU B 7 23.143 -1.235 6.242 1.00 0.20 H new ATOM 1928 N SER B 8 19.953 -0.515 5.732 1.00 54.21 N ATOM 1929 CA SER B 8 19.261 0.435 4.856 1.00 24.22 C ATOM 1930 C SER B 8 20.124 0.759 3.619 1.00 74.32 C ATOM 1931 O SER B 8 21.277 0.310 3.515 1.00 54.15 O ATOM 1932 CB SER B 8 18.952 1.720 5.659 1.00 3.11 C ATOM 1933 OG SER B 8 20.137 2.285 6.211 1.00 12.02 O ATOM 0 H SER B 8 20.450 -0.069 6.503 1.00 54.21 H new ATOM 0 HA SER B 8 18.329 -0.005 4.503 1.00 24.22 H new ATOM 0 HB2 SER B 8 18.468 2.449 5.009 1.00 3.11 H new ATOM 0 HB3 SER B 8 18.249 1.490 6.460 1.00 3.11 H new ATOM 0 HG SER B 8 20.390 1.791 7.018 1.00 12.02 H new ATOM 1939 N SER B 9 19.559 1.552 2.691 1.00 35.41 N ATOM 1940 CA SER B 9 20.300 2.111 1.545 1.00 10.44 C ATOM 1941 C SER B 9 21.389 3.099 2.025 1.00 32.04 C ATOM 1942 O SER B 9 22.383 3.322 1.332 1.00 35.41 O ATOM 1943 CB SER B 9 19.313 2.804 0.574 1.00 2.24 C ATOM 1944 OG SER B 9 18.532 3.792 1.233 1.00 74.31 O ATOM 0 H SER B 9 18.576 1.824 2.714 1.00 35.41 H new ATOM 0 HA SER B 9 20.800 1.299 1.017 1.00 10.44 H new ATOM 0 HB2 SER B 9 19.869 3.265 -0.242 1.00 2.24 H new ATOM 0 HB3 SER B 9 18.655 2.057 0.130 1.00 2.24 H new ATOM 0 HG SER B 9 17.922 4.209 0.590 1.00 74.31 H new ATOM 1950 N ASP B 10 21.182 3.655 3.240 1.00 45.44 N ATOM 1951 CA ASP B 10 22.115 4.604 3.895 1.00 23.23 C ATOM 1952 C ASP B 10 23.226 3.848 4.681 1.00 2.42 C ATOM 1953 O ASP B 10 24.001 4.463 5.423 1.00 4.12 O ATOM 1954 CB ASP B 10 21.289 5.550 4.820 1.00 45.44 C ATOM 1955 CG ASP B 10 22.080 6.762 5.355 1.00 55.03 C ATOM 1956 OD1 ASP B 10 22.467 6.774 6.551 1.00 23.11 O ATOM 1957 OD2 ASP B 10 22.331 7.703 4.577 1.00 64.34 O ATOM 0 H ASP B 10 20.354 3.456 3.801 1.00 45.44 H new ATOM 0 HA ASP B 10 22.627 5.201 3.140 1.00 23.23 H new ATOM 0 HB2 ASP B 10 20.421 5.912 4.269 1.00 45.44 H new ATOM 0 HB3 ASP B 10 20.912 4.975 5.666 1.00 45.44 H new ATOM 1962 N GLU B 11 23.278 2.499 4.508 1.00 71.00 N ATOM 1963 CA GLU B 11 24.351 1.608 5.037 1.00 73.21 C ATOM 1964 C GLU B 11 24.311 1.429 6.574 1.00 62.30 C ATOM 1965 O GLU B 11 25.220 0.812 7.157 1.00 22.20 O ATOM 1966 CB GLU B 11 25.760 2.079 4.575 1.00 24.03 C ATOM 1967 CG GLU B 11 25.988 2.023 3.051 1.00 52.43 C ATOM 1968 CD GLU B 11 27.334 2.629 2.605 1.00 72.34 C ATOM 1969 OE1 GLU B 11 28.391 2.190 3.104 1.00 64.04 O ATOM 1970 OE2 GLU B 11 27.350 3.523 1.727 1.00 35.21 O ATOM 0 H GLU B 11 22.563 1.990 3.988 1.00 71.00 H new ATOM 0 HA GLU B 11 24.150 0.626 4.610 1.00 73.21 H new ATOM 0 HB2 GLU B 11 25.916 3.103 4.915 1.00 24.03 H new ATOM 0 HB3 GLU B 11 26.514 1.462 5.065 1.00 24.03 H new ATOM 0 HG2 GLU B 11 25.940 0.985 2.723 1.00 52.43 H new ATOM 0 HG3 GLU B 11 25.177 2.553 2.551 1.00 52.43 H new ATOM 1977 N LYS B 12 23.261 1.949 7.227 1.00 30.54 N ATOM 1978 CA LYS B 12 23.067 1.787 8.675 1.00 53.43 C ATOM 1979 C LYS B 12 22.194 0.551 8.930 1.00 23.41 C ATOM 1980 O LYS B 12 21.082 0.445 8.400 1.00 43.34 O ATOM 1981 CB LYS B 12 22.445 3.066 9.291 1.00 62.44 C ATOM 1982 CG LYS B 12 23.362 4.308 9.185 1.00 1.23 C ATOM 1983 CD LYS B 12 22.783 5.553 9.900 1.00 62.42 C ATOM 1984 CE LYS B 12 23.729 6.763 9.840 1.00 33.01 C ATOM 1985 NZ LYS B 12 23.164 7.957 10.524 1.00 30.04 N ATOM 0 H LYS B 12 22.527 2.490 6.770 1.00 30.54 H new ATOM 0 HA LYS B 12 24.032 1.637 9.160 1.00 53.43 H new ATOM 0 HB2 LYS B 12 21.500 3.278 8.792 1.00 62.44 H new ATOM 0 HB3 LYS B 12 22.217 2.881 10.341 1.00 62.44 H new ATOM 0 HG2 LYS B 12 24.336 4.071 9.613 1.00 1.23 H new ATOM 0 HG3 LYS B 12 23.525 4.543 8.133 1.00 1.23 H new ATOM 0 HD2 LYS B 12 21.830 5.819 9.443 1.00 62.42 H new ATOM 0 HD3 LYS B 12 22.580 5.307 10.942 1.00 62.42 H new ATOM 0 HE2 LYS B 12 24.681 6.500 10.301 1.00 33.01 H new ATOM 0 HE3 LYS B 12 23.936 7.008 8.798 1.00 33.01 H new ATOM 0 HZ1 LYS B 12 23.838 8.747 10.457 1.00 30.04 H new ATOM 0 HZ2 LYS B 12 22.268 8.226 10.069 1.00 30.04 H new ATOM 0 HZ3 LYS B 12 22.991 7.734 11.525 1.00 30.04 H new ATOM 1999 N VAL B 13 22.734 -0.378 9.729 1.00 24.03 N ATOM 2000 CA VAL B 13 22.104 -1.670 10.029 1.00 11.25 C ATOM 2001 C VAL B 13 21.167 -1.536 11.241 1.00 51.23 C ATOM 2002 O VAL B 13 21.592 -1.097 12.314 1.00 44.03 O ATOM 2003 CB VAL B 13 23.190 -2.769 10.315 1.00 51.10 C ATOM 2004 CG1 VAL B 13 22.544 -4.154 10.559 1.00 13.41 C ATOM 2005 CG2 VAL B 13 24.252 -2.830 9.181 1.00 1.33 C ATOM 0 H VAL B 13 23.634 -0.251 10.192 1.00 24.03 H new ATOM 0 HA VAL B 13 21.523 -1.974 9.158 1.00 11.25 H new ATOM 0 HB VAL B 13 23.707 -2.484 11.231 1.00 51.10 H new ATOM 0 HG11 VAL B 13 23.324 -4.890 10.754 1.00 13.41 H new ATOM 0 HG12 VAL B 13 21.876 -4.098 11.418 1.00 13.41 H new ATOM 0 HG13 VAL B 13 21.977 -4.451 9.677 1.00 13.41 H new ATOM 0 HG21 VAL B 13 24.987 -3.601 9.412 1.00 1.33 H new ATOM 0 HG22 VAL B 13 23.762 -3.067 8.236 1.00 1.33 H new ATOM 0 HG23 VAL B 13 24.752 -1.865 9.098 1.00 1.33 H new ATOM 2015 N PHE B 14 19.892 -1.896 11.047 1.00 0.14 N ATOM 2016 CA PHE B 14 18.873 -1.922 12.109 1.00 54.12 C ATOM 2017 C PHE B 14 18.531 -3.383 12.429 1.00 51.20 C ATOM 2018 O PHE B 14 17.831 -4.051 11.657 1.00 20.42 O ATOM 2019 CB PHE B 14 17.611 -1.133 11.675 1.00 61.23 C ATOM 2020 CG PHE B 14 17.866 0.357 11.460 1.00 11.32 C ATOM 2021 CD1 PHE B 14 17.626 1.280 12.481 1.00 45.53 C ATOM 2022 CD2 PHE B 14 18.358 0.827 10.244 1.00 74.13 C ATOM 2023 CE1 PHE B 14 17.874 2.625 12.288 1.00 43.23 C ATOM 2024 CE2 PHE B 14 18.603 2.168 10.054 1.00 71.50 C ATOM 2025 CZ PHE B 14 18.360 3.069 11.075 1.00 14.51 C ATOM 0 H PHE B 14 19.532 -2.182 10.136 1.00 0.14 H new ATOM 0 HA PHE B 14 19.263 -1.440 13.006 1.00 54.12 H new ATOM 0 HB2 PHE B 14 17.223 -1.564 10.752 1.00 61.23 H new ATOM 0 HB3 PHE B 14 16.838 -1.255 12.433 1.00 61.23 H new ATOM 0 HD1 PHE B 14 17.243 0.938 13.431 1.00 45.53 H new ATOM 0 HD2 PHE B 14 18.549 0.131 9.441 1.00 74.13 H new ATOM 0 HE1 PHE B 14 17.688 3.329 13.086 1.00 43.23 H new ATOM 0 HE2 PHE B 14 18.986 2.517 9.106 1.00 71.50 H new ATOM 0 HZ PHE B 14 18.551 4.121 10.923 1.00 14.51 H new ATOM 2035 N GLU B 15 19.081 -3.881 13.546 1.00 53.03 N ATOM 2036 CA GLU B 15 18.873 -5.263 14.001 1.00 0.33 C ATOM 2037 C GLU B 15 17.536 -5.373 14.749 1.00 63.02 C ATOM 2038 O GLU B 15 17.442 -5.043 15.939 1.00 0.22 O ATOM 2039 CB GLU B 15 20.053 -5.708 14.897 1.00 2.12 C ATOM 2040 CG GLU B 15 21.423 -5.587 14.212 1.00 70.23 C ATOM 2041 CD GLU B 15 22.578 -6.056 15.106 1.00 52.01 C ATOM 2042 OE1 GLU B 15 22.835 -7.272 15.157 1.00 61.44 O ATOM 2043 OE2 GLU B 15 23.231 -5.213 15.758 1.00 43.34 O ATOM 0 H GLU B 15 19.684 -3.335 14.161 1.00 53.03 H new ATOM 0 HA GLU B 15 18.834 -5.926 13.137 1.00 0.33 H new ATOM 0 HB2 GLU B 15 20.056 -5.106 15.806 1.00 2.12 H new ATOM 0 HB3 GLU B 15 19.898 -6.743 15.201 1.00 2.12 H new ATOM 0 HG2 GLU B 15 21.418 -6.175 13.294 1.00 70.23 H new ATOM 0 HG3 GLU B 15 21.590 -4.549 13.925 1.00 70.23 H new ATOM 2050 N ILE B 16 16.500 -5.771 14.011 1.00 21.32 N ATOM 2051 CA ILE B 16 15.144 -5.970 14.545 1.00 24.33 C ATOM 2052 C ILE B 16 14.900 -7.483 14.675 1.00 44.52 C ATOM 2053 O ILE B 16 15.512 -8.263 13.941 1.00 52.51 O ATOM 2054 CB ILE B 16 14.067 -5.300 13.590 1.00 13.01 C ATOM 2055 CG1 ILE B 16 12.635 -5.274 14.225 1.00 1.42 C ATOM 2056 CG2 ILE B 16 14.040 -5.996 12.208 1.00 13.31 C ATOM 2057 CD1 ILE B 16 12.515 -4.454 15.499 1.00 10.24 C ATOM 0 H ILE B 16 16.575 -5.968 13.013 1.00 21.32 H new ATOM 0 HA ILE B 16 15.050 -5.496 15.522 1.00 24.33 H new ATOM 0 HB ILE B 16 14.374 -4.263 13.452 1.00 13.01 H new ATOM 0 HG12 ILE B 16 11.934 -4.880 13.489 1.00 1.42 H new ATOM 0 HG13 ILE B 16 12.330 -6.298 14.439 1.00 1.42 H new ATOM 0 HG21 ILE B 16 13.294 -5.517 11.574 1.00 13.31 H new ATOM 0 HG22 ILE B 16 15.021 -5.913 11.740 1.00 13.31 H new ATOM 0 HG23 ILE B 16 13.786 -7.048 12.336 1.00 13.31 H new ATOM 0 HD11 ILE B 16 11.489 -4.496 15.863 1.00 10.24 H new ATOM 0 HD12 ILE B 16 13.186 -4.859 16.257 1.00 10.24 H new ATOM 0 HD13 ILE B 16 12.784 -3.418 15.292 1.00 10.24 H new ATOM 2069 N GLU B 17 14.038 -7.905 15.616 1.00 61.33 N ATOM 2070 CA GLU B 17 13.700 -9.329 15.792 1.00 1.32 C ATOM 2071 C GLU B 17 12.938 -9.847 14.555 1.00 55.02 C ATOM 2072 O GLU B 17 12.145 -9.111 13.953 1.00 23.11 O ATOM 2073 CB GLU B 17 12.874 -9.533 17.086 1.00 63.10 C ATOM 2074 CG GLU B 17 13.558 -8.988 18.352 1.00 71.42 C ATOM 2075 CD GLU B 17 12.745 -9.231 19.631 1.00 55.13 C ATOM 2076 OE1 GLU B 17 12.807 -10.355 20.175 1.00 24.35 O ATOM 2077 OE2 GLU B 17 12.049 -8.305 20.099 1.00 1.30 O ATOM 0 H GLU B 17 13.562 -7.280 16.267 1.00 61.33 H new ATOM 0 HA GLU B 17 14.621 -9.904 15.891 1.00 1.32 H new ATOM 0 HB2 GLU B 17 11.906 -9.045 16.969 1.00 63.10 H new ATOM 0 HB3 GLU B 17 12.681 -10.598 17.218 1.00 63.10 H new ATOM 0 HG2 GLU B 17 14.537 -9.455 18.458 1.00 71.42 H new ATOM 0 HG3 GLU B 17 13.726 -7.918 18.234 1.00 71.42 H new ATOM 2084 N LYS B 18 13.211 -11.102 14.181 1.00 62.13 N ATOM 2085 CA LYS B 18 12.666 -11.730 12.963 1.00 32.34 C ATOM 2086 C LYS B 18 11.135 -11.862 13.053 1.00 13.53 C ATOM 2087 O LYS B 18 10.432 -11.609 12.082 1.00 13.34 O ATOM 2088 CB LYS B 18 13.317 -13.118 12.745 1.00 23.31 C ATOM 2089 CG LYS B 18 12.847 -13.859 11.464 1.00 45.25 C ATOM 2090 CD LYS B 18 13.518 -15.239 11.285 1.00 73.12 C ATOM 2091 CE LYS B 18 13.285 -16.177 12.485 1.00 32.41 C ATOM 2092 NZ LYS B 18 13.885 -17.508 12.269 1.00 31.31 N ATOM 0 H LYS B 18 13.821 -11.719 14.717 1.00 62.13 H new ATOM 0 HA LYS B 18 12.901 -11.092 12.111 1.00 32.34 H new ATOM 0 HB2 LYS B 18 14.399 -12.994 12.701 1.00 23.31 H new ATOM 0 HB3 LYS B 18 13.103 -13.745 13.611 1.00 23.31 H new ATOM 0 HG2 LYS B 18 11.765 -13.989 11.502 1.00 45.25 H new ATOM 0 HG3 LYS B 18 13.063 -13.240 10.593 1.00 45.25 H new ATOM 0 HD2 LYS B 18 13.133 -15.711 10.381 1.00 73.12 H new ATOM 0 HD3 LYS B 18 14.590 -15.101 11.141 1.00 73.12 H new ATOM 0 HE2 LYS B 18 13.710 -15.729 13.383 1.00 32.41 H new ATOM 0 HE3 LYS B 18 12.214 -16.285 12.658 1.00 32.41 H new ATOM 0 HZ1 LYS B 18 13.706 -18.108 13.099 1.00 31.31 H new ATOM 0 HZ2 LYS B 18 13.462 -17.947 11.426 1.00 31.31 H new ATOM 0 HZ3 LYS B 18 14.911 -17.408 12.129 1.00 31.31 H new ATOM 2106 N GLU B 19 10.650 -12.243 14.255 1.00 22.31 N ATOM 2107 CA GLU B 19 9.206 -12.363 14.579 1.00 4.32 C ATOM 2108 C GLU B 19 8.439 -11.040 14.325 1.00 21.30 C ATOM 2109 O GLU B 19 7.228 -11.044 14.061 1.00 64.45 O ATOM 2110 CB GLU B 19 9.051 -12.814 16.064 1.00 22.01 C ATOM 2111 CG GLU B 19 9.785 -11.917 17.098 1.00 0.23 C ATOM 2112 CD GLU B 19 9.714 -12.456 18.541 1.00 71.33 C ATOM 2113 OE1 GLU B 19 10.252 -13.557 18.792 1.00 73.44 O ATOM 2114 OE2 GLU B 19 9.139 -11.789 19.426 1.00 22.12 O ATOM 0 H GLU B 19 11.256 -12.480 15.040 1.00 22.31 H new ATOM 0 HA GLU B 19 8.767 -13.111 13.918 1.00 4.32 H new ATOM 0 HB2 GLU B 19 7.990 -12.837 16.313 1.00 22.01 H new ATOM 0 HB3 GLU B 19 9.423 -13.834 16.160 1.00 22.01 H new ATOM 0 HG2 GLU B 19 10.831 -11.821 16.806 1.00 0.23 H new ATOM 0 HG3 GLU B 19 9.353 -10.917 17.071 1.00 0.23 H new ATOM 2121 N ILE B 20 9.163 -9.923 14.433 1.00 32.03 N ATOM 2122 CA ILE B 20 8.648 -8.583 14.137 1.00 72.45 C ATOM 2123 C ILE B 20 8.699 -8.329 12.610 1.00 41.14 C ATOM 2124 O ILE B 20 7.722 -7.863 12.010 1.00 75.03 O ATOM 2125 CB ILE B 20 9.496 -7.510 14.903 1.00 14.43 C ATOM 2126 CG1 ILE B 20 9.482 -7.793 16.445 1.00 12.41 C ATOM 2127 CG2 ILE B 20 9.024 -6.079 14.583 1.00 64.33 C ATOM 2128 CD1 ILE B 20 10.303 -6.839 17.290 1.00 24.31 C ATOM 0 H ILE B 20 10.138 -9.924 14.733 1.00 32.03 H new ATOM 0 HA ILE B 20 7.612 -8.509 14.468 1.00 72.45 H new ATOM 0 HB ILE B 20 10.527 -7.587 14.557 1.00 14.43 H new ATOM 0 HG12 ILE B 20 8.450 -7.763 16.793 1.00 12.41 H new ATOM 0 HG13 ILE B 20 9.846 -8.806 16.614 1.00 12.41 H new ATOM 0 HG21 ILE B 20 9.635 -5.363 15.132 1.00 64.33 H new ATOM 0 HG22 ILE B 20 9.122 -5.894 13.513 1.00 64.33 H new ATOM 0 HG23 ILE B 20 7.980 -5.966 14.877 1.00 64.33 H new ATOM 0 HD11 ILE B 20 10.225 -7.123 18.339 1.00 24.31 H new ATOM 0 HD12 ILE B 20 11.347 -6.883 16.979 1.00 24.31 H new ATOM 0 HD13 ILE B 20 9.928 -5.824 17.160 1.00 24.31 H new ATOM 2140 N ALA B 21 9.848 -8.683 11.996 1.00 1.31 N ATOM 2141 CA ALA B 21 10.135 -8.437 10.563 1.00 44.11 C ATOM 2142 C ALA B 21 9.354 -9.395 9.625 1.00 74.02 C ATOM 2143 O ALA B 21 9.365 -9.212 8.401 1.00 32.03 O ATOM 2144 CB ALA B 21 11.652 -8.554 10.316 1.00 2.31 C ATOM 0 H ALA B 21 10.611 -9.152 12.484 1.00 1.31 H new ATOM 0 HA ALA B 21 9.798 -7.428 10.326 1.00 44.11 H new ATOM 0 HB1 ALA B 21 11.864 -8.373 9.262 1.00 2.31 H new ATOM 0 HB2 ALA B 21 12.177 -7.817 10.923 1.00 2.31 H new ATOM 0 HB3 ALA B 21 11.989 -9.555 10.587 1.00 2.31 H new ATOM 2150 N CYS B 22 8.695 -10.421 10.209 1.00 31.43 N ATOM 2151 CA CYS B 22 7.844 -11.375 9.465 1.00 74.32 C ATOM 2152 C CYS B 22 6.538 -10.713 8.985 1.00 31.25 C ATOM 2153 O CYS B 22 5.954 -11.137 7.983 1.00 24.30 O ATOM 2154 CB CYS B 22 7.527 -12.607 10.340 1.00 74.15 C ATOM 2155 SG CYS B 22 8.970 -13.615 10.726 1.00 53.43 S ATOM 0 H CYS B 22 8.739 -10.610 11.210 1.00 31.43 H new ATOM 0 HA CYS B 22 8.399 -11.697 8.584 1.00 74.32 H new ATOM 0 HB2 CYS B 22 7.070 -12.272 11.271 1.00 74.15 H new ATOM 0 HB3 CYS B 22 6.790 -13.225 9.827 1.00 74.15 H new ATOM 0 HG CYS B 22 9.905 -12.862 11.224 1.00 53.43 H new ATOM 2161 N MET B 23 6.086 -9.673 9.713 1.00 0.53 N ATOM 2162 CA MET B 23 4.876 -8.903 9.355 1.00 61.23 C ATOM 2163 C MET B 23 5.108 -8.126 8.038 1.00 32.30 C ATOM 2164 O MET B 23 4.174 -7.881 7.265 1.00 44.13 O ATOM 2165 CB MET B 23 4.475 -7.953 10.512 1.00 71.42 C ATOM 2166 CG MET B 23 4.262 -8.660 11.864 1.00 42.12 C ATOM 2167 SD MET B 23 3.634 -7.553 13.150 1.00 25.04 S ATOM 2168 CE MET B 23 4.883 -6.278 13.160 1.00 20.55 C ATOM 0 H MET B 23 6.546 -9.343 10.562 1.00 0.53 H new ATOM 0 HA MET B 23 4.049 -9.595 9.195 1.00 61.23 H new ATOM 0 HB2 MET B 23 5.249 -7.194 10.629 1.00 71.42 H new ATOM 0 HB3 MET B 23 3.557 -7.432 10.238 1.00 71.42 H new ATOM 0 HG2 MET B 23 3.563 -9.485 11.730 1.00 42.12 H new ATOM 0 HG3 MET B 23 5.206 -9.093 12.194 1.00 42.12 H new ATOM 0 HE1 MET B 23 4.771 -5.666 14.055 1.00 20.55 H new ATOM 0 HE2 MET B 23 5.872 -6.737 13.155 1.00 20.55 H new ATOM 0 HE3 MET B 23 4.770 -5.651 12.276 1.00 20.55 H new ATOM 2178 N SER B 24 6.378 -7.764 7.798 1.00 41.04 N ATOM 2179 CA SER B 24 6.837 -7.270 6.500 1.00 21.12 C ATOM 2180 C SER B 24 6.852 -8.449 5.519 1.00 4.44 C ATOM 2181 O SER B 24 7.733 -9.306 5.608 1.00 70.44 O ATOM 2182 CB SER B 24 8.247 -6.652 6.637 1.00 1.32 C ATOM 2183 OG SER B 24 8.694 -6.119 5.406 1.00 32.04 O ATOM 0 H SER B 24 7.113 -7.808 8.503 1.00 41.04 H new ATOM 0 HA SER B 24 6.168 -6.493 6.130 1.00 21.12 H new ATOM 0 HB2 SER B 24 8.231 -5.866 7.392 1.00 1.32 H new ATOM 0 HB3 SER B 24 8.948 -7.412 6.983 1.00 1.32 H new ATOM 0 HG SER B 24 7.926 -5.971 4.815 1.00 32.04 H new ATOM 2189 N VAL B 25 5.836 -8.509 4.635 1.00 12.12 N ATOM 2190 CA VAL B 25 5.653 -9.623 3.682 1.00 61.14 C ATOM 2191 C VAL B 25 6.870 -9.758 2.746 1.00 14.03 C ATOM 2192 O VAL B 25 7.350 -10.865 2.531 1.00 62.52 O ATOM 2193 CB VAL B 25 4.324 -9.463 2.843 1.00 72.34 C ATOM 2194 CG1 VAL B 25 4.172 -10.563 1.749 1.00 75.41 C ATOM 2195 CG2 VAL B 25 3.085 -9.440 3.780 1.00 21.33 C ATOM 0 H VAL B 25 5.119 -7.787 4.561 1.00 12.12 H new ATOM 0 HA VAL B 25 5.567 -10.537 4.269 1.00 61.14 H new ATOM 0 HB VAL B 25 4.389 -8.508 2.322 1.00 72.34 H new ATOM 0 HG11 VAL B 25 3.242 -10.406 1.202 1.00 75.41 H new ATOM 0 HG12 VAL B 25 5.013 -10.508 1.058 1.00 75.41 H new ATOM 0 HG13 VAL B 25 4.154 -11.545 2.221 1.00 75.41 H new ATOM 0 HG21 VAL B 25 2.180 -9.329 3.183 1.00 21.33 H new ATOM 0 HG22 VAL B 25 3.037 -10.372 4.343 1.00 21.33 H new ATOM 0 HG23 VAL B 25 3.168 -8.602 4.472 1.00 21.33 H new ATOM 2205 N THR B 26 7.372 -8.618 2.233 1.00 20.24 N ATOM 2206 CA THR B 26 8.528 -8.581 1.319 1.00 53.14 C ATOM 2207 C THR B 26 9.803 -9.163 1.981 1.00 51.14 C ATOM 2208 O THR B 26 10.439 -10.054 1.410 1.00 32.41 O ATOM 2209 CB THR B 26 8.785 -7.121 0.824 1.00 24.41 C ATOM 2210 OG1 THR B 26 7.601 -6.631 0.169 1.00 33.11 O ATOM 2211 CG2 THR B 26 9.987 -7.007 -0.139 1.00 74.43 C ATOM 0 H THR B 26 6.987 -7.697 2.441 1.00 20.24 H new ATOM 0 HA THR B 26 8.290 -9.208 0.460 1.00 53.14 H new ATOM 0 HB THR B 26 9.026 -6.522 1.702 1.00 24.41 H new ATOM 0 HG1 THR B 26 7.748 -5.708 -0.125 1.00 33.11 H new ATOM 0 HG21 THR B 26 10.111 -5.968 -0.445 1.00 74.43 H new ATOM 0 HG22 THR B 26 10.891 -7.347 0.366 1.00 74.43 H new ATOM 0 HG23 THR B 26 9.808 -7.626 -1.019 1.00 74.43 H new ATOM 2219 N ILE B 27 10.143 -8.668 3.194 1.00 42.31 N ATOM 2220 CA ILE B 27 11.353 -9.100 3.938 1.00 63.00 C ATOM 2221 C ILE B 27 11.251 -10.586 4.336 1.00 10.02 C ATOM 2222 O ILE B 27 12.218 -11.338 4.177 1.00 33.12 O ATOM 2223 CB ILE B 27 11.595 -8.202 5.214 1.00 24.13 C ATOM 2224 CG1 ILE B 27 11.842 -6.717 4.789 1.00 42.05 C ATOM 2225 CG2 ILE B 27 12.760 -8.732 6.101 1.00 11.13 C ATOM 2226 CD1 ILE B 27 11.980 -5.734 5.940 1.00 5.03 C ATOM 0 H ILE B 27 9.592 -7.963 3.683 1.00 42.31 H new ATOM 0 HA ILE B 27 12.209 -8.978 3.274 1.00 63.00 H new ATOM 0 HB ILE B 27 10.694 -8.250 5.825 1.00 24.13 H new ATOM 0 HG12 ILE B 27 12.747 -6.674 4.184 1.00 42.05 H new ATOM 0 HG13 ILE B 27 11.018 -6.395 4.153 1.00 42.05 H new ATOM 0 HG21 ILE B 27 12.885 -8.079 6.965 1.00 11.13 H new ATOM 0 HG22 ILE B 27 12.529 -9.742 6.440 1.00 11.13 H new ATOM 0 HG23 ILE B 27 13.682 -8.746 5.520 1.00 11.13 H new ATOM 0 HD11 ILE B 27 12.149 -4.732 5.545 1.00 5.03 H new ATOM 0 HD12 ILE B 27 11.067 -5.740 6.535 1.00 5.03 H new ATOM 0 HD13 ILE B 27 12.824 -6.024 6.567 1.00 5.03 H new ATOM 2238 N LYS B 28 10.062 -10.982 4.826 1.00 32.21 N ATOM 2239 CA LYS B 28 9.765 -12.375 5.215 1.00 15.45 C ATOM 2240 C LYS B 28 9.976 -13.322 4.019 1.00 74.55 C ATOM 2241 O LYS B 28 10.662 -14.332 4.142 1.00 2.14 O ATOM 2242 CB LYS B 28 8.305 -12.484 5.726 1.00 23.23 C ATOM 2243 CG LYS B 28 7.885 -13.891 6.224 1.00 20.12 C ATOM 2244 CD LYS B 28 6.378 -13.993 6.561 1.00 41.12 C ATOM 2245 CE LYS B 28 5.469 -13.684 5.349 1.00 30.34 C ATOM 2246 NZ LYS B 28 5.674 -14.649 4.235 1.00 2.51 N ATOM 0 H LYS B 28 9.278 -10.345 4.964 1.00 32.21 H new ATOM 0 HA LYS B 28 10.445 -12.666 6.016 1.00 15.45 H new ATOM 0 HB2 LYS B 28 8.167 -11.772 6.540 1.00 23.23 H new ATOM 0 HB3 LYS B 28 7.632 -12.184 4.923 1.00 23.23 H new ATOM 0 HG2 LYS B 28 8.131 -14.628 5.460 1.00 20.12 H new ATOM 0 HG3 LYS B 28 8.467 -14.145 7.110 1.00 20.12 H new ATOM 0 HD2 LYS B 28 6.160 -14.996 6.926 1.00 41.12 H new ATOM 0 HD3 LYS B 28 6.144 -13.301 7.370 1.00 41.12 H new ATOM 0 HE2 LYS B 28 4.426 -13.710 5.663 1.00 30.34 H new ATOM 0 HE3 LYS B 28 5.670 -12.673 4.994 1.00 30.34 H new ATOM 0 HZ1 LYS B 28 5.937 -14.132 3.372 1.00 2.51 H new ATOM 0 HZ2 LYS B 28 6.434 -15.313 4.486 1.00 2.51 H new ATOM 0 HZ3 LYS B 28 4.794 -15.178 4.067 1.00 2.51 H new ATOM 2260 N ASN B 29 9.406 -12.941 2.857 1.00 54.10 N ATOM 2261 CA ASN B 29 9.498 -13.718 1.601 1.00 54.21 C ATOM 2262 C ASN B 29 10.949 -13.799 1.096 1.00 73.51 C ATOM 2263 O ASN B 29 11.322 -14.797 0.487 1.00 10.11 O ATOM 2264 CB ASN B 29 8.571 -13.122 0.497 1.00 2.42 C ATOM 2265 CG ASN B 29 7.078 -13.396 0.729 1.00 75.12 C ATOM 2266 OD1 ASN B 29 6.622 -13.575 1.860 1.00 5.30 O ATOM 2267 ND2 ASN B 29 6.305 -13.418 -0.344 1.00 32.00 N ATOM 0 H ASN B 29 8.866 -12.081 2.762 1.00 54.10 H new ATOM 0 HA ASN B 29 9.159 -14.730 1.823 1.00 54.21 H new ATOM 0 HB2 ASN B 29 8.730 -12.045 0.445 1.00 2.42 H new ATOM 0 HB3 ASN B 29 8.861 -13.534 -0.470 1.00 2.42 H new ATOM 0 HD21 ASN B 29 5.304 -13.586 -0.248 1.00 32.00 H new ATOM 0 HD22 ASN B 29 6.710 -13.267 -1.268 1.00 32.00 H new ATOM 2274 N MET B 30 11.755 -12.738 1.352 1.00 0.33 N ATOM 2275 CA MET B 30 13.193 -12.713 0.996 1.00 73.43 C ATOM 2276 C MET B 30 13.978 -13.729 1.847 1.00 2.42 C ATOM 2277 O MET B 30 14.819 -14.464 1.313 1.00 12.21 O ATOM 2278 CB MET B 30 13.804 -11.287 1.149 1.00 61.12 C ATOM 2279 CG MET B 30 13.374 -10.289 0.067 1.00 22.23 C ATOM 2280 SD MET B 30 14.126 -8.662 0.297 1.00 53.40 S ATOM 2281 CE MET B 30 13.574 -7.786 -1.166 1.00 0.13 C ATOM 0 H MET B 30 11.429 -11.885 1.806 1.00 0.33 H new ATOM 0 HA MET B 30 13.274 -12.994 -0.054 1.00 73.43 H new ATOM 0 HB2 MET B 30 13.524 -10.889 2.124 1.00 61.12 H new ATOM 0 HB3 MET B 30 14.891 -11.369 1.138 1.00 61.12 H new ATOM 0 HG2 MET B 30 13.649 -10.679 -0.913 1.00 22.23 H new ATOM 0 HG3 MET B 30 12.289 -10.190 0.078 1.00 22.23 H new ATOM 0 HE1 MET B 30 13.845 -6.733 -1.084 1.00 0.13 H new ATOM 0 HE2 MET B 30 14.049 -8.215 -2.048 1.00 0.13 H new ATOM 0 HE3 MET B 30 12.492 -7.876 -1.257 1.00 0.13 H new ATOM 2291 N ILE B 31 13.670 -13.773 3.161 1.00 13.30 N ATOM 2292 CA ILE B 31 14.297 -14.714 4.115 1.00 41.23 C ATOM 2293 C ILE B 31 13.966 -16.167 3.710 1.00 23.35 C ATOM 2294 O ILE B 31 14.854 -17.016 3.648 1.00 13.45 O ATOM 2295 CB ILE B 31 13.828 -14.431 5.602 1.00 72.05 C ATOM 2296 CG1 ILE B 31 14.236 -12.984 6.044 1.00 14.14 C ATOM 2297 CG2 ILE B 31 14.379 -15.491 6.601 1.00 63.31 C ATOM 2298 CD1 ILE B 31 13.715 -12.551 7.413 1.00 34.14 C ATOM 0 H ILE B 31 12.980 -13.157 3.591 1.00 13.30 H new ATOM 0 HA ILE B 31 15.377 -14.568 4.079 1.00 41.23 H new ATOM 0 HB ILE B 31 12.741 -14.508 5.620 1.00 72.05 H new ATOM 0 HG12 ILE B 31 15.324 -12.916 6.049 1.00 14.14 H new ATOM 0 HG13 ILE B 31 13.876 -12.278 5.296 1.00 14.14 H new ATOM 0 HG21 ILE B 31 14.032 -15.257 7.608 1.00 63.31 H new ATOM 0 HG22 ILE B 31 14.022 -16.480 6.315 1.00 63.31 H new ATOM 0 HG23 ILE B 31 15.469 -15.478 6.581 1.00 63.31 H new ATOM 0 HD11 ILE B 31 14.051 -11.536 7.626 1.00 34.14 H new ATOM 0 HD12 ILE B 31 12.625 -12.580 7.413 1.00 34.14 H new ATOM 0 HD13 ILE B 31 14.096 -13.228 8.178 1.00 34.14 H new ATOM 2310 N GLU B 32 12.677 -16.405 3.386 1.00 50.53 N ATOM 2311 CA GLU B 32 12.147 -17.740 3.017 1.00 52.20 C ATOM 2312 C GLU B 32 12.601 -18.165 1.599 1.00 54.30 C ATOM 2313 O GLU B 32 12.690 -19.367 1.308 1.00 53.11 O ATOM 2314 CB GLU B 32 10.596 -17.749 3.120 1.00 43.30 C ATOM 2315 CG GLU B 32 10.059 -17.424 4.531 1.00 30.24 C ATOM 2316 CD GLU B 32 8.520 -17.411 4.604 1.00 50.23 C ATOM 2317 OE1 GLU B 32 7.928 -18.315 5.240 1.00 2.13 O ATOM 2318 OE2 GLU B 32 7.895 -16.503 4.008 1.00 62.21 O ATOM 0 H GLU B 32 11.968 -15.672 3.372 1.00 50.53 H new ATOM 0 HA GLU B 32 12.554 -18.466 3.721 1.00 52.20 H new ATOM 0 HB2 GLU B 32 10.191 -17.026 2.413 1.00 43.30 H new ATOM 0 HB3 GLU B 32 10.228 -18.730 2.819 1.00 43.30 H new ATOM 0 HG2 GLU B 32 10.444 -18.159 5.238 1.00 30.24 H new ATOM 0 HG3 GLU B 32 10.440 -16.452 4.843 1.00 30.24 H new ATOM 2325 N ASP B 33 12.885 -17.172 0.732 1.00 23.34 N ATOM 2326 CA ASP B 33 13.403 -17.405 -0.638 1.00 65.03 C ATOM 2327 C ASP B 33 14.842 -17.949 -0.574 1.00 62.41 C ATOM 2328 O ASP B 33 15.215 -18.857 -1.329 1.00 15.32 O ATOM 2329 CB ASP B 33 13.349 -16.090 -1.465 1.00 2.42 C ATOM 2330 CG ASP B 33 13.930 -16.230 -2.879 1.00 33.34 C ATOM 2331 OD1 ASP B 33 15.075 -15.788 -3.118 1.00 64.33 O ATOM 2332 OD2 ASP B 33 13.250 -16.809 -3.750 1.00 42.50 O ATOM 0 H ASP B 33 12.763 -16.185 0.959 1.00 23.34 H new ATOM 0 HA ASP B 33 12.775 -18.146 -1.132 1.00 65.03 H new ATOM 0 HB2 ASP B 33 12.313 -15.759 -1.538 1.00 2.42 H new ATOM 0 HB3 ASP B 33 13.896 -15.312 -0.932 1.00 2.42 H new ATOM 2337 N ILE B 34 15.636 -17.362 0.340 1.00 42.15 N ATOM 2338 CA ILE B 34 16.997 -17.836 0.660 1.00 72.11 C ATOM 2339 C ILE B 34 16.918 -19.117 1.530 1.00 52.43 C ATOM 2340 O ILE B 34 17.819 -19.957 1.503 1.00 72.34 O ATOM 2341 CB ILE B 34 17.813 -16.710 1.419 1.00 3.10 C ATOM 2342 CG1 ILE B 34 17.823 -15.383 0.589 1.00 11.23 C ATOM 2343 CG2 ILE B 34 19.259 -17.167 1.744 1.00 12.01 C ATOM 2344 CD1 ILE B 34 18.482 -14.194 1.280 1.00 43.42 C ATOM 0 H ILE B 34 15.352 -16.544 0.879 1.00 42.15 H new ATOM 0 HA ILE B 34 17.514 -18.068 -0.271 1.00 72.11 H new ATOM 0 HB ILE B 34 17.310 -16.523 2.368 1.00 3.10 H new ATOM 0 HG12 ILE B 34 18.337 -15.566 -0.354 1.00 11.23 H new ATOM 0 HG13 ILE B 34 16.794 -15.117 0.345 1.00 11.23 H new ATOM 0 HG21 ILE B 34 19.785 -16.367 2.264 1.00 12.01 H new ATOM 0 HG22 ILE B 34 19.227 -18.053 2.379 1.00 12.01 H new ATOM 0 HG23 ILE B 34 19.783 -17.403 0.818 1.00 12.01 H new ATOM 0 HD11 ILE B 34 18.439 -13.323 0.626 1.00 43.42 H new ATOM 0 HD12 ILE B 34 17.956 -13.976 2.209 1.00 43.42 H new ATOM 0 HD13 ILE B 34 19.523 -14.432 1.499 1.00 43.42 H new ATOM 2356 N GLY B 35 15.800 -19.253 2.271 1.00 31.24 N ATOM 2357 CA GLY B 35 15.612 -20.315 3.257 1.00 11.24 C ATOM 2358 C GLY B 35 16.002 -19.811 4.642 1.00 45.43 C ATOM 2359 O GLY B 35 15.136 -19.452 5.450 1.00 65.35 O ATOM 0 H GLY B 35 15.003 -18.621 2.195 1.00 31.24 H new ATOM 0 HA2 GLY B 35 14.572 -20.642 3.259 1.00 11.24 H new ATOM 0 HA3 GLY B 35 16.218 -21.181 2.992 1.00 11.24 H new ATOM 2363 N GLU B 36 17.324 -19.738 4.891 1.00 72.21 N ATOM 2364 CA GLU B 36 17.907 -19.176 6.126 1.00 55.02 C ATOM 2365 C GLU B 36 19.114 -18.297 5.744 1.00 15.01 C ATOM 2366 O GLU B 36 19.925 -18.692 4.897 1.00 15.12 O ATOM 2367 CB GLU B 36 18.331 -20.305 7.114 1.00 55.51 C ATOM 2368 CG GLU B 36 17.155 -21.156 7.641 1.00 54.33 C ATOM 2369 CD GLU B 36 17.596 -22.288 8.579 1.00 72.45 C ATOM 2370 OE1 GLU B 36 17.439 -22.164 9.815 1.00 23.23 O ATOM 2371 OE2 GLU B 36 18.121 -23.309 8.083 1.00 14.40 O ATOM 0 H GLU B 36 18.027 -20.072 4.231 1.00 72.21 H new ATOM 0 HA GLU B 36 17.158 -18.570 6.637 1.00 55.02 H new ATOM 0 HB2 GLU B 36 19.045 -20.960 6.615 1.00 55.51 H new ATOM 0 HB3 GLU B 36 18.849 -19.856 7.961 1.00 55.51 H new ATOM 0 HG2 GLU B 36 16.455 -20.508 8.169 1.00 54.33 H new ATOM 0 HG3 GLU B 36 16.617 -21.584 6.795 1.00 54.33 H new ATOM 2378 N SER B 37 19.218 -17.111 6.366 1.00 61.04 N ATOM 2379 CA SER B 37 20.272 -16.129 6.061 1.00 35.43 C ATOM 2380 C SER B 37 20.637 -15.345 7.332 1.00 4.52 C ATOM 2381 O SER B 37 19.826 -14.559 7.842 1.00 31.35 O ATOM 2382 CB SER B 37 19.804 -15.171 4.932 1.00 13.53 C ATOM 2383 OG SER B 37 20.832 -14.279 4.540 1.00 62.54 O ATOM 0 H SER B 37 18.573 -16.806 7.095 1.00 61.04 H new ATOM 0 HA SER B 37 21.161 -16.654 5.711 1.00 35.43 H new ATOM 0 HB2 SER B 37 19.481 -15.755 4.070 1.00 13.53 H new ATOM 0 HB3 SER B 37 18.939 -14.602 5.273 1.00 13.53 H new ATOM 0 HG SER B 37 20.502 -13.693 3.827 1.00 62.54 H new ATOM 2389 N ASP B 38 21.842 -15.609 7.868 1.00 13.01 N ATOM 2390 CA ASP B 38 22.410 -14.862 9.012 1.00 42.04 C ATOM 2391 C ASP B 38 23.118 -13.585 8.521 1.00 13.33 C ATOM 2392 O ASP B 38 23.328 -12.645 9.299 1.00 23.51 O ATOM 2393 CB ASP B 38 23.391 -15.758 9.822 1.00 24.52 C ATOM 2394 CG ASP B 38 24.602 -16.240 8.996 1.00 22.23 C ATOM 2395 OD1 ASP B 38 25.728 -15.745 9.199 1.00 74.31 O ATOM 2396 OD2 ASP B 38 24.422 -17.129 8.136 1.00 55.23 O ATOM 0 H ASP B 38 22.454 -16.348 7.521 1.00 13.01 H new ATOM 0 HA ASP B 38 21.593 -14.571 9.673 1.00 42.04 H new ATOM 0 HB2 ASP B 38 23.749 -15.202 10.688 1.00 24.52 H new ATOM 0 HB3 ASP B 38 22.851 -16.625 10.202 1.00 24.52 H new ATOM 2401 N SER B 39 23.491 -13.577 7.218 1.00 43.01 N ATOM 2402 CA SER B 39 24.085 -12.411 6.552 1.00 50.22 C ATOM 2403 C SER B 39 23.075 -11.237 6.513 1.00 0.25 C ATOM 2404 O SER B 39 21.877 -11.481 6.305 1.00 20.54 O ATOM 2405 CB SER B 39 24.536 -12.803 5.119 1.00 2.32 C ATOM 2406 OG SER B 39 23.473 -13.383 4.377 1.00 63.32 O ATOM 0 H SER B 39 23.385 -14.385 6.605 1.00 43.01 H new ATOM 0 HA SER B 39 24.958 -12.082 7.116 1.00 50.22 H new ATOM 0 HB2 SER B 39 24.904 -11.919 4.598 1.00 2.32 H new ATOM 0 HB3 SER B 39 25.366 -13.507 5.178 1.00 2.32 H new ATOM 0 HG SER B 39 22.662 -13.401 4.927 1.00 63.32 H new ATOM 2412 N PRO B 40 23.538 -9.955 6.733 1.00 2.12 N ATOM 2413 CA PRO B 40 22.643 -8.767 6.738 1.00 14.30 C ATOM 2414 C PRO B 40 21.880 -8.604 5.404 1.00 53.34 C ATOM 2415 O PRO B 40 22.478 -8.701 4.326 1.00 24.32 O ATOM 2416 CB PRO B 40 23.613 -7.572 7.000 1.00 31.03 C ATOM 2417 CG PRO B 40 24.975 -8.098 6.641 1.00 51.23 C ATOM 2418 CD PRO B 40 24.952 -9.569 7.002 1.00 53.13 C ATOM 0 HA PRO B 40 21.858 -8.845 7.490 1.00 14.30 H new ATOM 0 HB2 PRO B 40 23.349 -6.708 6.391 1.00 31.03 H new ATOM 0 HB3 PRO B 40 23.574 -7.252 8.041 1.00 31.03 H new ATOM 0 HG2 PRO B 40 25.182 -7.958 5.580 1.00 51.23 H new ATOM 0 HG3 PRO B 40 25.756 -7.572 7.190 1.00 51.23 H new ATOM 0 HD2 PRO B 40 25.651 -10.145 6.395 1.00 53.13 H new ATOM 0 HD3 PRO B 40 25.225 -9.734 8.044 1.00 53.13 H new ATOM 2426 N ILE B 41 20.553 -8.391 5.506 1.00 13.54 N ATOM 2427 CA ILE B 41 19.680 -8.136 4.348 1.00 12.03 C ATOM 2428 C ILE B 41 19.705 -6.612 4.047 1.00 12.04 C ATOM 2429 O ILE B 41 19.173 -5.830 4.845 1.00 21.32 O ATOM 2430 CB ILE B 41 18.173 -8.609 4.588 1.00 61.34 C ATOM 2431 CG1 ILE B 41 18.071 -10.155 4.899 1.00 1.32 C ATOM 2432 CG2 ILE B 41 17.263 -8.229 3.375 1.00 75.24 C ATOM 2433 CD1 ILE B 41 18.499 -10.584 6.303 1.00 53.01 C ATOM 0 H ILE B 41 20.057 -8.391 6.397 1.00 13.54 H new ATOM 0 HA ILE B 41 20.059 -8.716 3.506 1.00 12.03 H new ATOM 0 HB ILE B 41 17.814 -8.078 5.470 1.00 61.34 H new ATOM 0 HG12 ILE B 41 17.039 -10.470 4.743 1.00 1.32 H new ATOM 0 HG13 ILE B 41 18.682 -10.693 4.174 1.00 1.32 H new ATOM 0 HG21 ILE B 41 16.243 -8.563 3.566 1.00 75.24 H new ATOM 0 HG22 ILE B 41 17.271 -7.148 3.239 1.00 75.24 H new ATOM 0 HG23 ILE B 41 17.639 -8.711 2.473 1.00 75.24 H new ATOM 0 HD11 ILE B 41 18.387 -11.664 6.403 1.00 53.01 H new ATOM 0 HD12 ILE B 41 19.542 -10.310 6.465 1.00 53.01 H new ATOM 0 HD13 ILE B 41 17.874 -10.084 7.043 1.00 53.01 H new ATOM 2445 N PRO B 42 20.381 -6.160 2.937 1.00 51.32 N ATOM 2446 CA PRO B 42 20.412 -4.736 2.551 1.00 64.33 C ATOM 2447 C PRO B 42 19.243 -4.371 1.597 1.00 71.44 C ATOM 2448 O PRO B 42 19.074 -4.984 0.536 1.00 14.33 O ATOM 2449 CB PRO B 42 21.801 -4.610 1.873 1.00 63.33 C ATOM 2450 CG PRO B 42 22.102 -5.978 1.287 1.00 62.54 C ATOM 2451 CD PRO B 42 21.168 -6.984 1.972 1.00 41.13 C ATOM 0 HA PRO B 42 20.283 -4.049 3.388 1.00 64.33 H new ATOM 0 HB2 PRO B 42 21.789 -3.846 1.096 1.00 63.33 H new ATOM 0 HB3 PRO B 42 22.563 -4.318 2.595 1.00 63.33 H new ATOM 0 HG2 PRO B 42 21.942 -5.978 0.209 1.00 62.54 H new ATOM 0 HG3 PRO B 42 23.145 -6.247 1.454 1.00 62.54 H new ATOM 0 HD2 PRO B 42 20.519 -7.479 1.250 1.00 41.13 H new ATOM 0 HD3 PRO B 42 21.731 -7.765 2.483 1.00 41.13 H new ATOM 2459 N LEU B 43 18.423 -3.388 2.014 1.00 43.42 N ATOM 2460 CA LEU B 43 17.321 -2.840 1.208 1.00 22.13 C ATOM 2461 C LEU B 43 17.801 -1.525 0.543 1.00 11.53 C ATOM 2462 O LEU B 43 17.875 -0.492 1.220 1.00 42.53 O ATOM 2463 CB LEU B 43 16.046 -2.591 2.081 1.00 5.13 C ATOM 2464 CG LEU B 43 15.348 -3.843 2.738 1.00 25.22 C ATOM 2465 CD1 LEU B 43 15.050 -4.944 1.700 1.00 53.54 C ATOM 2466 CD2 LEU B 43 16.139 -4.388 3.954 1.00 62.40 C ATOM 0 H LEU B 43 18.510 -2.949 2.930 1.00 43.42 H new ATOM 0 HA LEU B 43 17.044 -3.561 0.439 1.00 22.13 H new ATOM 0 HB2 LEU B 43 16.317 -1.901 2.880 1.00 5.13 H new ATOM 0 HB3 LEU B 43 15.308 -2.084 1.459 1.00 5.13 H new ATOM 0 HG LEU B 43 14.388 -3.500 3.123 1.00 25.22 H new ATOM 0 HD11 LEU B 43 14.569 -5.789 2.193 1.00 53.54 H new ATOM 0 HD12 LEU B 43 14.388 -4.548 0.930 1.00 53.54 H new ATOM 0 HD13 LEU B 43 15.982 -5.274 1.242 1.00 53.54 H new ATOM 0 HD21 LEU B 43 15.617 -5.249 4.371 1.00 62.40 H new ATOM 0 HD22 LEU B 43 17.137 -4.688 3.634 1.00 62.40 H new ATOM 0 HD23 LEU B 43 16.220 -3.610 4.714 1.00 62.40 H new ATOM 2478 N PRO B 44 18.171 -1.541 -0.785 1.00 64.54 N ATOM 2479 CA PRO B 44 18.738 -0.360 -1.484 1.00 13.53 C ATOM 2480 C PRO B 44 17.637 0.593 -2.019 1.00 31.31 C ATOM 2481 O PRO B 44 17.662 1.022 -3.179 1.00 51.40 O ATOM 2482 CB PRO B 44 19.553 -1.032 -2.622 1.00 3.31 C ATOM 2483 CG PRO B 44 18.752 -2.252 -2.996 1.00 43.14 C ATOM 2484 CD PRO B 44 18.065 -2.715 -1.710 1.00 60.45 C ATOM 0 HA PRO B 44 19.336 0.288 -0.843 1.00 13.53 H new ATOM 0 HB2 PRO B 44 19.673 -0.361 -3.473 1.00 3.31 H new ATOM 0 HB3 PRO B 44 20.554 -1.303 -2.286 1.00 3.31 H new ATOM 0 HG2 PRO B 44 18.019 -2.016 -3.767 1.00 43.14 H new ATOM 0 HG3 PRO B 44 19.396 -3.034 -3.398 1.00 43.14 H new ATOM 0 HD2 PRO B 44 17.025 -2.985 -1.891 1.00 60.45 H new ATOM 0 HD3 PRO B 44 18.555 -3.595 -1.293 1.00 60.45 H new ATOM 2492 N ASN B 45 16.706 0.964 -1.121 1.00 21.05 N ATOM 2493 CA ASN B 45 15.553 1.822 -1.445 1.00 45.13 C ATOM 2494 C ASN B 45 15.172 2.653 -0.212 1.00 72.11 C ATOM 2495 O ASN B 45 15.132 3.889 -0.270 1.00 72.40 O ATOM 2496 CB ASN B 45 14.361 0.958 -1.931 1.00 22.33 C ATOM 2497 CG ASN B 45 13.093 1.765 -2.242 1.00 55.02 C ATOM 2498 OD1 ASN B 45 12.237 1.960 -1.374 1.00 24.43 O ATOM 2499 ND2 ASN B 45 12.967 2.245 -3.471 1.00 72.20 N ATOM 0 H ASN B 45 16.734 0.674 -0.143 1.00 21.05 H new ATOM 0 HA ASN B 45 15.820 2.503 -2.253 1.00 45.13 H new ATOM 0 HB2 ASN B 45 14.661 0.413 -2.826 1.00 22.33 H new ATOM 0 HB3 ASN B 45 14.129 0.215 -1.168 1.00 22.33 H new ATOM 0 HD21 ASN B 45 12.145 2.793 -3.722 1.00 72.20 H new ATOM 0 HD22 ASN B 45 13.692 2.066 -4.165 1.00 72.20 H new ATOM 2506 N VAL B 46 14.894 1.960 0.905 1.00 60.24 N ATOM 2507 CA VAL B 46 14.510 2.611 2.167 1.00 11.43 C ATOM 2508 C VAL B 46 15.772 3.117 2.916 1.00 4.23 C ATOM 2509 O VAL B 46 16.693 2.343 3.204 1.00 50.31 O ATOM 2510 CB VAL B 46 13.627 1.653 3.069 1.00 52.44 C ATOM 2511 CG1 VAL B 46 14.361 0.339 3.439 1.00 12.11 C ATOM 2512 CG2 VAL B 46 13.113 2.388 4.330 1.00 71.12 C ATOM 0 H VAL B 46 14.929 0.942 0.958 1.00 60.24 H new ATOM 0 HA VAL B 46 13.890 3.477 1.934 1.00 11.43 H new ATOM 0 HB VAL B 46 12.763 1.366 2.470 1.00 52.44 H new ATOM 0 HG11 VAL B 46 13.710 -0.280 4.057 1.00 12.11 H new ATOM 0 HG12 VAL B 46 14.619 -0.202 2.529 1.00 12.11 H new ATOM 0 HG13 VAL B 46 15.271 0.574 3.992 1.00 12.11 H new ATOM 0 HG21 VAL B 46 12.510 1.705 4.929 1.00 71.12 H new ATOM 0 HG22 VAL B 46 13.961 2.736 4.920 1.00 71.12 H new ATOM 0 HG23 VAL B 46 12.505 3.242 4.031 1.00 71.12 H new ATOM 2522 N THR B 47 15.821 4.439 3.175 1.00 55.33 N ATOM 2523 CA THR B 47 16.946 5.099 3.873 1.00 54.50 C ATOM 2524 C THR B 47 16.906 4.789 5.379 1.00 2.54 C ATOM 2525 O THR B 47 15.918 4.240 5.861 1.00 64.20 O ATOM 2526 CB THR B 47 16.904 6.643 3.639 1.00 14.44 C ATOM 2527 OG1 THR B 47 15.684 7.185 4.173 1.00 4.11 O ATOM 2528 CG2 THR B 47 17.010 6.999 2.144 1.00 31.54 C ATOM 0 H THR B 47 15.078 5.084 2.905 1.00 55.33 H new ATOM 0 HA THR B 47 17.878 4.709 3.463 1.00 54.50 H new ATOM 0 HB THR B 47 17.763 7.077 4.151 1.00 14.44 H new ATOM 0 HG1 THR B 47 15.664 8.154 4.025 1.00 4.11 H new ATOM 0 HG21 THR B 47 16.977 8.082 2.025 1.00 31.54 H new ATOM 0 HG22 THR B 47 17.950 6.619 1.745 1.00 31.54 H new ATOM 0 HG23 THR B 47 16.178 6.549 1.603 1.00 31.54 H new ATOM 2536 N SER B 48 17.969 5.158 6.115 1.00 61.24 N ATOM 2537 CA SER B 48 18.098 4.848 7.555 1.00 33.02 C ATOM 2538 C SER B 48 17.054 5.607 8.384 1.00 43.04 C ATOM 2539 O SER B 48 16.474 5.053 9.318 1.00 31.41 O ATOM 2540 CB SER B 48 19.514 5.182 8.054 1.00 74.41 C ATOM 2541 OG SER B 48 19.808 6.550 7.899 1.00 14.03 O ATOM 0 H SER B 48 18.760 5.677 5.734 1.00 61.24 H new ATOM 0 HA SER B 48 17.921 3.780 7.681 1.00 33.02 H new ATOM 0 HB2 SER B 48 19.605 4.906 9.105 1.00 74.41 H new ATOM 0 HB3 SER B 48 20.244 4.588 7.504 1.00 74.41 H new ATOM 0 HG SER B 48 20.728 6.653 7.578 1.00 14.03 H new ATOM 2547 N THR B 49 16.836 6.883 8.010 1.00 54.55 N ATOM 2548 CA THR B 49 15.868 7.780 8.660 1.00 65.44 C ATOM 2549 C THR B 49 14.443 7.195 8.600 1.00 71.42 C ATOM 2550 O THR B 49 13.697 7.231 9.588 1.00 4.31 O ATOM 2551 CB THR B 49 15.910 9.198 7.984 1.00 33.40 C ATOM 2552 OG1 THR B 49 17.255 9.710 8.041 1.00 1.54 O ATOM 2553 CG2 THR B 49 14.959 10.216 8.650 1.00 33.35 C ATOM 0 H THR B 49 17.336 7.323 7.237 1.00 54.55 H new ATOM 0 HA THR B 49 16.144 7.880 9.710 1.00 65.44 H new ATOM 0 HB THR B 49 15.577 9.070 6.954 1.00 33.40 H new ATOM 0 HG1 THR B 49 17.287 10.594 7.619 1.00 1.54 H new ATOM 0 HG21 THR B 49 15.035 11.175 8.137 1.00 33.35 H new ATOM 0 HG22 THR B 49 13.934 9.851 8.587 1.00 33.35 H new ATOM 0 HG23 THR B 49 15.236 10.342 9.697 1.00 33.35 H new ATOM 2561 N ILE B 50 14.096 6.622 7.438 1.00 52.41 N ATOM 2562 CA ILE B 50 12.757 6.076 7.182 1.00 33.14 C ATOM 2563 C ILE B 50 12.621 4.672 7.803 1.00 41.32 C ATOM 2564 O ILE B 50 11.636 4.403 8.493 1.00 61.10 O ATOM 2565 CB ILE B 50 12.446 6.067 5.638 1.00 45.23 C ATOM 2566 CG1 ILE B 50 12.593 7.516 5.050 1.00 4.02 C ATOM 2567 CG2 ILE B 50 11.041 5.482 5.331 1.00 64.44 C ATOM 2568 CD1 ILE B 50 11.751 8.582 5.741 1.00 72.24 C ATOM 0 H ILE B 50 14.736 6.525 6.650 1.00 52.41 H new ATOM 0 HA ILE B 50 12.017 6.720 7.658 1.00 33.14 H new ATOM 0 HB ILE B 50 13.173 5.414 5.155 1.00 45.23 H new ATOM 0 HG12 ILE B 50 13.641 7.810 5.107 1.00 4.02 H new ATOM 0 HG13 ILE B 50 12.325 7.492 3.994 1.00 4.02 H new ATOM 0 HG21 ILE B 50 10.869 5.495 4.255 1.00 64.44 H new ATOM 0 HG22 ILE B 50 10.987 4.456 5.695 1.00 64.44 H new ATOM 0 HG23 ILE B 50 10.280 6.084 5.828 1.00 64.44 H new ATOM 0 HD11 ILE B 50 11.922 9.547 5.263 1.00 72.24 H new ATOM 0 HD12 ILE B 50 10.696 8.320 5.662 1.00 72.24 H new ATOM 0 HD13 ILE B 50 12.032 8.643 6.792 1.00 72.24 H new ATOM 2580 N LEU B 51 13.645 3.818 7.591 1.00 35.12 N ATOM 2581 CA LEU B 51 13.678 2.419 8.092 1.00 41.22 C ATOM 2582 C LEU B 51 13.646 2.377 9.633 1.00 71.25 C ATOM 2583 O LEU B 51 13.138 1.420 10.226 1.00 51.25 O ATOM 2584 CB LEU B 51 14.927 1.659 7.548 1.00 50.11 C ATOM 2585 CG LEU B 51 14.973 0.112 7.825 1.00 45.24 C ATOM 2586 CD1 LEU B 51 13.754 -0.614 7.213 1.00 22.54 C ATOM 2587 CD2 LEU B 51 16.296 -0.517 7.339 1.00 73.11 C ATOM 0 H LEU B 51 14.479 4.077 7.065 1.00 35.12 H new ATOM 0 HA LEU B 51 12.785 1.916 7.722 1.00 41.22 H new ATOM 0 HB2 LEU B 51 14.981 1.816 6.471 1.00 50.11 H new ATOM 0 HB3 LEU B 51 15.819 2.111 7.981 1.00 50.11 H new ATOM 0 HG LEU B 51 14.925 -0.018 8.906 1.00 45.24 H new ATOM 0 HD11 LEU B 51 13.822 -1.681 7.425 1.00 22.54 H new ATOM 0 HD12 LEU B 51 12.837 -0.215 7.647 1.00 22.54 H new ATOM 0 HD13 LEU B 51 13.742 -0.459 6.134 1.00 22.54 H new ATOM 0 HD21 LEU B 51 16.289 -1.587 7.548 1.00 73.11 H new ATOM 0 HD22 LEU B 51 16.402 -0.358 6.266 1.00 73.11 H new ATOM 0 HD23 LEU B 51 17.133 -0.051 7.859 1.00 73.11 H new ATOM 2599 N GLU B 52 14.196 3.442 10.255 1.00 34.33 N ATOM 2600 CA GLU B 52 14.118 3.684 11.710 1.00 41.41 C ATOM 2601 C GLU B 52 12.655 3.610 12.182 1.00 62.02 C ATOM 2602 O GLU B 52 12.324 2.836 13.076 1.00 55.44 O ATOM 2603 CB GLU B 52 14.699 5.090 12.028 1.00 54.14 C ATOM 2604 CG GLU B 52 14.711 5.483 13.525 1.00 44.43 C ATOM 2605 CD GLU B 52 14.989 6.984 13.757 1.00 51.42 C ATOM 2606 OE1 GLU B 52 14.024 7.764 13.918 1.00 72.04 O ATOM 2607 OE2 GLU B 52 16.175 7.387 13.772 1.00 41.53 O ATOM 0 H GLU B 52 14.712 4.165 9.754 1.00 34.33 H new ATOM 0 HA GLU B 52 14.695 2.921 12.232 1.00 41.41 H new ATOM 0 HB2 GLU B 52 15.720 5.136 11.650 1.00 54.14 H new ATOM 0 HB3 GLU B 52 14.122 5.835 11.479 1.00 54.14 H new ATOM 0 HG2 GLU B 52 13.750 5.225 13.970 1.00 44.43 H new ATOM 0 HG3 GLU B 52 15.469 4.895 14.042 1.00 44.43 H new ATOM 2614 N LYS B 53 11.785 4.388 11.501 1.00 4.34 N ATOM 2615 CA LYS B 53 10.347 4.504 11.828 1.00 3.25 C ATOM 2616 C LYS B 53 9.531 3.296 11.338 1.00 14.22 C ATOM 2617 O LYS B 53 8.557 2.903 11.990 1.00 52.32 O ATOM 2618 CB LYS B 53 9.779 5.823 11.248 1.00 62.14 C ATOM 2619 CG LYS B 53 10.030 7.061 12.134 1.00 3.22 C ATOM 2620 CD LYS B 53 9.691 8.380 11.418 1.00 24.24 C ATOM 2621 CE LYS B 53 10.713 8.722 10.325 1.00 4.31 C ATOM 2622 NZ LYS B 53 12.070 8.915 10.908 1.00 72.03 N ATOM 0 H LYS B 53 12.064 4.958 10.702 1.00 4.34 H new ATOM 0 HA LYS B 53 10.258 4.519 12.914 1.00 3.25 H new ATOM 0 HB2 LYS B 53 10.221 5.996 10.267 1.00 62.14 H new ATOM 0 HB3 LYS B 53 8.705 5.709 11.098 1.00 62.14 H new ATOM 0 HG2 LYS B 53 9.432 6.981 13.042 1.00 3.22 H new ATOM 0 HG3 LYS B 53 11.076 7.077 12.441 1.00 3.22 H new ATOM 0 HD2 LYS B 53 8.698 8.307 10.975 1.00 24.24 H new ATOM 0 HD3 LYS B 53 9.656 9.189 12.147 1.00 24.24 H new ATOM 0 HE2 LYS B 53 10.741 7.922 9.585 1.00 4.31 H new ATOM 0 HE3 LYS B 53 10.404 9.628 9.804 1.00 4.31 H new ATOM 0 HZ1 LYS B 53 12.458 9.826 10.590 1.00 72.03 H new ATOM 0 HZ2 LYS B 53 12.006 8.909 11.946 1.00 72.03 H new ATOM 0 HZ3 LYS B 53 12.695 8.145 10.595 1.00 72.03 H new ATOM 2636 N VAL B 54 9.926 2.725 10.197 1.00 14.33 N ATOM 2637 CA VAL B 54 9.262 1.544 9.625 1.00 14.30 C ATOM 2638 C VAL B 54 9.329 0.371 10.628 1.00 32.32 C ATOM 2639 O VAL B 54 8.302 -0.221 10.978 1.00 63.23 O ATOM 2640 CB VAL B 54 9.907 1.156 8.235 1.00 41.10 C ATOM 2641 CG1 VAL B 54 9.405 -0.210 7.726 1.00 33.31 C ATOM 2642 CG2 VAL B 54 9.634 2.262 7.178 1.00 30.20 C ATOM 0 H VAL B 54 10.712 3.065 9.643 1.00 14.33 H new ATOM 0 HA VAL B 54 8.214 1.778 9.441 1.00 14.30 H new ATOM 0 HB VAL B 54 10.983 1.072 8.390 1.00 41.10 H new ATOM 0 HG11 VAL B 54 9.874 -0.436 6.768 1.00 33.31 H new ATOM 0 HG12 VAL B 54 9.663 -0.985 8.448 1.00 33.31 H new ATOM 0 HG13 VAL B 54 8.323 -0.176 7.601 1.00 33.31 H new ATOM 0 HG21 VAL B 54 10.086 1.977 6.228 1.00 30.20 H new ATOM 0 HG22 VAL B 54 8.559 2.382 7.047 1.00 30.20 H new ATOM 0 HG23 VAL B 54 10.066 3.204 7.517 1.00 30.20 H new ATOM 2652 N LEU B 55 10.546 0.100 11.124 1.00 11.31 N ATOM 2653 CA LEU B 55 10.804 -0.946 12.126 1.00 73.12 C ATOM 2654 C LEU B 55 10.335 -0.519 13.534 1.00 34.41 C ATOM 2655 O LEU B 55 10.051 -1.386 14.365 1.00 13.03 O ATOM 2656 CB LEU B 55 12.298 -1.352 12.121 1.00 74.43 C ATOM 2657 CG LEU B 55 12.820 -1.957 10.780 1.00 32.12 C ATOM 2658 CD1 LEU B 55 14.308 -2.346 10.874 1.00 22.23 C ATOM 2659 CD2 LEU B 55 11.947 -3.156 10.324 1.00 35.53 C ATOM 0 H LEU B 55 11.385 0.605 10.839 1.00 11.31 H new ATOM 0 HA LEU B 55 10.217 -1.822 11.851 1.00 73.12 H new ATOM 0 HB2 LEU B 55 12.897 -0.474 12.362 1.00 74.43 H new ATOM 0 HB3 LEU B 55 12.463 -2.078 12.917 1.00 74.43 H new ATOM 0 HG LEU B 55 12.736 -1.182 10.018 1.00 32.12 H new ATOM 0 HD11 LEU B 55 14.636 -2.763 9.922 1.00 22.23 H new ATOM 0 HD12 LEU B 55 14.901 -1.462 11.106 1.00 22.23 H new ATOM 0 HD13 LEU B 55 14.441 -3.089 11.661 1.00 22.23 H new ATOM 0 HD21 LEU B 55 12.337 -3.555 9.387 1.00 35.53 H new ATOM 0 HD22 LEU B 55 11.970 -3.934 11.087 1.00 35.53 H new ATOM 0 HD23 LEU B 55 10.920 -2.823 10.177 1.00 35.53 H new ATOM 2671 N ASP B 56 10.294 0.810 13.801 1.00 53.15 N ATOM 2672 CA ASP B 56 9.811 1.367 15.091 1.00 72.43 C ATOM 2673 C ASP B 56 8.338 0.996 15.319 1.00 70.11 C ATOM 2674 O ASP B 56 7.981 0.472 16.382 1.00 40.30 O ATOM 2675 CB ASP B 56 9.980 2.912 15.128 1.00 61.02 C ATOM 2676 CG ASP B 56 9.564 3.543 16.464 1.00 74.35 C ATOM 2677 OD1 ASP B 56 10.396 3.573 17.404 1.00 72.44 O ATOM 2678 OD2 ASP B 56 8.404 3.996 16.594 1.00 15.23 O ATOM 0 H ASP B 56 10.592 1.522 13.134 1.00 53.15 H new ATOM 0 HA ASP B 56 10.414 0.934 15.889 1.00 72.43 H new ATOM 0 HB2 ASP B 56 11.022 3.160 14.927 1.00 61.02 H new ATOM 0 HB3 ASP B 56 9.387 3.353 14.327 1.00 61.02 H new ATOM 2683 N TYR B 57 7.490 1.281 14.305 1.00 70.34 N ATOM 2684 CA TYR B 57 6.065 0.942 14.346 1.00 2.05 C ATOM 2685 C TYR B 57 5.871 -0.584 14.304 1.00 72.32 C ATOM 2686 O TYR B 57 4.945 -1.088 14.928 1.00 55.35 O ATOM 2687 CB TYR B 57 5.258 1.617 13.202 1.00 4.02 C ATOM 2688 CG TYR B 57 3.764 1.199 13.183 1.00 15.25 C ATOM 2689 CD1 TYR B 57 2.839 1.772 14.061 1.00 42.11 C ATOM 2690 CD2 TYR B 57 3.301 0.181 12.339 1.00 73.31 C ATOM 2691 CE1 TYR B 57 1.522 1.353 14.095 1.00 33.01 C ATOM 2692 CE2 TYR B 57 1.986 -0.227 12.369 1.00 41.22 C ATOM 2693 CZ TYR B 57 1.102 0.353 13.249 1.00 4.33 C ATOM 2694 OH TYR B 57 -0.209 -0.079 13.285 1.00 4.00 O ATOM 0 H TYR B 57 7.779 1.749 13.446 1.00 70.34 H new ATOM 0 HA TYR B 57 5.676 1.330 15.287 1.00 2.05 H new ATOM 0 HB2 TYR B 57 5.325 2.700 13.308 1.00 4.02 H new ATOM 0 HB3 TYR B 57 5.713 1.362 12.245 1.00 4.02 H new ATOM 0 HD1 TYR B 57 3.160 2.559 14.727 1.00 42.11 H new ATOM 0 HD2 TYR B 57 3.988 -0.292 11.653 1.00 73.31 H new ATOM 0 HE1 TYR B 57 0.826 1.809 14.783 1.00 33.01 H new ATOM 0 HE2 TYR B 57 1.648 -1.004 11.700 1.00 41.22 H new ATOM 0 HH TYR B 57 -0.338 -0.790 12.622 1.00 4.00 H new ATOM 2704 N CYS B 58 6.709 -1.299 13.524 1.00 63.11 N ATOM 2705 CA CYS B 58 6.643 -2.772 13.440 1.00 4.12 C ATOM 2706 C CYS B 58 6.882 -3.409 14.820 1.00 44.30 C ATOM 2707 O CYS B 58 6.175 -4.345 15.210 1.00 34.25 O ATOM 2708 CB CYS B 58 7.642 -3.316 12.398 1.00 53.43 C ATOM 2709 SG CYS B 58 7.218 -2.890 10.697 1.00 41.42 S ATOM 0 H CYS B 58 7.437 -0.881 12.945 1.00 63.11 H new ATOM 0 HA CYS B 58 5.640 -3.045 13.111 1.00 4.12 H new ATOM 0 HB2 CYS B 58 8.636 -2.929 12.623 1.00 53.43 H new ATOM 0 HB3 CYS B 58 7.694 -4.401 12.489 1.00 53.43 H new ATOM 0 HG CYS B 58 7.603 -1.674 10.445 1.00 41.42 H new ATOM 2715 N ARG B 59 7.876 -2.878 15.560 1.00 72.41 N ATOM 2716 CA ARG B 59 8.204 -3.347 16.917 1.00 65.41 C ATOM 2717 C ARG B 59 7.019 -3.053 17.849 1.00 54.12 C ATOM 2718 O ARG B 59 6.584 -3.923 18.602 1.00 63.32 O ATOM 2719 CB ARG B 59 9.503 -2.674 17.440 1.00 33.32 C ATOM 2720 CG ARG B 59 9.964 -3.215 18.811 1.00 3.01 C ATOM 2721 CD ARG B 59 11.280 -2.606 19.313 1.00 43.54 C ATOM 2722 NE ARG B 59 11.675 -3.201 20.604 1.00 72.43 N ATOM 2723 CZ ARG B 59 12.921 -3.214 21.110 1.00 31.43 C ATOM 2724 NH1 ARG B 59 13.933 -2.678 20.450 1.00 2.44 N ATOM 2725 NH2 ARG B 59 13.139 -3.784 22.279 1.00 62.54 N ATOM 0 H ARG B 59 8.470 -2.116 15.234 1.00 72.41 H new ATOM 0 HA ARG B 59 8.384 -4.422 16.892 1.00 65.41 H new ATOM 0 HB2 ARG B 59 10.300 -2.824 16.712 1.00 33.32 H new ATOM 0 HB3 ARG B 59 9.341 -1.599 17.518 1.00 33.32 H new ATOM 0 HG2 ARG B 59 9.183 -3.023 19.547 1.00 3.01 H new ATOM 0 HG3 ARG B 59 10.079 -4.297 18.743 1.00 3.01 H new ATOM 0 HD2 ARG B 59 12.066 -2.770 18.576 1.00 43.54 H new ATOM 0 HD3 ARG B 59 11.168 -1.527 19.424 1.00 43.54 H new ATOM 0 HE ARG B 59 10.941 -3.640 21.160 1.00 72.43 H new ATOM 0 HH11 ARG B 59 13.776 -2.245 19.540 1.00 2.44 H new ATOM 0 HH12 ARG B 59 14.871 -2.698 20.851 1.00 2.44 H new ATOM 0 HH21 ARG B 59 12.366 -4.210 22.791 1.00 62.54 H new ATOM 0 HH22 ARG B 59 14.080 -3.799 22.671 1.00 62.54 H new ATOM 2739 N HIS B 60 6.487 -1.824 17.723 1.00 50.53 N ATOM 2740 CA HIS B 60 5.279 -1.359 18.431 1.00 23.14 C ATOM 2741 C HIS B 60 4.057 -2.254 18.125 1.00 35.24 C ATOM 2742 O HIS B 60 3.234 -2.486 19.002 1.00 21.23 O ATOM 2743 CB HIS B 60 4.984 0.113 18.023 1.00 64.13 C ATOM 2744 CG HIS B 60 3.641 0.638 18.460 1.00 53.15 C ATOM 2745 ND1 HIS B 60 3.369 1.009 19.751 1.00 41.20 N ATOM 2746 CD2 HIS B 60 2.502 0.861 17.758 1.00 60.00 C ATOM 2747 CE1 HIS B 60 2.120 1.418 19.829 1.00 61.44 C ATOM 2748 NE2 HIS B 60 1.571 1.348 18.632 1.00 53.21 N ATOM 0 H HIS B 60 6.892 -1.112 17.115 1.00 50.53 H new ATOM 0 HA HIS B 60 5.463 -1.418 19.504 1.00 23.14 H new ATOM 0 HB2 HIS B 60 5.761 0.753 18.441 1.00 64.13 H new ATOM 0 HB3 HIS B 60 5.054 0.194 16.938 1.00 64.13 H new ATOM 0 HD2 HIS B 60 2.357 0.686 16.702 1.00 60.00 H new ATOM 0 HE1 HIS B 60 1.625 1.756 20.728 1.00 61.44 H new ATOM 0 HE2 HIS B 60 0.614 1.612 18.398 1.00 53.21 H new ATOM 2757 N HIS B 61 3.956 -2.720 16.868 1.00 1.20 N ATOM 2758 CA HIS B 61 2.816 -3.512 16.379 1.00 74.12 C ATOM 2759 C HIS B 61 2.938 -4.983 16.825 1.00 12.21 C ATOM 2760 O HIS B 61 1.951 -5.724 16.844 1.00 30.33 O ATOM 2761 CB HIS B 61 2.697 -3.410 14.833 1.00 71.31 C ATOM 2762 CG HIS B 61 1.424 -4.007 14.301 1.00 41.32 C ATOM 2763 ND1 HIS B 61 1.334 -5.285 13.801 1.00 32.43 N ATOM 2764 CD2 HIS B 61 0.176 -3.497 14.248 1.00 73.44 C ATOM 2765 CE1 HIS B 61 0.082 -5.536 13.475 1.00 71.44 C ATOM 2766 NE2 HIS B 61 -0.643 -4.467 13.734 1.00 65.42 N ATOM 0 H HIS B 61 4.670 -2.556 16.158 1.00 1.20 H new ATOM 0 HA HIS B 61 1.906 -3.102 16.816 1.00 74.12 H new ATOM 0 HB2 HIS B 61 2.751 -2.362 14.538 1.00 71.31 H new ATOM 0 HB3 HIS B 61 3.548 -3.914 14.375 1.00 71.31 H new ATOM 0 HD1 HIS B 61 2.113 -5.936 13.699 1.00 32.43 H new ATOM 0 HD2 HIS B 61 -0.123 -2.505 14.555 1.00 73.44 H new ATOM 0 HE1 HIS B 61 -0.288 -6.464 13.064 1.00 71.44 H new ATOM 2775 N HIS B 62 4.167 -5.401 17.161 1.00 53.03 N ATOM 2776 CA HIS B 62 4.424 -6.736 17.720 1.00 15.40 C ATOM 2777 C HIS B 62 4.124 -6.736 19.233 1.00 24.30 C ATOM 2778 O HIS B 62 3.588 -7.714 19.768 1.00 64.44 O ATOM 2779 CB HIS B 62 5.884 -7.161 17.436 1.00 24.34 C ATOM 2780 CG HIS B 62 6.181 -8.585 17.826 1.00 64.42 C ATOM 2781 ND1 HIS B 62 6.012 -9.646 16.962 1.00 12.43 N ATOM 2782 CD2 HIS B 62 6.617 -9.120 18.992 1.00 52.01 C ATOM 2783 CE1 HIS B 62 6.314 -10.762 17.585 1.00 51.12 C ATOM 2784 NE2 HIS B 62 6.684 -10.470 18.811 1.00 54.42 N ATOM 0 H HIS B 62 5.004 -4.829 17.054 1.00 53.03 H new ATOM 0 HA HIS B 62 3.766 -7.462 17.242 1.00 15.40 H new ATOM 0 HB2 HIS B 62 6.091 -7.033 16.374 1.00 24.34 H new ATOM 0 HB3 HIS B 62 6.559 -6.496 17.975 1.00 24.34 H new ATOM 0 HD2 HIS B 62 6.865 -8.580 19.894 1.00 52.01 H new ATOM 0 HE1 HIS B 62 6.266 -11.754 17.160 1.00 51.12 H new ATOM 0 HE2 HIS B 62 6.976 -11.146 19.517 1.00 54.42 H new ATOM 2793 N GLN B 63 4.487 -5.625 19.906 1.00 23.23 N ATOM 2794 CA GLN B 63 4.236 -5.422 21.350 1.00 33.32 C ATOM 2795 C GLN B 63 2.731 -5.192 21.597 1.00 34.11 C ATOM 2796 O GLN B 63 2.166 -5.664 22.588 1.00 2.34 O ATOM 2797 CB GLN B 63 5.067 -4.213 21.870 1.00 31.31 C ATOM 2798 CG GLN B 63 6.598 -4.386 21.733 1.00 11.54 C ATOM 2799 CD GLN B 63 7.435 -3.198 22.235 1.00 22.51 C ATOM 2800 OE1 GLN B 63 8.502 -2.911 21.700 1.00 60.52 O ATOM 2801 NE2 GLN B 63 6.994 -2.535 23.288 1.00 30.31 N ATOM 0 H GLN B 63 4.964 -4.840 19.463 1.00 23.23 H new ATOM 0 HA GLN B 63 4.544 -6.314 21.895 1.00 33.32 H new ATOM 0 HB2 GLN B 63 4.764 -3.318 21.326 1.00 31.31 H new ATOM 0 HB3 GLN B 63 4.825 -4.045 22.919 1.00 31.31 H new ATOM 0 HG2 GLN B 63 6.898 -5.279 22.281 1.00 11.54 H new ATOM 0 HG3 GLN B 63 6.836 -4.561 20.684 1.00 11.54 H new ATOM 0 HE21 GLN B 63 6.104 -2.791 23.716 1.00 30.31 H new ATOM 0 HE22 GLN B 63 7.543 -1.767 23.673 1.00 30.31 H new ATOM 2810 N HIS B 64 2.100 -4.458 20.667 1.00 12.42 N ATOM 2811 CA HIS B 64 0.665 -4.134 20.681 1.00 62.53 C ATOM 2812 C HIS B 64 0.067 -4.583 19.341 1.00 52.33 C ATOM 2813 O HIS B 64 0.257 -3.891 18.338 1.00 72.14 O ATOM 2814 CB HIS B 64 0.435 -2.610 20.906 1.00 75.02 C ATOM 2815 CG HIS B 64 0.758 -2.158 22.300 1.00 72.34 C ATOM 2816 ND1 HIS B 64 -0.208 -1.906 23.245 1.00 13.12 N ATOM 2817 CD2 HIS B 64 1.943 -1.932 22.911 1.00 21.24 C ATOM 2818 CE1 HIS B 64 0.367 -1.561 24.375 1.00 21.22 C ATOM 2819 NE2 HIS B 64 1.672 -1.566 24.199 1.00 11.11 N ATOM 0 H HIS B 64 2.587 -4.063 19.863 1.00 12.42 H new ATOM 0 HA HIS B 64 0.176 -4.654 21.505 1.00 62.53 H new ATOM 0 HB2 HIS B 64 1.047 -2.050 20.199 1.00 75.02 H new ATOM 0 HB3 HIS B 64 -0.605 -2.371 20.686 1.00 75.02 H new ATOM 0 HD2 HIS B 64 2.922 -2.024 22.464 1.00 21.24 H new ATOM 0 HE1 HIS B 64 -0.145 -1.315 25.294 1.00 21.22 H new ATOM 0 HE2 HIS B 64 2.367 -1.334 24.909 1.00 11.11 H new ATOM 2917 N ILE B 73 -5.812 5.485 19.872 1.00 43.02 N ATOM 2918 CA ILE B 73 -4.875 6.537 19.429 1.00 34.10 C ATOM 2919 C ILE B 73 -3.853 6.754 20.575 1.00 22.14 C ATOM 2920 O ILE B 73 -4.067 7.617 21.437 1.00 52.12 O ATOM 2921 CB ILE B 73 -5.593 7.913 19.038 1.00 42.20 C ATOM 2922 CG1 ILE B 73 -6.715 7.722 17.941 1.00 72.33 C ATOM 2923 CG2 ILE B 73 -4.542 8.969 18.569 1.00 73.14 C ATOM 2924 CD1 ILE B 73 -8.036 7.124 18.431 1.00 22.41 C ATOM 0 HA ILE B 73 -4.386 6.206 18.513 1.00 34.10 H new ATOM 0 HB ILE B 73 -6.087 8.278 19.938 1.00 42.20 H new ATOM 0 HG12 ILE B 73 -6.923 8.692 17.490 1.00 72.33 H new ATOM 0 HG13 ILE B 73 -6.319 7.082 17.152 1.00 72.33 H new ATOM 0 HG21 ILE B 73 -5.050 9.897 18.308 1.00 73.14 H new ATOM 0 HG22 ILE B 73 -3.832 9.158 19.374 1.00 73.14 H new ATOM 0 HG23 ILE B 73 -4.009 8.590 17.697 1.00 73.14 H new ATOM 0 HD11 ILE B 73 -8.730 7.039 17.594 1.00 22.41 H new ATOM 0 HD12 ILE B 73 -7.854 6.136 18.853 1.00 22.41 H new ATOM 0 HD13 ILE B 73 -8.467 7.771 19.195 1.00 22.41 H new ATOM 2936 N PRO B 74 -2.769 5.911 20.664 1.00 53.34 N ATOM 2937 CA PRO B 74 -1.727 6.078 21.702 1.00 22.05 C ATOM 2938 C PRO B 74 -0.860 7.336 21.447 1.00 72.01 C ATOM 2939 O PRO B 74 -0.593 7.672 20.281 1.00 11.41 O ATOM 2940 CB PRO B 74 -0.887 4.760 21.608 1.00 71.22 C ATOM 2941 CG PRO B 74 -1.723 3.830 20.775 1.00 72.12 C ATOM 2942 CD PRO B 74 -2.469 4.731 19.815 1.00 32.13 C ATOM 0 HA PRO B 74 -2.148 6.231 22.696 1.00 22.05 H new ATOM 0 HB2 PRO B 74 0.083 4.941 21.145 1.00 71.22 H new ATOM 0 HB3 PRO B 74 -0.696 4.342 22.596 1.00 71.22 H new ATOM 0 HG2 PRO B 74 -1.101 3.112 20.240 1.00 72.12 H new ATOM 0 HG3 PRO B 74 -2.412 3.256 21.395 1.00 72.12 H new ATOM 0 HD2 PRO B 74 -1.862 4.996 18.949 1.00 32.13 H new ATOM 0 HD3 PRO B 74 -3.376 4.260 19.436 1.00 32.13 H new ATOM 2950 N PRO B 75 -0.434 8.074 22.531 1.00 70.54 N ATOM 2951 CA PRO B 75 0.532 9.203 22.421 1.00 31.12 C ATOM 2952 C PRO B 75 1.837 8.810 21.681 1.00 22.04 C ATOM 2953 O PRO B 75 2.479 9.660 21.074 1.00 73.43 O ATOM 2954 CB PRO B 75 0.816 9.572 23.897 1.00 3.11 C ATOM 2955 CG PRO B 75 -0.417 9.152 24.638 1.00 71.51 C ATOM 2956 CD PRO B 75 -0.884 7.889 23.945 1.00 21.01 C ATOM 0 HA PRO B 75 0.130 10.028 21.833 1.00 31.12 H new ATOM 0 HB2 PRO B 75 1.699 9.054 24.272 1.00 3.11 H new ATOM 0 HB3 PRO B 75 1.001 10.640 24.010 1.00 3.11 H new ATOM 0 HG2 PRO B 75 -0.201 8.967 25.690 1.00 71.51 H new ATOM 0 HG3 PRO B 75 -1.182 9.927 24.601 1.00 71.51 H new ATOM 0 HD2 PRO B 75 -0.441 6.999 24.393 1.00 21.01 H new ATOM 0 HD3 PRO B 75 -1.966 7.774 24.009 1.00 21.01 H new ATOM 2964 N TYR B 76 2.187 7.510 21.741 1.00 44.44 N ATOM 2965 CA TYR B 76 3.342 6.922 21.031 1.00 20.41 C ATOM 2966 C TYR B 76 3.212 7.145 19.511 1.00 51.31 C ATOM 2967 O TYR B 76 4.138 7.652 18.866 1.00 65.03 O ATOM 2968 CB TYR B 76 3.422 5.405 21.357 1.00 14.45 C ATOM 2969 CG TYR B 76 4.661 4.672 20.809 1.00 63.55 C ATOM 2970 CD1 TYR B 76 4.673 4.121 19.527 1.00 3.02 C ATOM 2971 CD2 TYR B 76 5.812 4.518 21.590 1.00 22.23 C ATOM 2972 CE1 TYR B 76 5.773 3.448 19.048 1.00 61.01 C ATOM 2973 CE2 TYR B 76 6.918 3.847 21.106 1.00 1.21 C ATOM 2974 CZ TYR B 76 6.889 3.312 19.835 1.00 51.21 C ATOM 2975 OH TYR B 76 7.969 2.624 19.357 1.00 35.22 O ATOM 0 H TYR B 76 1.667 6.827 22.293 1.00 44.44 H new ATOM 0 HA TYR B 76 4.258 7.410 21.364 1.00 20.41 H new ATOM 0 HB2 TYR B 76 3.399 5.282 22.440 1.00 14.45 H new ATOM 0 HB3 TYR B 76 2.530 4.919 20.962 1.00 14.45 H new ATOM 0 HD1 TYR B 76 3.801 4.225 18.898 1.00 3.02 H new ATOM 0 HD2 TYR B 76 5.836 4.931 22.588 1.00 22.23 H new ATOM 0 HE1 TYR B 76 5.758 3.027 18.054 1.00 61.01 H new ATOM 0 HE2 TYR B 76 7.801 3.742 21.719 1.00 1.21 H new ATOM 0 HH TYR B 76 8.678 2.618 20.033 1.00 35.22 H new ATOM 2985 N ASP B 77 2.050 6.753 18.968 1.00 24.03 N ATOM 2986 CA ASP B 77 1.731 6.865 17.527 1.00 71.45 C ATOM 2987 C ASP B 77 1.504 8.330 17.116 1.00 62.40 C ATOM 2988 O ASP B 77 1.733 8.703 15.960 1.00 60.04 O ATOM 2989 CB ASP B 77 0.492 6.000 17.182 1.00 50.02 C ATOM 2990 CG ASP B 77 0.749 4.509 17.431 1.00 41.31 C ATOM 2991 OD1 ASP B 77 0.915 3.738 16.455 1.00 1.43 O ATOM 2992 OD2 ASP B 77 0.828 4.110 18.607 1.00 52.04 O ATOM 0 H ASP B 77 1.294 6.345 19.518 1.00 24.03 H new ATOM 0 HA ASP B 77 2.585 6.493 16.962 1.00 71.45 H new ATOM 0 HB2 ASP B 77 -0.358 6.327 17.781 1.00 50.02 H new ATOM 0 HB3 ASP B 77 0.222 6.152 16.137 1.00 50.02 H new ATOM 2997 N ARG B 78 1.046 9.140 18.081 1.00 5.25 N ATOM 2998 CA ARG B 78 0.869 10.592 17.911 1.00 54.53 C ATOM 2999 C ARG B 78 2.238 11.289 17.709 1.00 54.32 C ATOM 3000 O ARG B 78 2.361 12.190 16.872 1.00 1.44 O ATOM 3001 CB ARG B 78 0.105 11.149 19.140 1.00 41.30 C ATOM 3002 CG ARG B 78 -0.131 12.678 19.152 1.00 65.22 C ATOM 3003 CD ARG B 78 -1.081 13.113 20.285 1.00 45.32 C ATOM 3004 NE ARG B 78 -2.439 12.563 20.083 1.00 71.32 N ATOM 3005 CZ ARG B 78 -3.308 12.227 21.050 1.00 13.11 C ATOM 3006 NH1 ARG B 78 -3.012 12.387 22.330 1.00 14.33 N ATOM 3007 NH2 ARG B 78 -4.498 11.763 20.717 1.00 75.31 N ATOM 0 H ARG B 78 0.786 8.805 19.009 1.00 5.25 H new ATOM 0 HA ARG B 78 0.281 10.796 17.016 1.00 54.53 H new ATOM 0 HB2 ARG B 78 -0.863 10.651 19.198 1.00 41.30 H new ATOM 0 HB3 ARG B 78 0.657 10.879 20.040 1.00 41.30 H new ATOM 0 HG2 ARG B 78 0.824 13.190 19.265 1.00 65.22 H new ATOM 0 HG3 ARG B 78 -0.547 12.987 18.193 1.00 65.22 H new ATOM 0 HD2 ARG B 78 -0.687 12.775 21.244 1.00 45.32 H new ATOM 0 HD3 ARG B 78 -1.129 14.201 20.326 1.00 45.32 H new ATOM 0 HE ARG B 78 -2.744 12.426 19.119 1.00 71.32 H new ATOM 0 HH11 ARG B 78 -2.107 12.773 22.600 1.00 14.33 H new ATOM 0 HH12 ARG B 78 -3.689 12.124 23.047 1.00 14.33 H new ATOM 0 HH21 ARG B 78 -4.749 11.663 19.734 1.00 75.31 H new ATOM 0 HH22 ARG B 78 -5.166 11.505 21.443 1.00 75.31 H new ATOM 3021 N ASP B 79 3.258 10.840 18.472 1.00 32.45 N ATOM 3022 CA ASP B 79 4.660 11.307 18.323 1.00 22.00 C ATOM 3023 C ASP B 79 5.304 10.709 17.060 1.00 22.24 C ATOM 3024 O ASP B 79 6.179 11.334 16.446 1.00 43.34 O ATOM 3025 CB ASP B 79 5.507 10.951 19.577 1.00 74.10 C ATOM 3026 CG ASP B 79 5.263 11.904 20.757 1.00 71.13 C ATOM 3027 OD1 ASP B 79 6.064 12.839 20.957 1.00 71.31 O ATOM 3028 OD2 ASP B 79 4.263 11.739 21.481 1.00 4.23 O ATOM 0 H ASP B 79 3.137 10.145 19.208 1.00 32.45 H new ATOM 0 HA ASP B 79 4.637 12.392 18.223 1.00 22.00 H new ATOM 0 HB2 ASP B 79 5.277 9.932 19.887 1.00 74.10 H new ATOM 0 HB3 ASP B 79 6.564 10.972 19.313 1.00 74.10 H new ATOM 3033 N PHE B 80 4.865 9.497 16.691 1.00 22.21 N ATOM 3034 CA PHE B 80 5.335 8.795 15.484 1.00 21.43 C ATOM 3035 C PHE B 80 4.963 9.593 14.215 1.00 22.03 C ATOM 3036 O PHE B 80 5.753 9.691 13.268 1.00 41.42 O ATOM 3037 CB PHE B 80 4.709 7.380 15.437 1.00 43.24 C ATOM 3038 CG PHE B 80 5.170 6.530 14.262 1.00 74.44 C ATOM 3039 CD1 PHE B 80 4.389 6.404 13.107 1.00 25.42 C ATOM 3040 CD2 PHE B 80 6.400 5.880 14.302 1.00 70.30 C ATOM 3041 CE1 PHE B 80 4.831 5.660 12.041 1.00 63.24 C ATOM 3042 CE2 PHE B 80 6.830 5.135 13.237 1.00 3.13 C ATOM 3043 CZ PHE B 80 6.050 5.024 12.105 1.00 1.10 C ATOM 0 H PHE B 80 4.171 8.972 17.223 1.00 22.21 H new ATOM 0 HA PHE B 80 6.421 8.706 15.521 1.00 21.43 H new ATOM 0 HB2 PHE B 80 4.949 6.859 16.364 1.00 43.24 H new ATOM 0 HB3 PHE B 80 3.624 7.477 15.397 1.00 43.24 H new ATOM 0 HD1 PHE B 80 3.429 6.897 13.054 1.00 25.42 H new ATOM 0 HD2 PHE B 80 7.021 5.964 15.182 1.00 70.30 H new ATOM 0 HE1 PHE B 80 4.223 5.574 11.153 1.00 63.24 H new ATOM 0 HE2 PHE B 80 7.784 4.632 13.283 1.00 3.13 H new ATOM 0 HZ PHE B 80 6.396 4.437 11.267 1.00 1.10 H new ATOM 3053 N CYS B 81 3.747 10.163 14.236 1.00 13.53 N ATOM 3054 CA CYS B 81 3.190 10.950 13.126 1.00 12.33 C ATOM 3055 C CYS B 81 3.845 12.349 13.008 1.00 4.12 C ATOM 3056 O CYS B 81 3.568 13.078 12.047 1.00 52.11 O ATOM 3057 CB CYS B 81 1.665 11.074 13.316 1.00 71.22 C ATOM 3058 SG CYS B 81 0.795 9.482 13.283 1.00 64.20 S ATOM 0 H CYS B 81 3.116 10.089 15.034 1.00 13.53 H new ATOM 0 HA CYS B 81 3.408 10.429 12.194 1.00 12.33 H new ATOM 0 HB2 CYS B 81 1.465 11.568 14.267 1.00 71.22 H new ATOM 0 HB3 CYS B 81 1.261 11.715 12.533 1.00 71.22 H new ATOM 0 HG CYS B 81 0.912 8.900 14.439 1.00 64.20 H new ATOM 3064 N LYS B 82 4.710 12.720 13.986 1.00 2.53 N ATOM 3065 CA LYS B 82 5.424 14.016 13.982 1.00 45.41 C ATOM 3066 C LYS B 82 6.635 13.949 13.037 1.00 75.40 C ATOM 3067 O LYS B 82 7.778 13.767 13.473 1.00 32.25 O ATOM 3068 CB LYS B 82 5.859 14.425 15.422 1.00 5.05 C ATOM 3069 CG LYS B 82 4.723 14.568 16.477 1.00 53.43 C ATOM 3070 CD LYS B 82 3.676 15.681 16.159 1.00 44.54 C ATOM 3071 CE LYS B 82 2.481 15.196 15.311 1.00 33.22 C ATOM 3072 NZ LYS B 82 1.598 16.306 14.901 1.00 53.32 N ATOM 0 H LYS B 82 4.929 12.133 14.791 1.00 2.53 H new ATOM 0 HA LYS B 82 4.741 14.784 13.618 1.00 45.41 H new ATOM 0 HB2 LYS B 82 6.572 13.685 15.786 1.00 5.05 H new ATOM 0 HB3 LYS B 82 6.390 15.375 15.361 1.00 5.05 H new ATOM 0 HG2 LYS B 82 4.204 13.614 16.564 1.00 53.43 H new ATOM 0 HG3 LYS B 82 5.172 14.777 17.448 1.00 53.43 H new ATOM 0 HD2 LYS B 82 3.300 16.090 17.097 1.00 44.54 H new ATOM 0 HD3 LYS B 82 4.175 16.495 15.633 1.00 44.54 H new ATOM 0 HE2 LYS B 82 2.852 14.683 14.424 1.00 33.22 H new ATOM 0 HE3 LYS B 82 1.905 14.468 15.882 1.00 33.22 H new ATOM 0 HZ1 LYS B 82 0.810 15.932 14.334 1.00 53.32 H new ATOM 0 HZ2 LYS B 82 1.221 16.780 15.746 1.00 53.32 H new ATOM 0 HZ3 LYS B 82 2.139 16.989 14.333 1.00 53.32 H new ATOM 3086 N VAL B 83 6.348 14.021 11.727 1.00 65.21 N ATOM 3087 CA VAL B 83 7.367 14.048 10.660 1.00 42.53 C ATOM 3088 C VAL B 83 6.985 15.098 9.601 1.00 63.53 C ATOM 3089 O VAL B 83 5.894 15.680 9.661 1.00 54.51 O ATOM 3090 CB VAL B 83 7.549 12.631 9.978 1.00 12.34 C ATOM 3091 CG1 VAL B 83 8.115 11.587 10.972 1.00 71.44 C ATOM 3092 CG2 VAL B 83 6.233 12.126 9.339 1.00 52.24 C ATOM 0 H VAL B 83 5.392 14.063 11.373 1.00 65.21 H new ATOM 0 HA VAL B 83 8.319 14.315 11.118 1.00 42.53 H new ATOM 0 HB VAL B 83 8.277 12.759 9.177 1.00 12.34 H new ATOM 0 HG11 VAL B 83 8.226 10.627 10.468 1.00 71.44 H new ATOM 0 HG12 VAL B 83 9.087 11.920 11.336 1.00 71.44 H new ATOM 0 HG13 VAL B 83 7.431 11.478 11.814 1.00 71.44 H new ATOM 0 HG21 VAL B 83 6.401 11.151 8.882 1.00 52.24 H new ATOM 0 HG22 VAL B 83 5.465 12.039 10.108 1.00 52.24 H new ATOM 0 HG23 VAL B 83 5.904 12.832 8.577 1.00 52.24 H new ATOM 3102 N ASP B 84 7.893 15.327 8.633 1.00 61.33 N ATOM 3103 CA ASP B 84 7.672 16.280 7.525 1.00 13.11 C ATOM 3104 C ASP B 84 6.662 15.716 6.509 1.00 52.01 C ATOM 3105 O ASP B 84 6.380 14.512 6.499 1.00 53.54 O ATOM 3106 CB ASP B 84 9.008 16.607 6.802 1.00 22.00 C ATOM 3107 CG ASP B 84 10.020 17.353 7.685 1.00 15.35 C ATOM 3108 OD1 ASP B 84 10.126 18.592 7.579 1.00 71.11 O ATOM 3109 OD2 ASP B 84 10.716 16.703 8.495 1.00 4.21 O ATOM 0 H ASP B 84 8.798 14.859 8.596 1.00 61.33 H new ATOM 0 HA ASP B 84 7.268 17.196 7.955 1.00 13.11 H new ATOM 0 HB2 ASP B 84 9.459 15.678 6.453 1.00 22.00 H new ATOM 0 HB3 ASP B 84 8.795 17.210 5.919 1.00 22.00 H new ATOM 3114 N GLN B 85 6.143 16.611 5.649 1.00 5.10 N ATOM 3115 CA GLN B 85 5.179 16.266 4.586 1.00 3.11 C ATOM 3116 C GLN B 85 5.799 15.286 3.547 1.00 51.44 C ATOM 3117 O GLN B 85 5.145 14.291 3.220 1.00 35.34 O ATOM 3118 CB GLN B 85 4.615 17.556 3.906 1.00 23.24 C ATOM 3119 CG GLN B 85 3.502 17.335 2.853 1.00 24.00 C ATOM 3120 CD GLN B 85 2.246 16.686 3.433 1.00 72.31 C ATOM 3121 OE1 GLN B 85 1.945 16.841 4.615 1.00 54.32 O ATOM 3122 NE2 GLN B 85 1.488 15.994 2.603 1.00 1.24 N ATOM 0 H GLN B 85 6.382 17.602 5.672 1.00 5.10 H new ATOM 0 HA GLN B 85 4.341 15.745 5.049 1.00 3.11 H new ATOM 0 HB2 GLN B 85 4.227 18.213 4.684 1.00 23.24 H new ATOM 0 HB3 GLN B 85 5.441 18.082 3.428 1.00 23.24 H new ATOM 0 HG2 GLN B 85 3.236 18.294 2.408 1.00 24.00 H new ATOM 0 HG3 GLN B 85 3.890 16.708 2.050 1.00 24.00 H new ATOM 0 HE21 GLN B 85 1.767 15.885 1.628 1.00 1.24 H new ATOM 0 HE22 GLN B 85 0.623 15.569 2.937 1.00 1.24 H new ATOM 3131 N PRO B 86 7.061 15.533 2.987 1.00 52.24 N ATOM 3132 CA PRO B 86 7.743 14.544 2.111 1.00 1.43 C ATOM 3133 C PRO B 86 7.997 13.211 2.836 1.00 62.24 C ATOM 3134 O PRO B 86 7.783 12.147 2.258 1.00 72.03 O ATOM 3135 CB PRO B 86 9.081 15.243 1.707 1.00 41.53 C ATOM 3136 CG PRO B 86 8.828 16.702 1.918 1.00 43.13 C ATOM 3137 CD PRO B 86 7.896 16.774 3.110 1.00 51.42 C ATOM 0 HA PRO B 86 7.136 14.278 1.246 1.00 1.43 H new ATOM 0 HB2 PRO B 86 9.911 14.893 2.320 1.00 41.53 H new ATOM 0 HB3 PRO B 86 9.340 15.032 0.669 1.00 41.53 H new ATOM 0 HG2 PRO B 86 9.757 17.239 2.111 1.00 43.13 H new ATOM 0 HG3 PRO B 86 8.375 17.155 1.036 1.00 43.13 H new ATOM 0 HD2 PRO B 86 8.449 16.793 4.049 1.00 51.42 H new ATOM 0 HD3 PRO B 86 7.282 17.674 3.084 1.00 51.42 H new ATOM 3145 N THR B 87 8.410 13.302 4.118 1.00 64.53 N ATOM 3146 CA THR B 87 8.739 12.142 4.973 1.00 71.44 C ATOM 3147 C THR B 87 7.515 11.212 5.166 1.00 35.43 C ATOM 3148 O THR B 87 7.675 9.992 5.228 1.00 22.41 O ATOM 3149 CB THR B 87 9.290 12.608 6.362 1.00 43.32 C ATOM 3150 OG1 THR B 87 10.352 13.558 6.165 1.00 42.14 O ATOM 3151 CG2 THR B 87 9.811 11.429 7.218 1.00 64.02 C ATOM 0 H THR B 87 8.526 14.196 4.595 1.00 64.53 H new ATOM 0 HA THR B 87 9.517 11.574 4.463 1.00 71.44 H new ATOM 0 HB THR B 87 8.461 13.066 6.902 1.00 43.32 H new ATOM 0 HG1 THR B 87 10.695 13.850 7.035 1.00 42.14 H new ATOM 0 HG21 THR B 87 10.182 11.807 8.171 1.00 64.02 H new ATOM 0 HG22 THR B 87 9.000 10.724 7.398 1.00 64.02 H new ATOM 0 HG23 THR B 87 10.619 10.924 6.689 1.00 64.02 H new ATOM 3159 N LEU B 88 6.302 11.814 5.254 1.00 53.30 N ATOM 3160 CA LEU B 88 5.022 11.066 5.306 1.00 14.25 C ATOM 3161 C LEU B 88 4.894 10.128 4.092 1.00 50.53 C ATOM 3162 O LEU B 88 4.546 8.951 4.244 1.00 3.50 O ATOM 3163 CB LEU B 88 3.818 12.058 5.351 1.00 15.32 C ATOM 3164 CG LEU B 88 3.514 12.718 6.733 1.00 4.53 C ATOM 3165 CD1 LEU B 88 2.504 13.874 6.590 1.00 62.14 C ATOM 3166 CD2 LEU B 88 3.006 11.664 7.748 1.00 24.20 C ATOM 0 H LEU B 88 6.185 12.827 5.291 1.00 53.30 H new ATOM 0 HA LEU B 88 5.013 10.461 6.213 1.00 14.25 H new ATOM 0 HB2 LEU B 88 4.002 12.851 4.626 1.00 15.32 H new ATOM 0 HB3 LEU B 88 2.925 11.527 5.022 1.00 15.32 H new ATOM 0 HG LEU B 88 4.446 13.136 7.114 1.00 4.53 H new ATOM 0 HD11 LEU B 88 2.313 14.313 7.569 1.00 62.14 H new ATOM 0 HD12 LEU B 88 2.913 14.634 5.925 1.00 62.14 H new ATOM 0 HD13 LEU B 88 1.571 13.493 6.175 1.00 62.14 H new ATOM 0 HD21 LEU B 88 2.801 12.148 8.703 1.00 24.20 H new ATOM 0 HD22 LEU B 88 2.092 11.206 7.370 1.00 24.20 H new ATOM 0 HD23 LEU B 88 3.767 10.896 7.886 1.00 24.20 H new ATOM 3178 N PHE B 89 5.196 10.668 2.899 1.00 4.44 N ATOM 3179 CA PHE B 89 5.133 9.913 1.635 1.00 62.45 C ATOM 3180 C PHE B 89 6.250 8.873 1.551 1.00 62.34 C ATOM 3181 O PHE B 89 6.033 7.798 1.009 1.00 70.32 O ATOM 3182 CB PHE B 89 5.174 10.869 0.420 1.00 55.23 C ATOM 3183 CG PHE B 89 3.961 11.787 0.362 1.00 11.44 C ATOM 3184 CD1 PHE B 89 4.075 13.166 0.526 1.00 11.45 C ATOM 3185 CD2 PHE B 89 2.689 11.250 0.176 1.00 14.13 C ATOM 3186 CE1 PHE B 89 2.961 13.976 0.494 1.00 21.01 C ATOM 3187 CE2 PHE B 89 1.582 12.057 0.147 1.00 3.13 C ATOM 3188 CZ PHE B 89 1.714 13.423 0.305 1.00 13.52 C ATOM 0 H PHE B 89 5.490 11.638 2.783 1.00 4.44 H new ATOM 0 HA PHE B 89 4.183 9.379 1.615 1.00 62.45 H new ATOM 0 HB2 PHE B 89 6.081 11.472 0.466 1.00 55.23 H new ATOM 0 HB3 PHE B 89 5.227 10.283 -0.498 1.00 55.23 H new ATOM 0 HD1 PHE B 89 5.049 13.606 0.680 1.00 11.45 H new ATOM 0 HD2 PHE B 89 2.574 10.183 0.053 1.00 14.13 H new ATOM 0 HE1 PHE B 89 3.066 15.044 0.617 1.00 21.01 H new ATOM 0 HE2 PHE B 89 0.604 11.624 0.000 1.00 3.13 H new ATOM 0 HZ PHE B 89 0.840 14.057 0.280 1.00 13.52 H new ATOM 3198 N GLU B 90 7.430 9.193 2.112 1.00 3.40 N ATOM 3199 CA GLU B 90 8.578 8.269 2.157 1.00 72.52 C ATOM 3200 C GLU B 90 8.248 7.025 3.012 1.00 15.12 C ATOM 3201 O GLU B 90 8.711 5.919 2.713 1.00 0.55 O ATOM 3202 CB GLU B 90 9.822 8.995 2.723 1.00 30.23 C ATOM 3203 CG GLU B 90 10.301 10.210 1.901 1.00 34.21 C ATOM 3204 CD GLU B 90 10.812 9.823 0.503 1.00 53.22 C ATOM 3205 OE1 GLU B 90 10.034 9.872 -0.479 1.00 53.22 O ATOM 3206 OE2 GLU B 90 11.999 9.443 0.391 1.00 1.40 O ATOM 0 H GLU B 90 7.615 10.097 2.546 1.00 3.40 H new ATOM 0 HA GLU B 90 8.793 7.937 1.141 1.00 72.52 H new ATOM 0 HB2 GLU B 90 9.600 9.327 3.737 1.00 30.23 H new ATOM 0 HB3 GLU B 90 10.640 8.279 2.794 1.00 30.23 H new ATOM 0 HG2 GLU B 90 9.480 10.919 1.799 1.00 34.21 H new ATOM 0 HG3 GLU B 90 11.096 10.719 2.445 1.00 34.21 H new ATOM 3213 N LEU B 91 7.443 7.234 4.080 1.00 65.24 N ATOM 3214 CA LEU B 91 6.946 6.149 4.947 1.00 61.13 C ATOM 3215 C LEU B 91 5.931 5.268 4.181 1.00 22.53 C ATOM 3216 O LEU B 91 5.935 4.046 4.335 1.00 22.21 O ATOM 3217 CB LEU B 91 6.301 6.726 6.241 1.00 74.44 C ATOM 3218 CG LEU B 91 7.259 7.493 7.214 1.00 41.54 C ATOM 3219 CD1 LEU B 91 6.478 8.152 8.370 1.00 13.31 C ATOM 3220 CD2 LEU B 91 8.375 6.567 7.752 1.00 44.41 C ATOM 0 H LEU B 91 7.122 8.160 4.362 1.00 65.24 H new ATOM 0 HA LEU B 91 7.794 5.529 5.238 1.00 61.13 H new ATOM 0 HB2 LEU B 91 5.497 7.402 5.950 1.00 74.44 H new ATOM 0 HB3 LEU B 91 5.843 5.904 6.790 1.00 74.44 H new ATOM 0 HG LEU B 91 7.736 8.289 6.642 1.00 41.54 H new ATOM 0 HD11 LEU B 91 7.173 8.676 9.026 1.00 13.31 H new ATOM 0 HD12 LEU B 91 5.757 8.862 7.964 1.00 13.31 H new ATOM 0 HD13 LEU B 91 5.951 7.385 8.937 1.00 13.31 H new ATOM 0 HD21 LEU B 91 9.022 7.130 8.424 1.00 44.41 H new ATOM 0 HD22 LEU B 91 7.927 5.734 8.293 1.00 44.41 H new ATOM 0 HD23 LEU B 91 8.963 6.184 6.918 1.00 44.41 H new ATOM 3232 N ILE B 92 5.075 5.917 3.349 1.00 13.10 N ATOM 3233 CA ILE B 92 4.076 5.226 2.492 1.00 11.12 C ATOM 3234 C ILE B 92 4.786 4.367 1.414 1.00 63.21 C ATOM 3235 O ILE B 92 4.392 3.216 1.173 1.00 11.21 O ATOM 3236 CB ILE B 92 3.095 6.266 1.803 1.00 51.41 C ATOM 3237 CG1 ILE B 92 2.275 7.051 2.882 1.00 22.24 C ATOM 3238 CG2 ILE B 92 2.144 5.589 0.773 1.00 62.43 C ATOM 3239 CD1 ILE B 92 1.374 8.156 2.340 1.00 63.10 C ATOM 0 H ILE B 92 5.058 6.932 3.254 1.00 13.10 H new ATOM 0 HA ILE B 92 3.484 4.571 3.132 1.00 11.12 H new ATOM 0 HB ILE B 92 3.714 6.972 1.250 1.00 51.41 H new ATOM 0 HG12 ILE B 92 1.659 6.341 3.434 1.00 22.24 H new ATOM 0 HG13 ILE B 92 2.972 7.491 3.595 1.00 22.24 H new ATOM 0 HG21 ILE B 92 1.493 6.342 0.329 1.00 62.43 H new ATOM 0 HG22 ILE B 92 2.735 5.113 -0.010 1.00 62.43 H new ATOM 0 HG23 ILE B 92 1.537 4.837 1.277 1.00 62.43 H new ATOM 0 HD11 ILE B 92 0.851 8.637 3.166 1.00 63.10 H new ATOM 0 HD12 ILE B 92 1.980 8.894 1.815 1.00 63.10 H new ATOM 0 HD13 ILE B 92 0.646 7.727 1.651 1.00 63.10 H new ATOM 3251 N LEU B 93 5.845 4.938 0.799 1.00 14.11 N ATOM 3252 CA LEU B 93 6.608 4.285 -0.283 1.00 42.44 C ATOM 3253 C LEU B 93 7.389 3.076 0.258 1.00 25.34 C ATOM 3254 O LEU B 93 7.446 2.028 -0.392 1.00 32.13 O ATOM 3255 CB LEU B 93 7.577 5.294 -0.974 1.00 33.21 C ATOM 3256 CG LEU B 93 6.908 6.504 -1.704 1.00 74.23 C ATOM 3257 CD1 LEU B 93 7.959 7.436 -2.343 1.00 21.44 C ATOM 3258 CD2 LEU B 93 5.860 6.036 -2.737 1.00 3.24 C ATOM 0 H LEU B 93 6.194 5.866 1.040 1.00 14.11 H new ATOM 0 HA LEU B 93 5.896 3.933 -1.030 1.00 42.44 H new ATOM 0 HB2 LEU B 93 8.260 5.684 -0.220 1.00 33.21 H new ATOM 0 HB3 LEU B 93 8.181 4.748 -1.699 1.00 33.21 H new ATOM 0 HG LEU B 93 6.380 7.085 -0.948 1.00 74.23 H new ATOM 0 HD11 LEU B 93 7.456 8.265 -2.841 1.00 21.44 H new ATOM 0 HD12 LEU B 93 8.619 7.825 -1.568 1.00 21.44 H new ATOM 0 HD13 LEU B 93 8.546 6.877 -3.072 1.00 21.44 H new ATOM 0 HD21 LEU B 93 5.416 6.904 -3.224 1.00 3.24 H new ATOM 0 HD22 LEU B 93 6.342 5.407 -3.485 1.00 3.24 H new ATOM 0 HD23 LEU B 93 5.080 5.466 -2.232 1.00 3.24 H new ATOM 3270 N ALA B 94 7.968 3.238 1.466 1.00 22.25 N ATOM 3271 CA ALA B 94 8.734 2.180 2.151 1.00 43.00 C ATOM 3272 C ALA B 94 7.809 1.066 2.673 1.00 41.33 C ATOM 3273 O ALA B 94 8.205 -0.099 2.729 1.00 2.14 O ATOM 3274 CB ALA B 94 9.555 2.777 3.302 1.00 2.30 C ATOM 0 H ALA B 94 7.916 4.109 1.994 1.00 22.25 H new ATOM 0 HA ALA B 94 9.414 1.735 1.425 1.00 43.00 H new ATOM 0 HB1 ALA B 94 10.115 1.985 3.799 1.00 2.30 H new ATOM 0 HB2 ALA B 94 10.249 3.519 2.907 1.00 2.30 H new ATOM 0 HB3 ALA B 94 8.885 3.252 4.019 1.00 2.30 H new ATOM 3280 N ALA B 95 6.579 1.446 3.060 1.00 34.21 N ATOM 3281 CA ALA B 95 5.560 0.505 3.560 1.00 73.44 C ATOM 3282 C ALA B 95 4.997 -0.354 2.422 1.00 63.40 C ATOM 3283 O ALA B 95 4.639 -1.504 2.635 1.00 1.34 O ATOM 3284 CB ALA B 95 4.430 1.267 4.253 1.00 54.50 C ATOM 0 H ALA B 95 6.262 2.415 3.035 1.00 34.21 H new ATOM 0 HA ALA B 95 6.037 -0.157 4.282 1.00 73.44 H new ATOM 0 HB1 ALA B 95 3.685 0.560 4.617 1.00 54.50 H new ATOM 0 HB2 ALA B 95 4.834 1.833 5.092 1.00 54.50 H new ATOM 0 HB3 ALA B 95 3.965 1.952 3.544 1.00 54.50 H new ATOM 3290 N ASN B 96 4.900 0.250 1.225 1.00 33.22 N ATOM 3291 CA ASN B 96 4.480 -0.443 -0.010 1.00 24.43 C ATOM 3292 C ASN B 96 5.618 -1.358 -0.520 1.00 33.44 C ATOM 3293 O ASN B 96 5.369 -2.482 -0.974 1.00 44.42 O ATOM 3294 CB ASN B 96 4.078 0.605 -1.086 1.00 51.12 C ATOM 3295 CG ASN B 96 3.650 0.002 -2.437 1.00 21.23 C ATOM 3296 OD1 ASN B 96 3.115 -1.105 -2.511 1.00 33.33 O ATOM 3297 ND2 ASN B 96 3.863 0.742 -3.512 1.00 74.23 N ATOM 0 H ASN B 96 5.111 1.238 1.084 1.00 33.22 H new ATOM 0 HA ASN B 96 3.614 -1.070 0.201 1.00 24.43 H new ATOM 0 HB2 ASN B 96 3.259 1.210 -0.697 1.00 51.12 H new ATOM 0 HB3 ASN B 96 4.920 1.277 -1.253 1.00 51.12 H new ATOM 0 HD21 ASN B 96 3.582 0.399 -4.431 1.00 74.23 H new ATOM 0 HD22 ASN B 96 4.308 1.655 -3.422 1.00 74.23 H new ATOM 3304 N TYR B 97 6.866 -0.855 -0.401 1.00 25.32 N ATOM 3305 CA TYR B 97 8.094 -1.576 -0.807 1.00 72.40 C ATOM 3306 C TYR B 97 8.311 -2.835 0.061 1.00 41.42 C ATOM 3307 O TYR B 97 8.699 -3.890 -0.448 1.00 61.21 O ATOM 3308 CB TYR B 97 9.316 -0.608 -0.717 1.00 50.44 C ATOM 3309 CG TYR B 97 10.702 -1.263 -0.902 1.00 64.30 C ATOM 3310 CD1 TYR B 97 11.633 -1.313 0.145 1.00 2.51 C ATOM 3311 CD2 TYR B 97 11.069 -1.843 -2.122 1.00 25.11 C ATOM 3312 CE1 TYR B 97 12.866 -1.912 -0.019 1.00 73.41 C ATOM 3313 CE2 TYR B 97 12.306 -2.441 -2.287 1.00 31.32 C ATOM 3314 CZ TYR B 97 13.200 -2.475 -1.233 1.00 4.34 C ATOM 3315 OH TYR B 97 14.436 -3.069 -1.390 1.00 11.32 O ATOM 0 H TYR B 97 7.052 0.071 -0.017 1.00 25.32 H new ATOM 0 HA TYR B 97 7.986 -1.912 -1.838 1.00 72.40 H new ATOM 0 HB2 TYR B 97 9.198 0.169 -1.472 1.00 50.44 H new ATOM 0 HB3 TYR B 97 9.294 -0.114 0.254 1.00 50.44 H new ATOM 0 HD1 TYR B 97 11.381 -0.874 1.099 1.00 2.51 H new ATOM 0 HD2 TYR B 97 10.375 -1.823 -2.949 1.00 25.11 H new ATOM 0 HE1 TYR B 97 13.568 -1.940 0.802 1.00 73.41 H new ATOM 0 HE2 TYR B 97 12.572 -2.880 -3.237 1.00 31.32 H new ATOM 0 HH TYR B 97 14.517 -3.419 -2.302 1.00 11.32 H new ATOM 3325 N LEU B 98 8.054 -2.702 1.376 1.00 63.23 N ATOM 3326 CA LEU B 98 8.216 -3.803 2.358 1.00 65.35 C ATOM 3327 C LEU B 98 6.881 -4.540 2.613 1.00 50.31 C ATOM 3328 O LEU B 98 6.845 -5.550 3.337 1.00 74.35 O ATOM 3329 CB LEU B 98 8.836 -3.250 3.671 1.00 43.30 C ATOM 3330 CG LEU B 98 10.259 -2.610 3.528 1.00 54.30 C ATOM 3331 CD1 LEU B 98 10.796 -2.108 4.881 1.00 53.45 C ATOM 3332 CD2 LEU B 98 11.246 -3.593 2.861 1.00 50.14 C ATOM 0 H LEU B 98 7.728 -1.830 1.793 1.00 63.23 H new ATOM 0 HA LEU B 98 8.900 -4.543 1.943 1.00 65.35 H new ATOM 0 HB2 LEU B 98 8.160 -2.501 4.084 1.00 43.30 H new ATOM 0 HB3 LEU B 98 8.893 -4.062 4.395 1.00 43.30 H new ATOM 0 HG LEU B 98 10.163 -1.741 2.877 1.00 54.30 H new ATOM 0 HD11 LEU B 98 11.785 -1.671 4.741 1.00 53.45 H new ATOM 0 HD12 LEU B 98 10.120 -1.354 5.284 1.00 53.45 H new ATOM 0 HD13 LEU B 98 10.864 -2.943 5.578 1.00 53.45 H new ATOM 0 HD21 LEU B 98 12.225 -3.123 2.774 1.00 50.14 H new ATOM 0 HD22 LEU B 98 11.329 -4.494 3.469 1.00 50.14 H new ATOM 0 HD23 LEU B 98 10.881 -3.857 1.868 1.00 50.14 H new ATOM 3344 N ASP B 99 5.797 -4.018 1.998 1.00 20.31 N ATOM 3345 CA ASP B 99 4.439 -4.619 1.997 1.00 34.42 C ATOM 3346 C ASP B 99 3.854 -4.716 3.427 1.00 1.43 C ATOM 3347 O ASP B 99 3.027 -5.587 3.732 1.00 44.33 O ATOM 3348 CB ASP B 99 4.448 -5.990 1.266 1.00 33.25 C ATOM 3349 CG ASP B 99 3.096 -6.334 0.613 1.00 15.14 C ATOM 3350 OD1 ASP B 99 2.842 -5.832 -0.497 1.00 44.43 O ATOM 3351 OD2 ASP B 99 2.297 -7.104 1.191 1.00 10.14 O ATOM 0 H ASP B 99 5.840 -3.144 1.474 1.00 20.31 H new ATOM 0 HA ASP B 99 3.775 -3.957 1.441 1.00 34.42 H new ATOM 0 HB2 ASP B 99 5.223 -5.982 0.500 1.00 33.25 H new ATOM 0 HB3 ASP B 99 4.711 -6.773 1.977 1.00 33.25 H new ATOM 3356 N ILE B 100 4.277 -3.779 4.295 1.00 32.04 N ATOM 3357 CA ILE B 100 3.781 -3.673 5.675 1.00 42.43 C ATOM 3358 C ILE B 100 2.443 -2.925 5.663 1.00 50.31 C ATOM 3359 O ILE B 100 2.402 -1.691 5.685 1.00 73.53 O ATOM 3360 CB ILE B 100 4.812 -2.946 6.619 1.00 31.01 C ATOM 3361 CG1 ILE B 100 6.209 -3.620 6.478 1.00 22.55 C ATOM 3362 CG2 ILE B 100 4.321 -2.943 8.098 1.00 33.22 C ATOM 3363 CD1 ILE B 100 7.315 -2.989 7.290 1.00 4.24 C ATOM 0 H ILE B 100 4.974 -3.074 4.056 1.00 32.04 H new ATOM 0 HA ILE B 100 3.645 -4.679 6.073 1.00 42.43 H new ATOM 0 HB ILE B 100 4.897 -1.903 6.316 1.00 31.01 H new ATOM 0 HG12 ILE B 100 6.120 -4.667 6.768 1.00 22.55 H new ATOM 0 HG13 ILE B 100 6.498 -3.604 5.427 1.00 22.55 H new ATOM 0 HG21 ILE B 100 5.054 -2.434 8.724 1.00 33.22 H new ATOM 0 HG22 ILE B 100 3.365 -2.423 8.163 1.00 33.22 H new ATOM 0 HG23 ILE B 100 4.200 -3.970 8.443 1.00 33.22 H new ATOM 0 HD11 ILE B 100 8.245 -3.532 7.122 1.00 4.24 H new ATOM 0 HD12 ILE B 100 7.441 -1.950 6.987 1.00 4.24 H new ATOM 0 HD13 ILE B 100 7.058 -3.030 8.348 1.00 4.24 H new ATOM 3375 N LYS B 101 1.363 -3.713 5.577 1.00 62.21 N ATOM 3376 CA LYS B 101 -0.024 -3.213 5.488 1.00 14.52 C ATOM 3377 C LYS B 101 -0.432 -2.362 6.730 1.00 55.22 C ATOM 3378 O LYS B 101 -1.106 -1.346 6.543 1.00 14.21 O ATOM 3379 CB LYS B 101 -1.009 -4.394 5.271 1.00 64.10 C ATOM 3380 CG LYS B 101 -0.568 -5.378 4.164 1.00 10.41 C ATOM 3381 CD LYS B 101 -1.555 -6.548 3.952 1.00 35.52 C ATOM 3382 CE LYS B 101 -0.985 -7.640 3.022 1.00 4.20 C ATOM 3383 NZ LYS B 101 -0.444 -7.061 1.767 1.00 24.42 N ATOM 0 H LYS B 101 1.424 -4.731 5.567 1.00 62.21 H new ATOM 0 HA LYS B 101 -0.076 -2.548 4.626 1.00 14.52 H new ATOM 0 HB2 LYS B 101 -1.118 -4.941 6.208 1.00 64.10 H new ATOM 0 HB3 LYS B 101 -1.991 -3.994 5.019 1.00 64.10 H new ATOM 0 HG2 LYS B 101 -0.457 -4.832 3.227 1.00 10.41 H new ATOM 0 HG3 LYS B 101 0.413 -5.781 4.417 1.00 10.41 H new ATOM 0 HD2 LYS B 101 -1.802 -6.990 4.917 1.00 35.52 H new ATOM 0 HD3 LYS B 101 -2.484 -6.164 3.530 1.00 35.52 H new ATOM 0 HE2 LYS B 101 -0.197 -8.186 3.541 1.00 4.20 H new ATOM 0 HE3 LYS B 101 -1.767 -8.360 2.783 1.00 4.20 H new ATOM 0 HZ1 LYS B 101 -0.542 -7.752 0.996 1.00 24.42 H new ATOM 0 HZ2 LYS B 101 -0.971 -6.197 1.528 1.00 24.42 H new ATOM 0 HZ3 LYS B 101 0.561 -6.828 1.897 1.00 24.42 H new ATOM 3397 N PRO B 102 -0.079 -2.770 8.025 1.00 22.34 N ATOM 3398 CA PRO B 102 -0.330 -1.926 9.231 1.00 10.12 C ATOM 3399 C PRO B 102 0.261 -0.501 9.116 1.00 43.24 C ATOM 3400 O PRO B 102 -0.467 0.475 9.289 1.00 75.53 O ATOM 3401 CB PRO B 102 0.329 -2.735 10.386 1.00 24.34 C ATOM 3402 CG PRO B 102 0.293 -4.152 9.924 1.00 52.14 C ATOM 3403 CD PRO B 102 0.517 -4.089 8.429 1.00 44.24 C ATOM 0 HA PRO B 102 -1.394 -1.747 9.384 1.00 10.12 H new ATOM 0 HB2 PRO B 102 1.351 -2.404 10.568 1.00 24.34 H new ATOM 0 HB3 PRO B 102 -0.218 -2.609 11.320 1.00 24.34 H new ATOM 0 HG2 PRO B 102 1.066 -4.745 10.413 1.00 52.14 H new ATOM 0 HG3 PRO B 102 -0.664 -4.618 10.159 1.00 52.14 H new ATOM 0 HD2 PRO B 102 1.577 -4.140 8.182 1.00 44.24 H new ATOM 0 HD3 PRO B 102 0.031 -4.920 7.918 1.00 44.24 H new ATOM 3411 N LEU B 103 1.568 -0.393 8.791 1.00 21.42 N ATOM 3412 CA LEU B 103 2.278 0.913 8.713 1.00 41.30 C ATOM 3413 C LEU B 103 1.753 1.736 7.523 1.00 1.22 C ATOM 3414 O LEU B 103 1.587 2.954 7.635 1.00 21.34 O ATOM 3415 CB LEU B 103 3.834 0.705 8.640 1.00 53.22 C ATOM 3416 CG LEU B 103 4.768 1.978 8.814 1.00 13.32 C ATOM 3417 CD1 LEU B 103 5.043 2.727 7.494 1.00 52.41 C ATOM 3418 CD2 LEU B 103 4.194 2.941 9.869 1.00 52.33 C ATOM 0 H LEU B 103 2.159 -1.196 8.577 1.00 21.42 H new ATOM 0 HA LEU B 103 2.074 1.477 9.623 1.00 41.30 H new ATOM 0 HB2 LEU B 103 4.110 -0.018 9.407 1.00 53.22 H new ATOM 0 HB3 LEU B 103 4.065 0.251 7.676 1.00 53.22 H new ATOM 0 HG LEU B 103 5.730 1.597 9.158 1.00 13.32 H new ATOM 0 HD11 LEU B 103 5.687 3.584 7.690 1.00 52.41 H new ATOM 0 HD12 LEU B 103 5.536 2.056 6.791 1.00 52.41 H new ATOM 0 HD13 LEU B 103 4.101 3.071 7.068 1.00 52.41 H new ATOM 0 HD21 LEU B 103 4.852 3.804 9.970 1.00 52.33 H new ATOM 0 HD22 LEU B 103 3.204 3.273 9.558 1.00 52.33 H new ATOM 0 HD23 LEU B 103 4.120 2.428 10.828 1.00 52.33 H new ATOM 3430 N LEU B 104 1.499 1.046 6.405 1.00 73.04 N ATOM 3431 CA LEU B 104 0.950 1.645 5.181 1.00 23.32 C ATOM 3432 C LEU B 104 -0.397 2.317 5.469 1.00 4.04 C ATOM 3433 O LEU B 104 -0.609 3.478 5.107 1.00 15.44 O ATOM 3434 CB LEU B 104 0.787 0.542 4.107 1.00 61.34 C ATOM 3435 CG LEU B 104 0.256 0.985 2.711 1.00 34.20 C ATOM 3436 CD1 LEU B 104 1.210 1.993 2.031 1.00 33.32 C ATOM 3437 CD2 LEU B 104 0.000 -0.247 1.825 1.00 44.11 C ATOM 0 H LEU B 104 1.671 0.044 6.323 1.00 73.04 H new ATOM 0 HA LEU B 104 1.635 2.410 4.814 1.00 23.32 H new ATOM 0 HB2 LEU B 104 1.756 0.063 3.964 1.00 61.34 H new ATOM 0 HB3 LEU B 104 0.111 -0.217 4.501 1.00 61.34 H new ATOM 0 HG LEU B 104 -0.692 1.503 2.854 1.00 34.20 H new ATOM 0 HD11 LEU B 104 0.806 2.278 1.060 1.00 33.32 H new ATOM 0 HD12 LEU B 104 1.309 2.879 2.657 1.00 33.32 H new ATOM 0 HD13 LEU B 104 2.189 1.533 1.896 1.00 33.32 H new ATOM 0 HD21 LEU B 104 -0.371 0.075 0.852 1.00 44.11 H new ATOM 0 HD22 LEU B 104 0.930 -0.800 1.694 1.00 44.11 H new ATOM 0 HD23 LEU B 104 -0.741 -0.890 2.301 1.00 44.11 H new ATOM 3449 N ASP B 105 -1.266 1.579 6.178 1.00 61.25 N ATOM 3450 CA ASP B 105 -2.630 2.011 6.489 1.00 51.42 C ATOM 3451 C ASP B 105 -2.615 3.209 7.446 1.00 63.15 C ATOM 3452 O ASP B 105 -3.226 4.233 7.158 1.00 34.23 O ATOM 3453 CB ASP B 105 -3.456 0.837 7.085 1.00 64.50 C ATOM 3454 CG ASP B 105 -4.953 1.164 7.160 1.00 71.13 C ATOM 3455 OD1 ASP B 105 -5.647 1.032 6.126 1.00 33.34 O ATOM 3456 OD2 ASP B 105 -5.438 1.591 8.234 1.00 30.13 O ATOM 0 H ASP B 105 -1.036 0.659 6.553 1.00 61.25 H new ATOM 0 HA ASP B 105 -3.108 2.325 5.561 1.00 51.42 H new ATOM 0 HB2 ASP B 105 -3.310 -0.054 6.475 1.00 64.50 H new ATOM 0 HB3 ASP B 105 -3.086 0.604 8.083 1.00 64.50 H new ATOM 3461 N VAL B 106 -1.863 3.077 8.560 1.00 41.44 N ATOM 3462 CA VAL B 106 -1.756 4.120 9.601 1.00 2.30 C ATOM 3463 C VAL B 106 -1.232 5.449 9.015 1.00 70.20 C ATOM 3464 O VAL B 106 -1.832 6.498 9.247 1.00 14.42 O ATOM 3465 CB VAL B 106 -0.849 3.646 10.809 1.00 33.00 C ATOM 3466 CG1 VAL B 106 -0.556 4.788 11.825 1.00 70.11 C ATOM 3467 CG2 VAL B 106 -1.507 2.439 11.530 1.00 55.32 C ATOM 0 H VAL B 106 -1.312 2.242 8.762 1.00 41.44 H new ATOM 0 HA VAL B 106 -2.761 4.293 9.985 1.00 2.30 H new ATOM 0 HB VAL B 106 0.110 3.343 10.389 1.00 33.00 H new ATOM 0 HG11 VAL B 106 0.070 4.406 12.632 1.00 70.11 H new ATOM 0 HG12 VAL B 106 -0.037 5.602 11.318 1.00 70.11 H new ATOM 0 HG13 VAL B 106 -1.495 5.157 12.238 1.00 70.11 H new ATOM 0 HG21 VAL B 106 -0.875 2.121 12.359 1.00 55.32 H new ATOM 0 HG22 VAL B 106 -2.485 2.732 11.911 1.00 55.32 H new ATOM 0 HG23 VAL B 106 -1.624 1.615 10.827 1.00 55.32 H new ATOM 3477 N THR B 107 -0.140 5.381 8.225 1.00 3.33 N ATOM 3478 CA THR B 107 0.505 6.576 7.653 1.00 3.44 C ATOM 3479 C THR B 107 -0.394 7.246 6.588 1.00 35.31 C ATOM 3480 O THR B 107 -0.526 8.471 6.579 1.00 72.23 O ATOM 3481 CB THR B 107 1.910 6.243 7.055 1.00 32.11 C ATOM 3482 OG1 THR B 107 2.704 5.589 8.059 1.00 73.01 O ATOM 3483 CG2 THR B 107 2.654 7.505 6.576 1.00 44.10 C ATOM 0 H THR B 107 0.314 4.504 7.969 1.00 3.33 H new ATOM 0 HA THR B 107 0.649 7.283 8.470 1.00 3.44 H new ATOM 0 HB THR B 107 1.757 5.596 6.191 1.00 32.11 H new ATOM 0 HG1 THR B 107 2.486 4.634 8.078 1.00 73.01 H new ATOM 0 HG21 THR B 107 3.625 7.222 6.169 1.00 44.10 H new ATOM 0 HG22 THR B 107 2.067 8.002 5.804 1.00 44.10 H new ATOM 0 HG23 THR B 107 2.797 8.184 7.417 1.00 44.10 H new ATOM 3491 N CYS B 108 -1.030 6.429 5.715 1.00 60.33 N ATOM 3492 CA CYS B 108 -1.948 6.935 4.666 1.00 74.43 C ATOM 3493 C CYS B 108 -3.202 7.584 5.291 1.00 74.44 C ATOM 3494 O CYS B 108 -3.740 8.559 4.749 1.00 1.34 O ATOM 3495 CB CYS B 108 -2.351 5.803 3.692 1.00 72.22 C ATOM 3496 SG CYS B 108 -0.971 5.147 2.719 1.00 35.14 S ATOM 0 H CYS B 108 -0.924 5.415 5.717 1.00 60.33 H new ATOM 0 HA CYS B 108 -1.416 7.700 4.100 1.00 74.43 H new ATOM 0 HB2 CYS B 108 -2.800 4.990 4.262 1.00 72.22 H new ATOM 0 HB3 CYS B 108 -3.117 6.177 3.012 1.00 72.22 H new ATOM 0 HG CYS B 108 -0.370 4.212 3.393 1.00 35.14 H new ATOM 3502 N LYS B 109 -3.652 7.024 6.442 1.00 21.24 N ATOM 3503 CA LYS B 109 -4.771 7.572 7.235 1.00 51.22 C ATOM 3504 C LYS B 109 -4.345 8.875 7.924 1.00 33.55 C ATOM 3505 O LYS B 109 -5.145 9.786 8.019 1.00 2.53 O ATOM 3506 CB LYS B 109 -5.318 6.530 8.283 1.00 61.43 C ATOM 3507 CG LYS B 109 -6.517 5.667 7.790 1.00 61.15 C ATOM 3508 CD LYS B 109 -6.223 4.882 6.484 1.00 30.41 C ATOM 3509 CE LYS B 109 -7.420 4.051 5.987 1.00 62.53 C ATOM 3510 NZ LYS B 109 -7.809 2.988 6.951 1.00 13.14 N ATOM 0 H LYS B 109 -3.246 6.179 6.843 1.00 21.24 H new ATOM 0 HA LYS B 109 -5.589 7.790 6.549 1.00 51.22 H new ATOM 0 HB2 LYS B 109 -4.504 5.864 8.569 1.00 61.43 H new ATOM 0 HB3 LYS B 109 -5.622 7.067 9.182 1.00 61.43 H new ATOM 0 HG2 LYS B 109 -6.792 4.961 8.574 1.00 61.15 H new ATOM 0 HG3 LYS B 109 -7.378 6.315 7.628 1.00 61.15 H new ATOM 0 HD2 LYS B 109 -5.930 5.585 5.704 1.00 30.41 H new ATOM 0 HD3 LYS B 109 -5.374 4.219 6.651 1.00 30.41 H new ATOM 0 HE2 LYS B 109 -8.270 4.711 5.814 1.00 62.53 H new ATOM 0 HE3 LYS B 109 -7.170 3.595 5.029 1.00 62.53 H new ATOM 0 HZ1 LYS B 109 -8.183 2.168 6.432 1.00 13.14 H new ATOM 0 HZ2 LYS B 109 -6.976 2.698 7.503 1.00 13.14 H new ATOM 0 HZ3 LYS B 109 -8.540 3.353 7.594 1.00 13.14 H new ATOM 3524 N THR B 110 -3.074 8.951 8.378 1.00 4.43 N ATOM 3525 CA THR B 110 -2.505 10.153 9.032 1.00 32.51 C ATOM 3526 C THR B 110 -2.493 11.354 8.062 1.00 32.11 C ATOM 3527 O THR B 110 -2.899 12.466 8.429 1.00 55.42 O ATOM 3528 CB THR B 110 -1.060 9.879 9.579 1.00 32.34 C ATOM 3529 OG1 THR B 110 -1.116 8.837 10.569 1.00 60.51 O ATOM 3530 CG2 THR B 110 -0.406 11.129 10.200 1.00 43.43 C ATOM 0 H THR B 110 -2.412 8.179 8.301 1.00 4.43 H new ATOM 0 HA THR B 110 -3.145 10.397 9.880 1.00 32.51 H new ATOM 0 HB THR B 110 -0.447 9.580 8.729 1.00 32.34 H new ATOM 0 HG1 THR B 110 -1.368 7.992 10.141 1.00 60.51 H new ATOM 0 HG21 THR B 110 0.591 10.877 10.560 1.00 43.43 H new ATOM 0 HG22 THR B 110 -0.332 11.913 9.447 1.00 43.43 H new ATOM 0 HG23 THR B 110 -1.014 11.482 11.033 1.00 43.43 H new ATOM 3538 N VAL B 111 -2.035 11.103 6.816 1.00 21.23 N ATOM 3539 CA VAL B 111 -2.011 12.117 5.747 1.00 71.21 C ATOM 3540 C VAL B 111 -3.456 12.521 5.366 1.00 65.12 C ATOM 3541 O VAL B 111 -3.741 13.700 5.095 1.00 12.02 O ATOM 3542 CB VAL B 111 -1.228 11.611 4.470 1.00 42.31 C ATOM 3543 CG1 VAL B 111 -1.119 12.723 3.395 1.00 1.45 C ATOM 3544 CG2 VAL B 111 0.180 11.089 4.848 1.00 55.15 C ATOM 0 H VAL B 111 -1.673 10.194 6.527 1.00 21.23 H new ATOM 0 HA VAL B 111 -1.481 12.989 6.130 1.00 71.21 H new ATOM 0 HB VAL B 111 -1.800 10.785 4.047 1.00 42.31 H new ATOM 0 HG11 VAL B 111 -0.575 12.342 2.531 1.00 1.45 H new ATOM 0 HG12 VAL B 111 -2.118 13.031 3.088 1.00 1.45 H new ATOM 0 HG13 VAL B 111 -0.587 13.579 3.810 1.00 1.45 H new ATOM 0 HG21 VAL B 111 0.695 10.748 3.950 1.00 55.15 H new ATOM 0 HG22 VAL B 111 0.753 11.892 5.312 1.00 55.15 H new ATOM 0 HG23 VAL B 111 0.085 10.260 5.549 1.00 55.15 H new ATOM 3554 N ALA B 112 -4.357 11.520 5.384 1.00 64.03 N ATOM 3555 CA ALA B 112 -5.787 11.719 5.120 1.00 32.22 C ATOM 3556 C ALA B 112 -6.441 12.566 6.234 1.00 45.31 C ATOM 3557 O ALA B 112 -7.295 13.388 5.944 1.00 51.10 O ATOM 3558 CB ALA B 112 -6.513 10.366 4.967 1.00 23.24 C ATOM 0 H ALA B 112 -4.109 10.551 5.583 1.00 64.03 H new ATOM 0 HA ALA B 112 -5.881 12.263 4.180 1.00 32.22 H new ATOM 0 HB1 ALA B 112 -7.571 10.541 4.772 1.00 23.24 H new ATOM 0 HB2 ALA B 112 -6.078 9.811 4.136 1.00 23.24 H new ATOM 0 HB3 ALA B 112 -6.404 9.789 5.885 1.00 23.24 H new ATOM 3564 N ASN B 113 -5.990 12.380 7.501 1.00 44.34 N ATOM 3565 CA ASN B 113 -6.549 13.088 8.686 1.00 71.15 C ATOM 3566 C ASN B 113 -6.298 14.602 8.598 1.00 12.21 C ATOM 3567 O ASN B 113 -7.114 15.404 9.076 1.00 13.33 O ATOM 3568 CB ASN B 113 -5.954 12.547 10.027 1.00 72.42 C ATOM 3569 CG ASN B 113 -6.360 11.111 10.370 1.00 31.13 C ATOM 3570 OD1 ASN B 113 -7.432 10.640 9.987 1.00 70.21 O ATOM 3571 ND2 ASN B 113 -5.515 10.415 11.122 1.00 24.43 N ATOM 0 H ASN B 113 -5.232 11.738 7.731 1.00 44.34 H new ATOM 0 HA ASN B 113 -7.622 12.897 8.681 1.00 71.15 H new ATOM 0 HB2 ASN B 113 -4.867 12.601 9.975 1.00 72.42 H new ATOM 0 HB3 ASN B 113 -6.267 13.203 10.839 1.00 72.42 H new ATOM 0 HD21 ASN B 113 -5.746 9.461 11.399 1.00 24.43 H new ATOM 0 HD22 ASN B 113 -4.635 10.835 11.422 1.00 24.43 H new ATOM 3578 N MET B 114 -5.160 14.976 7.981 1.00 65.12 N ATOM 3579 CA MET B 114 -4.770 16.382 7.807 1.00 3.00 C ATOM 3580 C MET B 114 -5.728 17.099 6.836 1.00 21.54 C ATOM 3581 O MET B 114 -6.076 18.265 7.048 1.00 22.20 O ATOM 3582 CB MET B 114 -3.315 16.486 7.291 1.00 73.34 C ATOM 3583 CG MET B 114 -2.265 15.773 8.158 1.00 12.13 C ATOM 3584 SD MET B 114 -0.579 16.053 7.573 1.00 74.43 S ATOM 3585 CE MET B 114 -0.738 15.677 5.829 1.00 70.45 C ATOM 0 H MET B 114 -4.490 14.312 7.592 1.00 65.12 H new ATOM 0 HA MET B 114 -4.831 16.870 8.780 1.00 3.00 H new ATOM 0 HB2 MET B 114 -3.273 16.073 6.283 1.00 73.34 H new ATOM 0 HB3 MET B 114 -3.047 17.540 7.215 1.00 73.34 H new ATOM 0 HG2 MET B 114 -2.351 16.121 9.187 1.00 12.13 H new ATOM 0 HG3 MET B 114 -2.471 14.703 8.165 1.00 12.13 H new ATOM 0 HE1 MET B 114 0.164 15.174 5.482 1.00 70.45 H new ATOM 0 HE2 MET B 114 -1.599 15.026 5.674 1.00 70.45 H new ATOM 0 HE3 MET B 114 -0.876 16.602 5.269 1.00 70.45 H new ATOM 3595 N ILE B 115 -6.157 16.385 5.773 1.00 42.13 N ATOM 3596 CA ILE B 115 -7.099 16.931 4.765 1.00 34.22 C ATOM 3597 C ILE B 115 -8.570 16.622 5.138 1.00 51.11 C ATOM 3598 O ILE B 115 -9.491 17.150 4.507 1.00 45.34 O ATOM 3599 CB ILE B 115 -6.787 16.400 3.308 1.00 41.22 C ATOM 3600 CG1 ILE B 115 -7.050 14.863 3.184 1.00 61.21 C ATOM 3601 CG2 ILE B 115 -5.331 16.749 2.901 1.00 31.00 C ATOM 3602 CD1 ILE B 115 -6.950 14.307 1.774 1.00 52.44 C ATOM 0 H ILE B 115 -5.866 15.425 5.588 1.00 42.13 H new ATOM 0 HA ILE B 115 -6.958 18.012 4.766 1.00 34.22 H new ATOM 0 HB ILE B 115 -7.468 16.901 2.620 1.00 41.22 H new ATOM 0 HG12 ILE B 115 -6.338 14.335 3.818 1.00 61.21 H new ATOM 0 HG13 ILE B 115 -8.045 14.647 3.574 1.00 61.21 H new ATOM 0 HG21 ILE B 115 -5.135 16.376 1.896 1.00 31.00 H new ATOM 0 HG22 ILE B 115 -5.198 17.831 2.919 1.00 31.00 H new ATOM 0 HG23 ILE B 115 -4.636 16.286 3.602 1.00 31.00 H new ATOM 0 HD11 ILE B 115 -7.148 13.235 1.791 1.00 52.44 H new ATOM 0 HD12 ILE B 115 -7.682 14.801 1.135 1.00 52.44 H new ATOM 0 HD13 ILE B 115 -5.948 14.485 1.383 1.00 52.44 H new ATOM 3614 N ARG B 116 -8.778 15.754 6.154 1.00 43.41 N ATOM 3615 CA ARG B 116 -10.125 15.369 6.623 1.00 52.11 C ATOM 3616 C ARG B 116 -10.794 16.529 7.376 1.00 1.04 C ATOM 3617 O ARG B 116 -10.564 16.731 8.577 1.00 43.43 O ATOM 3618 CB ARG B 116 -10.083 14.061 7.494 1.00 43.12 C ATOM 3619 CG ARG B 116 -10.300 12.743 6.691 1.00 52.10 C ATOM 3620 CD ARG B 116 -11.794 12.370 6.528 1.00 3.32 C ATOM 3621 NE ARG B 116 -12.667 13.524 6.195 1.00 40.13 N ATOM 3622 CZ ARG B 116 -13.363 13.682 5.054 1.00 2.52 C ATOM 3623 NH1 ARG B 116 -13.317 12.756 4.100 1.00 73.32 N ATOM 3624 NH2 ARG B 116 -14.104 14.765 4.897 1.00 3.51 N ATOM 0 H ARG B 116 -8.021 15.304 6.668 1.00 43.41 H new ATOM 0 HA ARG B 116 -10.732 15.147 5.745 1.00 52.11 H new ATOM 0 HB2 ARG B 116 -9.120 14.008 8.001 1.00 43.12 H new ATOM 0 HB3 ARG B 116 -10.847 14.130 8.268 1.00 43.12 H new ATOM 0 HG2 ARG B 116 -9.848 12.847 5.705 1.00 52.10 H new ATOM 0 HG3 ARG B 116 -9.781 11.928 7.195 1.00 52.10 H new ATOM 0 HD2 ARG B 116 -11.888 11.618 5.745 1.00 3.32 H new ATOM 0 HD3 ARG B 116 -12.148 11.914 7.452 1.00 3.32 H new ATOM 0 HE ARG B 116 -12.746 14.263 6.893 1.00 40.13 H new ATOM 0 HH11 ARG B 116 -12.751 11.918 4.230 1.00 73.32 H new ATOM 0 HH12 ARG B 116 -13.848 12.884 3.239 1.00 73.32 H new ATOM 0 HH21 ARG B 116 -14.143 15.468 5.635 1.00 3.51 H new ATOM 0 HH22 ARG B 116 -14.637 14.898 4.038 1.00 3.51 H new