USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1102 hydrogens (28 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 NoAdj-H: B 312 ALY H2 : B 312 ALY N : B 311 GLY C :(H bumps) USER MOD NoAdj-H: B 315 ALY H2 : B 315 ALY N : B 314 LYS C :(H bumps) USER MOD Set 1.1: A 136 LYS NZ :NH3+ 149:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 139 GLN : amide:sc= 0.21 K(o=1.4,f=-15!) USER MOD Set 2.1: A 112 CYS SG : rot -169:sc= -0.661 USER MOD Set 2.2: A 116 ASN : amide:sc= -1.55 K(o=-2.2,f=-4.4!) USER MOD Set 3.1: A 36 THR OG1 : rot -160:sc= 0.292 USER MOD Set 3.2: A 97 SER OG : rot -154:sc= 1.02 USER MOD Set 3.3: A 99 SER OG : rot -110:sc= 1.03 USER MOD Set 4.1: A 42 MET CE :methyl -147:sc= -1.08 (180deg=-2.27!) USER MOD Set 4.2: A 95 TYR OH : rot 60:sc= 1.26 USER MOD Set 4.3: A 101 CYS SG : rot 19:sc= 2.13 USER MOD Set 4.4: A 102 MET CE :methyl -152:sc= -0.117 (180deg=0) USER MOD Set 4.5: A 140 MET CE :methyl -144:sc= -0.0159 (180deg=-0.162) USER MOD Set 5.1: A 24 SER OG : rot 120:sc= -0.029 USER MOD Set 5.2: A 81 MET CE :methyl -158:sc= -0.928 (180deg=-0.152) USER MOD Set 6.1: A 44 ASN : amide:sc= 0.38 K(o=0.4,f=-0.7) USER MOD Set 6.2: A 48 LYS NZ :NH3+ 156:sc= 0.023 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.272 K(o=-0.27,f=-8.7!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 179:sc= 1.12 (180deg=1.09) USER MOD Single : A 35 LYS NZ :NH3+ -120:sc= 1.22 (180deg=0.377) USER MOD Single : A 37 ASN : amide:sc= 0.119 K(o=0.12,f=-2.6!) USER MOD Single : A 38 GLN : amide:sc= 0.983 K(o=0.98,f=-0.029) USER MOD Single : A 40 GLN : amide:sc= -0.252 K(o=-0.25,f=-1.9!) USER MOD Single : A 41 TYR OH : rot -79:sc= 1.2 USER MOD Single : A 43 GLN : amide:sc=-0.00166 X(o=-0.0017,f=0) USER MOD Single : A 49 THR OG1 : rot 100:sc= 1.18 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-5!) USER MOD Single : A 54 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.53) USER MOD Single : A 60 TYR OH : rot -39:sc= 1.24 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -109:sc= 1.25 (180deg=0.312) USER MOD Single : A 69 ASN : amide:sc= -0.087 X(o=-0.087,f=0) USER MOD Single : A 73 TYR OH : rot 19:sc= -1.55! USER MOD Single : A 74 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.7!) USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.23) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl -138:sc= -0.482 (180deg=-2.38!) USER MOD Single : A 85 THR OG1 : rot 120:sc= 1.18 USER MOD Single : A 87 LYS NZ :NH3+ -154:sc= 1.23 (180deg=0.161!) USER MOD Single : A 88 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.15) USER MOD Single : A 92 ASN : amide:sc= -1.65! X(o=-1.7!,f=-1.2) USER MOD Single : A 93 ASN : amide:sc= -0.0486 K(o=-0.049,f=-0.64) USER MOD Single : A 94 TYR OH : rot -19:sc= 0.381 USER MOD Single : A 103 GLN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 106 ASN : amide:sc= -0.0217 K(o=-0.022,f=-0.86) USER MOD Single : A 107 THR OG1 : rot 87:sc= 1.31 USER MOD Single : A 108 MET CE :methyl -152:sc= -0.171 (180deg=-0.301) USER MOD Single : A 110 THR OG1 : rot 34:sc= 0.583 USER MOD Single : A 111 ASN : amide:sc= 0.0703 K(o=0.07,f=-1.6) USER MOD Single : A 113 TYR OH : rot -167:sc= 0.861 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0037 USER MOD Single : A 125 MET CE :methyl -107:sc= -0.569 (180deg=-3.26!) USER MOD Single : A 127 GLN : amide:sc= -2.26! C(o=-2.3!,f=-5.5!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.22 K(o=-0.22,f=-2.5!) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 314 LYS NZ :NH3+ 153:sc= 1.25 (180deg=1.02) USER MOD Single : B 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 21 4.118 -17.461 3.626 1.00 5.93 N ATOM 2 CA PRO A 21 3.077 -16.425 3.458 1.00 5.16 C ATOM 3 C PRO A 21 1.839 -17.033 2.810 1.00 4.32 C ATOM 4 O PRO A 21 1.746 -18.251 2.686 1.00 4.31 O ATOM 5 CB PRO A 21 3.637 -15.307 2.588 1.00 4.92 C ATOM 6 CG PRO A 21 4.988 -15.795 2.193 1.00 5.41 C ATOM 7 CD PRO A 21 5.388 -16.829 3.220 1.00 6.18 C ATOM 0 HA PRO A 21 2.791 -16.022 4.430 1.00 5.16 H new ATOM 0 HB2 PRO A 21 3.008 -15.127 1.716 1.00 4.92 H new ATOM 0 HB3 PRO A 21 3.697 -14.367 3.137 1.00 4.92 H new ATOM 0 HG2 PRO A 21 4.967 -16.229 1.193 1.00 5.41 H new ATOM 0 HG3 PRO A 21 5.705 -14.974 2.169 1.00 5.41 H new ATOM 0 HD2 PRO A 21 6.078 -17.560 2.798 1.00 6.18 H new ATOM 0 HD3 PRO A 21 5.892 -16.369 4.070 1.00 6.18 H new ATOM 16 N LEU A 22 0.897 -16.190 2.409 1.00 4.14 N ATOM 17 CA LEU A 22 -0.291 -16.650 1.704 1.00 3.85 C ATOM 18 C LEU A 22 -0.768 -15.578 0.730 1.00 3.48 C ATOM 19 O LEU A 22 -0.792 -14.390 1.064 1.00 4.01 O ATOM 20 CB LEU A 22 -1.403 -17.028 2.698 1.00 4.67 C ATOM 21 CG LEU A 22 -2.434 -15.934 3.007 1.00 5.12 C ATOM 22 CD1 LEU A 22 -3.852 -16.452 2.808 1.00 5.71 C ATOM 23 CD2 LEU A 22 -2.251 -15.423 4.429 1.00 5.61 C ATOM 0 H LEU A 22 0.933 -15.182 2.560 1.00 4.14 H new ATOM 0 HA LEU A 22 -0.037 -17.545 1.135 1.00 3.85 H new ATOM 0 HB2 LEU A 22 -1.932 -17.897 2.307 1.00 4.67 H new ATOM 0 HB3 LEU A 22 -0.936 -17.334 3.634 1.00 4.67 H new ATOM 0 HG LEU A 22 -2.274 -15.108 2.314 1.00 5.12 H new ATOM 0 HD11 LEU A 22 -4.564 -15.658 3.033 1.00 5.71 H new ATOM 0 HD12 LEU A 22 -3.981 -16.772 1.774 1.00 5.71 H new ATOM 0 HD13 LEU A 22 -4.028 -17.297 3.474 1.00 5.71 H new ATOM 0 HD21 LEU A 22 -2.989 -14.647 4.635 1.00 5.61 H new ATOM 0 HD22 LEU A 22 -2.384 -16.246 5.131 1.00 5.61 H new ATOM 0 HD23 LEU A 22 -1.249 -15.009 4.541 1.00 5.61 H new ATOM 35 N GLY A 23 -1.112 -15.996 -0.481 1.00 3.17 N ATOM 36 CA GLY A 23 -1.568 -15.061 -1.492 1.00 3.45 C ATOM 37 C GLY A 23 -0.421 -14.308 -2.135 1.00 2.96 C ATOM 38 O GLY A 23 -0.073 -14.556 -3.292 1.00 3.32 O ATOM 0 H GLY A 23 -1.083 -16.970 -0.782 1.00 3.17 H new ATOM 0 HA2 GLY A 23 -2.122 -15.601 -2.260 1.00 3.45 H new ATOM 0 HA3 GLY A 23 -2.260 -14.350 -1.041 1.00 3.45 H new ATOM 42 N SER A 24 0.169 -13.394 -1.380 1.00 2.37 N ATOM 43 CA SER A 24 1.298 -12.621 -1.856 1.00 1.94 C ATOM 44 C SER A 24 2.494 -12.809 -0.930 1.00 1.65 C ATOM 45 O SER A 24 2.337 -12.875 0.292 1.00 1.75 O ATOM 46 CB SER A 24 0.921 -11.146 -1.955 1.00 2.01 C ATOM 47 OG SER A 24 1.052 -10.488 -0.706 1.00 2.44 O ATOM 0 H SER A 24 -0.121 -13.171 -0.428 1.00 2.37 H new ATOM 0 HA SER A 24 1.574 -12.974 -2.850 1.00 1.94 H new ATOM 0 HB2 SER A 24 1.556 -10.656 -2.693 1.00 2.01 H new ATOM 0 HB3 SER A 24 -0.106 -11.055 -2.308 1.00 2.01 H new ATOM 0 HG SER A 24 1.703 -9.760 -0.787 1.00 2.44 H new ATOM 53 N GLU A 25 3.677 -12.913 -1.519 1.00 1.39 N ATOM 54 CA GLU A 25 4.906 -13.069 -0.767 1.00 1.23 C ATOM 55 C GLU A 25 5.166 -11.881 0.151 1.00 1.05 C ATOM 56 O GLU A 25 5.035 -10.723 -0.251 1.00 1.12 O ATOM 57 CB GLU A 25 6.078 -13.219 -1.723 1.00 1.48 C ATOM 58 CG GLU A 25 6.485 -14.651 -1.962 1.00 1.13 C ATOM 59 CD GLU A 25 7.351 -14.812 -3.193 1.00 1.28 C ATOM 60 OE1 GLU A 25 8.320 -14.041 -3.344 1.00 1.43 O ATOM 61 OE2 GLU A 25 7.068 -15.708 -4.019 1.00 1.64 O ATOM 0 H GLU A 25 3.808 -12.891 -2.530 1.00 1.39 H new ATOM 0 HA GLU A 25 4.800 -13.961 -0.150 1.00 1.23 H new ATOM 0 HB2 GLU A 25 5.818 -12.760 -2.677 1.00 1.48 H new ATOM 0 HB3 GLU A 25 6.932 -12.669 -1.327 1.00 1.48 H new ATOM 0 HG2 GLU A 25 7.026 -15.021 -1.091 1.00 1.13 H new ATOM 0 HG3 GLU A 25 5.591 -15.266 -2.068 1.00 1.13 H new ATOM 68 N VAL A 26 5.544 -12.186 1.379 1.00 0.93 N ATOM 69 CA VAL A 26 5.939 -11.169 2.341 1.00 0.84 C ATOM 70 C VAL A 26 7.416 -11.333 2.681 1.00 0.83 C ATOM 71 O VAL A 26 8.044 -10.458 3.279 1.00 0.85 O ATOM 72 CB VAL A 26 5.083 -11.244 3.626 1.00 0.83 C ATOM 73 CG1 VAL A 26 5.470 -12.443 4.479 1.00 0.93 C ATOM 74 CG2 VAL A 26 5.196 -9.953 4.420 1.00 0.83 C ATOM 0 H VAL A 26 5.586 -13.140 1.738 1.00 0.93 H new ATOM 0 HA VAL A 26 5.775 -10.190 1.891 1.00 0.84 H new ATOM 0 HB VAL A 26 4.042 -11.374 3.329 1.00 0.83 H new ATOM 0 HG11 VAL A 26 4.850 -12.467 5.375 1.00 0.93 H new ATOM 0 HG12 VAL A 26 5.319 -13.359 3.908 1.00 0.93 H new ATOM 0 HG13 VAL A 26 6.519 -12.362 4.766 1.00 0.93 H new ATOM 0 HG21 VAL A 26 4.586 -10.025 5.321 1.00 0.83 H new ATOM 0 HG22 VAL A 26 6.237 -9.787 4.698 1.00 0.83 H new ATOM 0 HG23 VAL A 26 4.846 -9.119 3.811 1.00 0.83 H new ATOM 84 N SER A 27 7.957 -12.469 2.277 1.00 0.91 N ATOM 85 CA SER A 27 9.343 -12.790 2.494 1.00 1.00 C ATOM 86 C SER A 27 9.738 -13.940 1.584 1.00 1.07 C ATOM 87 O SER A 27 8.943 -14.855 1.354 1.00 1.19 O ATOM 88 CB SER A 27 9.546 -13.175 3.952 1.00 1.15 C ATOM 89 OG SER A 27 8.707 -14.262 4.311 1.00 1.61 O ATOM 0 H SER A 27 7.436 -13.196 1.786 1.00 0.91 H new ATOM 0 HA SER A 27 9.968 -11.927 2.266 1.00 1.00 H new ATOM 0 HB2 SER A 27 10.589 -13.445 4.119 1.00 1.15 H new ATOM 0 HB3 SER A 27 9.332 -12.319 4.591 1.00 1.15 H new ATOM 0 HG SER A 27 8.856 -14.493 5.252 1.00 1.61 H new ATOM 95 N ASN A 28 10.943 -13.879 1.058 1.00 1.07 N ATOM 96 CA ASN A 28 11.442 -14.920 0.174 1.00 1.18 C ATOM 97 C ASN A 28 12.951 -15.067 0.337 1.00 1.23 C ATOM 98 O ASN A 28 13.692 -14.095 0.216 1.00 1.12 O ATOM 99 CB ASN A 28 11.085 -14.587 -1.279 1.00 1.19 C ATOM 100 CG ASN A 28 11.326 -15.736 -2.249 1.00 1.39 C ATOM 101 OD1 ASN A 28 12.309 -16.470 -2.146 1.00 1.60 O ATOM 102 ND2 ASN A 28 10.432 -15.888 -3.207 1.00 1.48 N ATOM 0 H ASN A 28 11.600 -13.117 1.226 1.00 1.07 H new ATOM 0 HA ASN A 28 10.974 -15.868 0.438 1.00 1.18 H new ATOM 0 HB2 ASN A 28 10.036 -14.296 -1.328 1.00 1.19 H new ATOM 0 HB3 ASN A 28 11.670 -13.725 -1.599 1.00 1.19 H new ATOM 0 HD21 ASN A 28 10.543 -16.633 -3.894 1.00 1.48 H new ATOM 0 HD22 ASN A 28 9.630 -15.260 -3.260 1.00 1.48 H new ATOM 109 N PRO A 29 13.417 -16.286 0.640 1.00 1.46 N ATOM 110 CA PRO A 29 14.849 -16.578 0.817 1.00 1.60 C ATOM 111 C PRO A 29 15.638 -16.472 -0.488 1.00 1.54 C ATOM 112 O PRO A 29 16.763 -15.971 -0.510 1.00 1.54 O ATOM 113 CB PRO A 29 14.840 -18.029 1.298 1.00 1.87 C ATOM 114 CG PRO A 29 13.593 -18.589 0.719 1.00 1.86 C ATOM 115 CD PRO A 29 12.588 -17.491 0.840 1.00 1.65 C ATOM 0 HA PRO A 29 15.327 -15.874 1.498 1.00 1.60 H new ATOM 0 HB2 PRO A 29 15.720 -18.570 0.951 1.00 1.87 H new ATOM 0 HB3 PRO A 29 14.837 -18.089 2.386 1.00 1.87 H new ATOM 0 HG2 PRO A 29 13.736 -18.881 -0.321 1.00 1.86 H new ATOM 0 HG3 PRO A 29 13.272 -19.480 1.259 1.00 1.86 H new ATOM 0 HD2 PRO A 29 11.802 -17.574 0.089 1.00 1.65 H new ATOM 0 HD3 PRO A 29 12.099 -17.492 1.814 1.00 1.65 H new ATOM 123 N SER A 30 15.041 -16.952 -1.570 1.00 1.57 N ATOM 124 CA SER A 30 15.686 -16.959 -2.865 1.00 1.63 C ATOM 125 C SER A 30 15.647 -15.568 -3.484 1.00 1.47 C ATOM 126 O SER A 30 16.464 -15.228 -4.338 1.00 1.58 O ATOM 127 CB SER A 30 14.978 -17.973 -3.757 1.00 1.81 C ATOM 128 OG SER A 30 14.673 -19.150 -3.024 1.00 2.18 O ATOM 0 H SER A 30 14.100 -17.345 -1.570 1.00 1.57 H new ATOM 0 HA SER A 30 16.733 -17.242 -2.757 1.00 1.63 H new ATOM 0 HB2 SER A 30 14.062 -17.538 -4.156 1.00 1.81 H new ATOM 0 HB3 SER A 30 15.611 -18.221 -4.609 1.00 1.81 H new ATOM 0 HG SER A 30 14.217 -19.791 -3.609 1.00 2.18 H new ATOM 134 N LYS A 31 14.696 -14.769 -3.030 1.00 1.28 N ATOM 135 CA LYS A 31 14.574 -13.393 -3.482 1.00 1.14 C ATOM 136 C LYS A 31 15.514 -12.493 -2.690 1.00 1.01 C ATOM 137 O LYS A 31 15.569 -12.568 -1.463 1.00 1.03 O ATOM 138 CB LYS A 31 13.135 -12.903 -3.328 1.00 1.14 C ATOM 139 CG LYS A 31 12.742 -11.815 -4.313 1.00 1.18 C ATOM 140 CD LYS A 31 11.400 -11.198 -3.951 1.00 1.26 C ATOM 141 CE LYS A 31 11.429 -9.683 -4.069 1.00 1.93 C ATOM 142 NZ LYS A 31 11.225 -9.229 -5.469 1.00 2.75 N ATOM 0 H LYS A 31 13.994 -15.051 -2.346 1.00 1.28 H new ATOM 0 HA LYS A 31 14.847 -13.353 -4.537 1.00 1.14 H new ATOM 0 HB2 LYS A 31 12.459 -13.750 -3.449 1.00 1.14 H new ATOM 0 HB3 LYS A 31 12.997 -12.528 -2.314 1.00 1.14 H new ATOM 0 HG2 LYS A 31 13.509 -11.040 -4.327 1.00 1.18 H new ATOM 0 HG3 LYS A 31 12.693 -12.233 -5.319 1.00 1.18 H new ATOM 0 HD2 LYS A 31 10.626 -11.599 -4.605 1.00 1.26 H new ATOM 0 HD3 LYS A 31 11.133 -11.479 -2.932 1.00 1.26 H new ATOM 0 HE2 LYS A 31 10.654 -9.255 -3.433 1.00 1.93 H new ATOM 0 HE3 LYS A 31 12.385 -9.309 -3.702 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 11.235 -8.190 -5.502 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 11.988 -9.602 -6.069 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 10.309 -9.577 -5.817 1.00 2.75 H new ATOM 156 N PRO A 32 16.283 -11.652 -3.386 1.00 0.99 N ATOM 157 CA PRO A 32 17.194 -10.701 -2.749 1.00 0.97 C ATOM 158 C PRO A 32 16.459 -9.595 -1.996 1.00 0.85 C ATOM 159 O PRO A 32 15.433 -9.084 -2.452 1.00 0.89 O ATOM 160 CB PRO A 32 17.976 -10.112 -3.924 1.00 1.14 C ATOM 161 CG PRO A 32 17.091 -10.301 -5.107 1.00 1.38 C ATOM 162 CD PRO A 32 16.340 -11.577 -4.856 1.00 1.13 C ATOM 0 HA PRO A 32 17.820 -11.186 -1.999 1.00 0.97 H new ATOM 0 HB2 PRO A 32 18.198 -9.057 -3.762 1.00 1.14 H new ATOM 0 HB3 PRO A 32 18.930 -10.622 -4.059 1.00 1.14 H new ATOM 0 HG2 PRO A 32 16.407 -9.460 -5.222 1.00 1.38 H new ATOM 0 HG3 PRO A 32 17.674 -10.365 -6.026 1.00 1.38 H new ATOM 0 HD2 PRO A 32 15.343 -11.551 -5.297 1.00 1.13 H new ATOM 0 HD3 PRO A 32 16.855 -12.438 -5.283 1.00 1.13 H new ATOM 170 N GLY A 33 16.998 -9.241 -0.844 1.00 0.83 N ATOM 171 CA GLY A 33 16.448 -8.165 -0.049 1.00 0.79 C ATOM 172 C GLY A 33 17.553 -7.370 0.600 1.00 0.76 C ATOM 173 O GLY A 33 18.371 -7.927 1.333 1.00 0.97 O ATOM 0 H GLY A 33 17.821 -9.687 -0.438 1.00 0.83 H new ATOM 0 HA2 GLY A 33 15.844 -7.512 -0.679 1.00 0.79 H new ATOM 0 HA3 GLY A 33 15.787 -8.572 0.716 1.00 0.79 H new ATOM 177 N ARG A 34 17.607 -6.078 0.323 1.00 0.81 N ATOM 178 CA ARG A 34 18.702 -5.250 0.802 1.00 0.79 C ATOM 179 C ARG A 34 18.176 -4.004 1.494 1.00 0.79 C ATOM 180 O ARG A 34 16.973 -3.742 1.499 1.00 0.97 O ATOM 181 CB ARG A 34 19.621 -4.854 -0.357 1.00 0.82 C ATOM 182 CG ARG A 34 20.403 -6.021 -0.942 1.00 1.24 C ATOM 183 CD ARG A 34 21.854 -6.013 -0.487 1.00 1.04 C ATOM 184 NE ARG A 34 22.766 -5.607 -1.554 1.00 0.98 N ATOM 185 CZ ARG A 34 23.433 -6.457 -2.335 1.00 1.43 C ATOM 186 NH1 ARG A 34 23.285 -7.767 -2.188 1.00 1.93 N ATOM 187 NH2 ARG A 34 24.251 -5.994 -3.266 1.00 1.56 N ATOM 0 H ARG A 34 16.908 -5.581 -0.229 1.00 0.81 H new ATOM 0 HA ARG A 34 19.273 -5.833 1.524 1.00 0.79 H new ATOM 0 HB2 ARG A 34 19.022 -4.398 -1.145 1.00 0.82 H new ATOM 0 HB3 ARG A 34 20.322 -4.095 -0.010 1.00 0.82 H new ATOM 0 HG2 ARG A 34 19.934 -6.959 -0.644 1.00 1.24 H new ATOM 0 HG3 ARG A 34 20.363 -5.976 -2.030 1.00 1.24 H new ATOM 0 HD2 ARG A 34 21.964 -5.335 0.359 1.00 1.04 H new ATOM 0 HD3 ARG A 34 22.128 -7.008 -0.136 1.00 1.04 H new ATOM 0 HE ARG A 34 22.901 -4.608 -1.712 1.00 0.98 H new ATOM 0 HH11 ARG A 34 22.656 -8.132 -1.472 1.00 1.93 H new ATOM 0 HH12 ARG A 34 23.800 -8.409 -2.791 1.00 1.93 H new ATOM 0 HH21 ARG A 34 24.371 -4.988 -3.385 1.00 1.56 H new ATOM 0 HH22 ARG A 34 24.762 -6.643 -3.864 1.00 1.56 H new ATOM 201 N LYS A 35 19.082 -3.254 2.092 1.00 0.80 N ATOM 202 CA LYS A 35 18.743 -2.011 2.746 1.00 0.82 C ATOM 203 C LYS A 35 19.300 -0.824 1.972 1.00 0.77 C ATOM 204 O LYS A 35 20.488 -0.527 2.046 1.00 0.93 O ATOM 205 CB LYS A 35 19.287 -2.009 4.171 1.00 0.87 C ATOM 206 CG LYS A 35 20.714 -2.521 4.293 1.00 1.42 C ATOM 207 CD LYS A 35 21.135 -2.640 5.747 1.00 1.71 C ATOM 208 CE LYS A 35 21.599 -1.305 6.298 1.00 1.85 C ATOM 209 NZ LYS A 35 23.081 -1.212 6.352 1.00 2.64 N ATOM 0 H LYS A 35 20.073 -3.492 2.136 1.00 0.80 H new ATOM 0 HA LYS A 35 17.657 -1.921 2.776 1.00 0.82 H new ATOM 0 HB2 LYS A 35 19.242 -0.993 4.564 1.00 0.87 H new ATOM 0 HB3 LYS A 35 18.638 -2.622 4.797 1.00 0.87 H new ATOM 0 HG2 LYS A 35 20.796 -3.493 3.808 1.00 1.42 H new ATOM 0 HG3 LYS A 35 21.391 -1.845 3.770 1.00 1.42 H new ATOM 0 HD2 LYS A 35 20.299 -3.010 6.341 1.00 1.71 H new ATOM 0 HD3 LYS A 35 21.938 -3.372 5.837 1.00 1.71 H new ATOM 0 HE2 LYS A 35 21.207 -0.500 5.676 1.00 1.85 H new ATOM 0 HE3 LYS A 35 21.190 -1.163 7.298 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 23.384 -1.059 7.335 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 23.498 -2.096 5.995 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 23.401 -0.416 5.764 1.00 2.64 H new ATOM 223 N THR A 36 18.449 -0.166 1.207 1.00 0.59 N ATOM 224 CA THR A 36 18.859 1.035 0.502 1.00 0.54 C ATOM 225 C THR A 36 18.217 2.269 1.127 1.00 0.46 C ATOM 226 O THR A 36 17.255 2.162 1.893 1.00 0.46 O ATOM 227 CB THR A 36 18.513 0.977 -1.000 1.00 0.56 C ATOM 228 OG1 THR A 36 17.134 1.317 -1.212 1.00 0.54 O ATOM 229 CG2 THR A 36 18.787 -0.406 -1.576 1.00 0.68 C ATOM 0 H THR A 36 17.478 -0.439 1.058 1.00 0.59 H new ATOM 0 HA THR A 36 19.943 1.100 0.594 1.00 0.54 H new ATOM 0 HB THR A 36 19.148 1.701 -1.511 1.00 0.56 H new ATOM 0 HG1 THR A 36 16.843 0.975 -2.083 1.00 0.54 H new ATOM 0 HG21 THR A 36 18.533 -0.415 -2.636 1.00 0.68 H new ATOM 0 HG22 THR A 36 19.843 -0.649 -1.453 1.00 0.68 H new ATOM 0 HG23 THR A 36 18.181 -1.145 -1.051 1.00 0.68 H new ATOM 237 N ASN A 37 18.754 3.435 0.792 1.00 0.42 N ATOM 238 CA ASN A 37 18.251 4.695 1.316 1.00 0.40 C ATOM 239 C ASN A 37 16.838 4.960 0.813 1.00 0.33 C ATOM 240 O ASN A 37 16.010 5.484 1.543 1.00 0.33 O ATOM 241 CB ASN A 37 19.202 5.848 0.945 1.00 0.48 C ATOM 242 CG ASN A 37 18.658 6.770 -0.138 1.00 0.72 C ATOM 243 OD1 ASN A 37 18.705 6.452 -1.329 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.152 7.927 0.265 1.00 0.78 N ATOM 0 H ASN A 37 19.544 3.533 0.154 1.00 0.42 H new ATOM 0 HA ASN A 37 18.209 4.629 2.403 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.411 6.436 1.839 1.00 0.48 H new ATOM 0 HB3 ASN A 37 20.151 5.430 0.610 1.00 0.48 H new ATOM 0 HD21 ASN A 37 17.785 8.589 -0.419 1.00 0.78 H new ATOM 0 HD22 ASN A 37 18.130 8.155 1.259 1.00 0.78 H new ATOM 251 N GLN A 38 16.561 4.569 -0.430 1.00 0.33 N ATOM 252 CA GLN A 38 15.234 4.734 -1.004 1.00 0.31 C ATOM 253 C GLN A 38 14.231 3.832 -0.297 1.00 0.26 C ATOM 254 O GLN A 38 13.078 4.213 -0.090 1.00 0.25 O ATOM 255 CB GLN A 38 15.261 4.417 -2.498 1.00 0.36 C ATOM 256 CG GLN A 38 14.045 4.933 -3.250 1.00 0.46 C ATOM 257 CD GLN A 38 14.158 4.722 -4.743 1.00 0.59 C ATOM 258 OE1 GLN A 38 13.673 3.728 -5.281 1.00 1.04 O ATOM 259 NE2 GLN A 38 14.796 5.657 -5.424 1.00 0.55 N ATOM 0 H GLN A 38 17.240 4.136 -1.056 1.00 0.33 H new ATOM 0 HA GLN A 38 14.926 5.771 -0.868 1.00 0.31 H new ATOM 0 HB2 GLN A 38 16.160 4.850 -2.937 1.00 0.36 H new ATOM 0 HB3 GLN A 38 15.329 3.337 -2.631 1.00 0.36 H new ATOM 0 HG2 GLN A 38 13.152 4.428 -2.881 1.00 0.46 H new ATOM 0 HG3 GLN A 38 13.918 5.996 -3.045 1.00 0.46 H new ATOM 0 HE21 GLN A 38 15.184 6.466 -4.939 1.00 0.55 H new ATOM 0 HE22 GLN A 38 14.901 5.570 -6.435 1.00 0.55 H new ATOM 268 N LEU A 39 14.684 2.643 0.082 1.00 0.28 N ATOM 269 CA LEU A 39 13.837 1.690 0.788 1.00 0.31 C ATOM 270 C LEU A 39 13.404 2.252 2.136 1.00 0.29 C ATOM 271 O LEU A 39 12.211 2.308 2.447 1.00 0.30 O ATOM 272 CB LEU A 39 14.572 0.365 0.993 1.00 0.38 C ATOM 273 CG LEU A 39 13.793 -0.685 1.788 1.00 0.45 C ATOM 274 CD1 LEU A 39 13.382 -1.835 0.887 1.00 0.63 C ATOM 275 CD2 LEU A 39 14.619 -1.193 2.958 1.00 0.80 C ATOM 0 H LEU A 39 15.635 2.316 -0.088 1.00 0.28 H new ATOM 0 HA LEU A 39 12.951 1.512 0.179 1.00 0.31 H new ATOM 0 HB2 LEU A 39 14.822 -0.051 0.017 1.00 0.38 H new ATOM 0 HB3 LEU A 39 15.513 0.563 1.505 1.00 0.38 H new ATOM 0 HG LEU A 39 12.892 -0.217 2.184 1.00 0.45 H new ATOM 0 HD11 LEU A 39 12.829 -2.573 1.468 1.00 0.63 H new ATOM 0 HD12 LEU A 39 12.750 -1.459 0.082 1.00 0.63 H new ATOM 0 HD13 LEU A 39 14.271 -2.300 0.462 1.00 0.63 H new ATOM 0 HD21 LEU A 39 14.047 -1.939 3.510 1.00 0.80 H new ATOM 0 HD22 LEU A 39 15.539 -1.644 2.585 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.864 -0.361 3.619 1.00 0.80 H new ATOM 287 N GLN A 40 14.379 2.671 2.931 1.00 0.29 N ATOM 288 CA GLN A 40 14.103 3.222 4.251 1.00 0.30 C ATOM 289 C GLN A 40 13.397 4.567 4.134 1.00 0.26 C ATOM 290 O GLN A 40 12.599 4.939 5.000 1.00 0.28 O ATOM 291 CB GLN A 40 15.399 3.367 5.050 1.00 0.36 C ATOM 292 CG GLN A 40 15.780 2.104 5.805 1.00 0.42 C ATOM 293 CD GLN A 40 15.429 2.174 7.278 1.00 0.72 C ATOM 294 OE1 GLN A 40 15.342 3.254 7.862 1.00 1.75 O ATOM 295 NE2 GLN A 40 15.238 1.018 7.892 1.00 0.83 N ATOM 0 H GLN A 40 15.368 2.640 2.685 1.00 0.29 H new ATOM 0 HA GLN A 40 13.444 2.533 4.780 1.00 0.30 H new ATOM 0 HB2 GLN A 40 16.209 3.635 4.371 1.00 0.36 H new ATOM 0 HB3 GLN A 40 15.292 4.188 5.759 1.00 0.36 H new ATOM 0 HG2 GLN A 40 15.273 1.250 5.355 1.00 0.42 H new ATOM 0 HG3 GLN A 40 16.851 1.931 5.699 1.00 0.42 H new ATOM 0 HE21 GLN A 40 15.319 0.145 7.372 1.00 0.83 H new ATOM 0 HE22 GLN A 40 15.009 1.000 8.886 1.00 0.83 H new ATOM 304 N TYR A 41 13.693 5.285 3.055 1.00 0.25 N ATOM 305 CA TYR A 41 13.046 6.551 2.764 1.00 0.24 C ATOM 306 C TYR A 41 11.543 6.377 2.666 1.00 0.22 C ATOM 307 O TYR A 41 10.804 6.913 3.472 1.00 0.23 O ATOM 308 CB TYR A 41 13.579 7.126 1.450 1.00 0.24 C ATOM 309 CG TYR A 41 13.134 8.539 1.175 1.00 0.31 C ATOM 310 CD1 TYR A 41 11.924 8.798 0.547 1.00 0.32 C ATOM 311 CD2 TYR A 41 13.926 9.615 1.549 1.00 0.42 C ATOM 312 CE1 TYR A 41 11.514 10.089 0.297 1.00 0.44 C ATOM 313 CE2 TYR A 41 13.524 10.911 1.303 1.00 0.52 C ATOM 314 CZ TYR A 41 12.317 11.146 0.677 1.00 0.53 C ATOM 315 OH TYR A 41 11.916 12.439 0.429 1.00 0.64 O ATOM 0 H TYR A 41 14.387 5.003 2.362 1.00 0.25 H new ATOM 0 HA TYR A 41 13.268 7.240 3.579 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.668 7.096 1.467 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.255 6.487 0.628 1.00 0.24 H new ATOM 0 HD1 TYR A 41 11.293 7.974 0.249 1.00 0.32 H new ATOM 0 HD2 TYR A 41 14.871 9.435 2.040 1.00 0.42 H new ATOM 0 HE1 TYR A 41 10.570 10.273 -0.194 1.00 0.44 H new ATOM 0 HE2 TYR A 41 14.151 11.739 1.599 1.00 0.52 H new ATOM 0 HH TYR A 41 12.092 12.662 -0.509 1.00 0.64 H new ATOM 325 N MET A 42 11.095 5.597 1.696 1.00 0.20 N ATOM 326 CA MET A 42 9.676 5.477 1.412 1.00 0.20 C ATOM 327 C MET A 42 8.923 4.943 2.622 1.00 0.21 C ATOM 328 O MET A 42 7.772 5.308 2.858 1.00 0.22 O ATOM 329 CB MET A 42 9.461 4.550 0.215 1.00 0.23 C ATOM 330 CG MET A 42 8.526 5.107 -0.842 1.00 0.80 C ATOM 331 SD MET A 42 6.863 4.426 -0.731 1.00 1.07 S ATOM 332 CE MET A 42 7.198 2.686 -0.986 1.00 1.13 C ATOM 0 H MET A 42 11.696 5.037 1.091 1.00 0.20 H new ATOM 0 HA MET A 42 9.289 6.468 1.176 1.00 0.20 H new ATOM 0 HB2 MET A 42 10.426 4.339 -0.245 1.00 0.23 H new ATOM 0 HB3 MET A 42 9.063 3.600 0.572 1.00 0.23 H new ATOM 0 HG2 MET A 42 8.477 6.191 -0.742 1.00 0.80 H new ATOM 0 HG3 MET A 42 8.935 4.896 -1.830 1.00 0.80 H new ATOM 0 HE1 MET A 42 6.361 2.228 -1.512 1.00 1.13 H new ATOM 0 HE2 MET A 42 8.105 2.573 -1.580 1.00 1.13 H new ATOM 0 HE3 MET A 42 7.332 2.196 -0.022 1.00 1.13 H new ATOM 342 N GLN A 43 9.596 4.104 3.399 1.00 0.24 N ATOM 343 CA GLN A 43 8.996 3.488 4.571 1.00 0.30 C ATOM 344 C GLN A 43 8.707 4.532 5.651 1.00 0.30 C ATOM 345 O GLN A 43 7.616 4.575 6.218 1.00 0.33 O ATOM 346 CB GLN A 43 9.917 2.401 5.121 1.00 0.42 C ATOM 347 CG GLN A 43 9.274 1.540 6.193 1.00 0.84 C ATOM 348 CD GLN A 43 10.286 0.710 6.955 1.00 0.76 C ATOM 349 OE1 GLN A 43 10.326 0.725 8.183 1.00 1.30 O ATOM 350 NE2 GLN A 43 11.107 -0.032 6.231 1.00 0.54 N ATOM 0 H GLN A 43 10.566 3.834 3.235 1.00 0.24 H new ATOM 0 HA GLN A 43 8.050 3.036 4.274 1.00 0.30 H new ATOM 0 HB2 GLN A 43 10.240 1.762 4.300 1.00 0.42 H new ATOM 0 HB3 GLN A 43 10.812 2.869 5.532 1.00 0.42 H new ATOM 0 HG2 GLN A 43 8.733 2.179 6.891 1.00 0.84 H new ATOM 0 HG3 GLN A 43 8.540 0.879 5.732 1.00 0.84 H new ATOM 0 HE21 GLN A 43 11.043 -0.018 5.213 1.00 0.54 H new ATOM 0 HE22 GLN A 43 11.804 -0.618 6.690 1.00 0.54 H new ATOM 359 N ASN A 44 9.691 5.364 5.938 1.00 0.30 N ATOM 360 CA ASN A 44 9.538 6.393 6.962 1.00 0.33 C ATOM 361 C ASN A 44 8.907 7.665 6.415 1.00 0.31 C ATOM 362 O ASN A 44 8.199 8.375 7.128 1.00 0.34 O ATOM 363 CB ASN A 44 10.890 6.731 7.586 1.00 0.37 C ATOM 364 CG ASN A 44 11.407 5.637 8.495 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.944 5.485 9.627 1.00 0.50 O ATOM 366 ND2 ASN A 44 12.370 4.869 8.010 1.00 0.47 N ATOM 0 H ASN A 44 10.603 5.352 5.481 1.00 0.30 H new ATOM 0 HA ASN A 44 8.870 5.984 7.720 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.616 6.911 6.793 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.801 7.657 8.154 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.758 4.117 8.579 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.724 5.030 7.067 1.00 0.47 H new ATOM 373 N VAL A 45 9.181 7.961 5.165 1.00 0.27 N ATOM 374 CA VAL A 45 8.735 9.201 4.560 1.00 0.27 C ATOM 375 C VAL A 45 7.349 9.076 3.948 1.00 0.24 C ATOM 376 O VAL A 45 6.438 9.813 4.307 1.00 0.28 O ATOM 377 CB VAL A 45 9.713 9.656 3.467 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.172 10.867 2.733 1.00 0.29 C ATOM 379 CG2 VAL A 45 11.083 9.937 4.054 1.00 0.30 C ATOM 0 H VAL A 45 9.715 7.356 4.541 1.00 0.27 H new ATOM 0 HA VAL A 45 8.697 9.938 5.362 1.00 0.27 H new ATOM 0 HB VAL A 45 9.819 8.847 2.744 1.00 0.26 H new ATOM 0 HG11 VAL A 45 9.881 11.172 1.963 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.218 10.615 2.269 1.00 0.29 H new ATOM 0 HG13 VAL A 45 9.027 11.685 3.438 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.759 10.258 3.262 1.00 0.30 H new ATOM 0 HG22 VAL A 45 11.003 10.724 4.804 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.472 9.031 4.519 1.00 0.30 H new ATOM 389 N VAL A 46 7.187 8.144 3.027 1.00 0.19 N ATOM 390 CA VAL A 46 5.971 8.086 2.238 1.00 0.19 C ATOM 391 C VAL A 46 4.849 7.363 2.976 1.00 0.19 C ATOM 392 O VAL A 46 3.849 7.981 3.345 1.00 0.19 O ATOM 393 CB VAL A 46 6.207 7.426 0.866 1.00 0.20 C ATOM 394 CG1 VAL A 46 4.911 7.360 0.068 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.269 8.188 0.090 1.00 0.22 C ATOM 0 H VAL A 46 7.875 7.423 2.808 1.00 0.19 H new ATOM 0 HA VAL A 46 5.665 9.119 2.074 1.00 0.19 H new ATOM 0 HB VAL A 46 6.558 6.407 1.031 1.00 0.20 H new ATOM 0 HG11 VAL A 46 5.101 6.890 -0.897 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.175 6.774 0.618 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.528 8.369 -0.089 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.426 7.711 -0.877 1.00 0.22 H new ATOM 0 HG22 VAL A 46 6.941 9.216 -0.062 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.203 8.184 0.652 1.00 0.22 H new ATOM 405 N VAL A 47 5.017 6.062 3.213 1.00 0.20 N ATOM 406 CA VAL A 47 3.933 5.268 3.799 1.00 0.23 C ATOM 407 C VAL A 47 3.598 5.730 5.218 1.00 0.23 C ATOM 408 O VAL A 47 2.429 5.760 5.598 1.00 0.25 O ATOM 409 CB VAL A 47 4.216 3.739 3.775 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.646 3.436 4.159 1.00 0.70 C ATOM 411 CG2 VAL A 47 3.245 2.975 4.669 1.00 0.83 C ATOM 0 H VAL A 47 5.872 5.543 3.014 1.00 0.20 H new ATOM 0 HA VAL A 47 3.064 5.441 3.165 1.00 0.23 H new ATOM 0 HB VAL A 47 4.063 3.401 2.750 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.810 2.359 4.132 1.00 0.70 H new ATOM 0 HG12 VAL A 47 6.322 3.923 3.457 1.00 0.70 H new ATOM 0 HG13 VAL A 47 5.839 3.807 5.166 1.00 0.70 H new ATOM 0 HG21 VAL A 47 3.473 1.910 4.627 1.00 0.83 H new ATOM 0 HG22 VAL A 47 3.342 3.327 5.696 1.00 0.83 H new ATOM 0 HG23 VAL A 47 2.225 3.141 4.324 1.00 0.83 H new ATOM 421 N LYS A 48 4.607 6.125 5.991 1.00 0.26 N ATOM 422 CA LYS A 48 4.365 6.633 7.338 1.00 0.30 C ATOM 423 C LYS A 48 3.476 7.879 7.304 1.00 0.28 C ATOM 424 O LYS A 48 2.624 8.069 8.169 1.00 0.33 O ATOM 425 CB LYS A 48 5.685 6.952 8.038 1.00 0.36 C ATOM 426 CG LYS A 48 5.717 6.540 9.501 1.00 0.53 C ATOM 427 CD LYS A 48 6.486 7.545 10.346 1.00 1.25 C ATOM 428 CE LYS A 48 7.974 7.227 10.381 1.00 1.79 C ATOM 429 NZ LYS A 48 8.299 6.185 11.392 1.00 2.40 N ATOM 0 H LYS A 48 5.588 6.104 5.712 1.00 0.26 H new ATOM 0 HA LYS A 48 3.847 5.855 7.899 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.496 6.450 7.511 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.874 8.023 7.967 1.00 0.36 H new ATOM 0 HG2 LYS A 48 4.698 6.451 9.877 1.00 0.53 H new ATOM 0 HG3 LYS A 48 6.178 5.557 9.593 1.00 0.53 H new ATOM 0 HD2 LYS A 48 6.337 8.548 9.945 1.00 1.25 H new ATOM 0 HD3 LYS A 48 6.090 7.546 11.361 1.00 1.25 H new ATOM 0 HE2 LYS A 48 8.295 6.889 9.396 1.00 1.79 H new ATOM 0 HE3 LYS A 48 8.533 8.135 10.604 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 9.186 5.710 11.129 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 8.408 6.629 12.326 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 7.530 5.486 11.429 1.00 2.40 H new ATOM 443 N THR A 49 3.668 8.719 6.293 1.00 0.23 N ATOM 444 CA THR A 49 2.876 9.932 6.154 1.00 0.24 C ATOM 445 C THR A 49 1.485 9.617 5.590 1.00 0.22 C ATOM 446 O THR A 49 0.498 10.258 5.958 1.00 0.24 O ATOM 447 CB THR A 49 3.597 10.967 5.264 1.00 0.28 C ATOM 448 OG1 THR A 49 4.901 11.229 5.800 1.00 0.55 O ATOM 449 CG2 THR A 49 2.813 12.268 5.176 1.00 0.52 C ATOM 0 H THR A 49 4.364 8.581 5.560 1.00 0.23 H new ATOM 0 HA THR A 49 2.754 10.363 7.148 1.00 0.24 H new ATOM 0 HB THR A 49 3.679 10.553 4.259 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.569 10.713 5.302 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.349 12.974 4.542 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.829 12.072 4.749 1.00 0.52 H new ATOM 0 HG23 THR A 49 2.698 12.692 6.174 1.00 0.52 H new ATOM 457 N LEU A 50 1.418 8.620 4.710 1.00 0.20 N ATOM 458 CA LEU A 50 0.140 8.153 4.175 1.00 0.21 C ATOM 459 C LEU A 50 -0.692 7.537 5.297 1.00 0.20 C ATOM 460 O LEU A 50 -1.893 7.779 5.400 1.00 0.21 O ATOM 461 CB LEU A 50 0.371 7.117 3.060 1.00 0.24 C ATOM 462 CG LEU A 50 -0.577 7.187 1.845 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.084 5.798 1.489 1.00 0.33 C ATOM 464 CD2 LEU A 50 -1.753 8.118 2.107 1.00 0.29 C ATOM 0 H LEU A 50 2.232 8.120 4.353 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.397 9.002 3.753 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.394 7.226 2.700 1.00 0.24 H new ATOM 0 HB3 LEU A 50 0.291 6.122 3.498 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.009 7.589 1.006 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -1.752 5.864 0.630 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.239 5.154 1.244 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -1.625 5.379 2.338 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.400 8.143 1.230 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.319 7.756 2.965 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.383 9.122 2.314 1.00 0.29 H new ATOM 476 N TRP A 51 -0.032 6.752 6.140 1.00 0.22 N ATOM 477 CA TRP A 51 -0.679 6.118 7.280 1.00 0.24 C ATOM 478 C TRP A 51 -1.226 7.159 8.245 1.00 0.26 C ATOM 479 O TRP A 51 -2.311 6.998 8.796 1.00 0.29 O ATOM 480 CB TRP A 51 0.313 5.211 8.015 1.00 0.27 C ATOM 481 CG TRP A 51 -0.344 4.201 8.905 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.758 4.387 10.193 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.662 2.847 8.573 1.00 0.29 C ATOM 484 NE1 TRP A 51 -1.309 3.228 10.682 1.00 0.32 N ATOM 485 CE2 TRP A 51 -1.264 2.270 9.704 1.00 0.31 C ATOM 486 CE3 TRP A 51 -0.496 2.068 7.427 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -1.703 0.950 9.719 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.929 0.760 7.445 1.00 0.37 C ATOM 489 CH2 TRP A 51 -1.527 0.211 8.582 1.00 0.39 C ATOM 0 H TRP A 51 0.962 6.538 6.053 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.509 5.520 6.905 1.00 0.24 H new ATOM 0 HB2 TRP A 51 0.929 4.691 7.282 1.00 0.27 H new ATOM 0 HB3 TRP A 51 0.983 5.829 8.613 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.666 5.310 10.746 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.689 3.101 11.620 1.00 0.32 H new ATOM 0 HE3 TRP A 51 -0.036 2.483 6.542 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -2.166 0.524 10.597 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 -0.804 0.148 6.564 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -1.857 -0.817 8.563 1.00 0.39 H new ATOM 500 N LYS A 52 -0.482 8.239 8.432 1.00 0.27 N ATOM 501 CA LYS A 52 -0.851 9.257 9.407 1.00 0.29 C ATOM 502 C LYS A 52 -1.847 10.265 8.834 1.00 0.30 C ATOM 503 O LYS A 52 -2.059 11.335 9.409 1.00 0.45 O ATOM 504 CB LYS A 52 0.392 9.976 9.912 1.00 0.33 C ATOM 505 CG LYS A 52 1.190 9.170 10.926 1.00 0.48 C ATOM 506 CD LYS A 52 2.020 10.069 11.829 1.00 1.13 C ATOM 507 CE LYS A 52 1.145 10.891 12.765 1.00 1.74 C ATOM 508 NZ LYS A 52 1.392 12.349 12.612 1.00 2.24 N ATOM 0 H LYS A 52 0.380 8.434 7.923 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.340 8.751 10.239 1.00 0.29 H new ATOM 0 HB2 LYS A 52 1.034 10.215 9.064 1.00 0.33 H new ATOM 0 HB3 LYS A 52 0.096 10.923 10.364 1.00 0.33 H new ATOM 0 HG2 LYS A 52 0.510 8.572 11.533 1.00 0.48 H new ATOM 0 HG3 LYS A 52 1.846 8.474 10.403 1.00 0.48 H new ATOM 0 HD2 LYS A 52 2.708 9.460 12.415 1.00 1.13 H new ATOM 0 HD3 LYS A 52 2.627 10.737 11.218 1.00 1.13 H new ATOM 0 HE2 LYS A 52 0.095 10.677 12.563 1.00 1.74 H new ATOM 0 HE3 LYS A 52 1.338 10.596 13.796 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 0.778 12.876 13.266 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 2.388 12.557 12.829 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 1.183 12.636 11.634 1.00 2.24 H new ATOM 522 N HIS A 53 -2.461 9.920 7.711 1.00 0.25 N ATOM 523 CA HIS A 53 -3.505 10.747 7.125 1.00 0.26 C ATOM 524 C HIS A 53 -4.853 10.371 7.729 1.00 0.31 C ATOM 525 O HIS A 53 -5.181 9.188 7.839 1.00 0.35 O ATOM 526 CB HIS A 53 -3.540 10.567 5.609 1.00 0.24 C ATOM 527 CG HIS A 53 -4.062 11.756 4.863 1.00 0.27 C ATOM 528 ND1 HIS A 53 -5.359 11.810 4.414 1.00 0.27 N ATOM 529 CD2 HIS A 53 -3.419 12.888 4.492 1.00 0.37 C ATOM 530 CE1 HIS A 53 -5.473 12.959 3.772 1.00 0.32 C ATOM 531 NE2 HIS A 53 -4.322 13.648 3.795 1.00 0.39 N ATOM 0 H HIS A 53 -2.253 9.070 7.187 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.292 11.794 7.342 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -2.533 10.345 5.257 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.159 9.702 5.371 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -2.391 13.143 4.704 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -6.377 13.300 3.290 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -4.152 14.562 3.375 1.00 0.39 H new ATOM 539 N GLN A 54 -5.642 11.371 8.105 1.00 0.42 N ATOM 540 CA GLN A 54 -6.912 11.127 8.786 1.00 0.54 C ATOM 541 C GLN A 54 -7.983 10.619 7.823 1.00 0.42 C ATOM 542 O GLN A 54 -9.097 10.288 8.233 1.00 0.47 O ATOM 543 CB GLN A 54 -7.397 12.400 9.482 1.00 0.79 C ATOM 544 CG GLN A 54 -7.051 12.451 10.961 1.00 1.09 C ATOM 545 CD GLN A 54 -7.357 11.149 11.674 1.00 1.24 C ATOM 546 OE1 GLN A 54 -8.521 10.780 11.845 1.00 1.91 O ATOM 547 NE2 GLN A 54 -6.320 10.444 12.094 1.00 1.21 N ATOM 0 H GLN A 54 -5.427 12.356 7.951 1.00 0.42 H new ATOM 0 HA GLN A 54 -6.738 10.352 9.532 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -6.960 13.266 8.985 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -8.478 12.478 9.367 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -5.992 12.684 11.075 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -7.608 13.260 11.434 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -5.372 10.785 11.932 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -6.468 9.559 12.580 1.00 1.21 H new ATOM 556 N PHE A 55 -7.650 10.566 6.544 1.00 0.36 N ATOM 557 CA PHE A 55 -8.567 10.040 5.547 1.00 0.31 C ATOM 558 C PHE A 55 -8.121 8.650 5.102 1.00 0.27 C ATOM 559 O PHE A 55 -8.742 8.029 4.247 1.00 0.29 O ATOM 560 CB PHE A 55 -8.648 10.989 4.346 1.00 0.36 C ATOM 561 CG PHE A 55 -9.719 12.042 4.468 1.00 0.45 C ATOM 562 CD1 PHE A 55 -10.117 12.499 5.714 1.00 0.62 C ATOM 563 CD2 PHE A 55 -10.326 12.571 3.341 1.00 0.73 C ATOM 564 CE1 PHE A 55 -11.098 13.465 5.832 1.00 0.76 C ATOM 565 CE2 PHE A 55 -11.308 13.536 3.453 1.00 0.93 C ATOM 566 CZ PHE A 55 -11.694 13.986 4.687 1.00 0.86 C ATOM 0 H PHE A 55 -6.754 10.880 6.172 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.559 9.960 5.991 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -7.683 11.480 4.218 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -8.830 10.403 3.445 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -9.655 12.096 6.603 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -10.028 12.225 2.362 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -11.401 13.814 6.808 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -11.773 13.937 2.564 1.00 0.93 H new ATOM 0 HZ PHE A 55 -12.459 14.743 4.772 1.00 0.86 H new ATOM 576 N ALA A 56 -7.038 8.162 5.700 1.00 0.25 N ATOM 577 CA ALA A 56 -6.487 6.858 5.348 1.00 0.25 C ATOM 578 C ALA A 56 -6.884 5.803 6.370 1.00 0.26 C ATOM 579 O ALA A 56 -6.355 4.690 6.372 1.00 0.28 O ATOM 580 CB ALA A 56 -4.972 6.937 5.236 1.00 0.28 C ATOM 0 H ALA A 56 -6.524 8.652 6.432 1.00 0.25 H new ATOM 0 HA ALA A 56 -6.898 6.567 4.381 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.575 5.957 4.973 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -4.701 7.657 4.464 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.553 7.254 6.191 1.00 0.28 H new ATOM 586 N TRP A 57 -7.840 6.151 7.221 1.00 0.30 N ATOM 587 CA TRP A 57 -8.256 5.268 8.308 1.00 0.34 C ATOM 588 C TRP A 57 -8.923 3.961 7.820 1.00 0.35 C ATOM 589 O TRP A 57 -8.731 2.921 8.451 1.00 0.40 O ATOM 590 CB TRP A 57 -9.149 6.012 9.321 1.00 0.37 C ATOM 591 CG TRP A 57 -10.500 6.412 8.810 1.00 0.38 C ATOM 592 CD1 TRP A 57 -10.813 7.555 8.135 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.723 5.675 8.944 1.00 0.42 C ATOM 594 NE1 TRP A 57 -12.152 7.571 7.837 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.732 6.431 8.322 1.00 0.46 C ATOM 596 CE3 TRP A 57 -12.064 4.446 9.524 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -14.053 6.005 8.263 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -13.378 4.026 9.467 1.00 0.54 C ATOM 599 CH2 TRP A 57 -14.360 4.804 8.839 1.00 0.58 C ATOM 0 H TRP A 57 -8.343 7.037 7.182 1.00 0.30 H new ATOM 0 HA TRP A 57 -7.341 4.963 8.816 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -9.283 5.377 10.197 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.625 6.908 9.654 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -10.111 8.333 7.874 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.637 8.314 7.334 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -11.313 3.838 10.007 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -14.811 6.602 7.779 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.654 3.082 9.914 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -15.379 4.448 8.810 1.00 0.58 H new ATOM 610 N PRO A 58 -9.701 3.947 6.700 1.00 0.34 N ATOM 611 CA PRO A 58 -10.314 2.705 6.212 1.00 0.40 C ATOM 612 C PRO A 58 -9.298 1.790 5.534 1.00 0.36 C ATOM 613 O PRO A 58 -9.626 0.690 5.100 1.00 0.45 O ATOM 614 CB PRO A 58 -11.365 3.179 5.197 1.00 0.47 C ATOM 615 CG PRO A 58 -11.405 4.666 5.298 1.00 0.40 C ATOM 616 CD PRO A 58 -10.070 5.082 5.835 1.00 0.32 C ATOM 0 HA PRO A 58 -10.736 2.119 7.029 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -11.100 2.865 4.187 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -12.341 2.748 5.419 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -11.591 5.118 4.324 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -12.209 4.990 5.959 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.343 5.237 5.038 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -10.132 6.015 6.395 1.00 0.32 H new ATOM 624 N PHE A 59 -8.059 2.255 5.454 1.00 0.31 N ATOM 625 CA PHE A 59 -6.995 1.489 4.828 1.00 0.31 C ATOM 626 C PHE A 59 -6.043 0.939 5.885 1.00 0.31 C ATOM 627 O PHE A 59 -4.971 0.429 5.567 1.00 0.52 O ATOM 628 CB PHE A 59 -6.227 2.370 3.841 1.00 0.36 C ATOM 629 CG PHE A 59 -6.681 2.230 2.415 1.00 0.47 C ATOM 630 CD1 PHE A 59 -6.517 1.035 1.736 1.00 0.92 C ATOM 631 CD2 PHE A 59 -7.265 3.298 1.753 1.00 0.68 C ATOM 632 CE1 PHE A 59 -6.927 0.906 0.424 1.00 1.11 C ATOM 633 CE2 PHE A 59 -7.678 3.175 0.439 1.00 0.87 C ATOM 634 CZ PHE A 59 -7.508 1.977 -0.225 1.00 0.95 C ATOM 0 H PHE A 59 -7.767 3.163 5.817 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.439 0.652 4.289 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.330 3.412 4.144 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -5.167 2.124 3.900 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -6.063 0.194 2.238 1.00 0.92 H new ATOM 0 HD2 PHE A 59 -7.399 4.237 2.269 1.00 0.68 H new ATOM 0 HE1 PHE A 59 -6.793 -0.032 -0.094 1.00 1.11 H new ATOM 0 HE2 PHE A 59 -8.132 4.014 -0.066 1.00 0.87 H new ATOM 0 HZ PHE A 59 -7.829 1.878 -1.251 1.00 0.95 H new ATOM 644 N TYR A 60 -6.448 1.051 7.145 1.00 0.35 N ATOM 645 CA TYR A 60 -5.626 0.594 8.267 1.00 0.39 C ATOM 646 C TYR A 60 -5.726 -0.913 8.448 1.00 0.45 C ATOM 647 O TYR A 60 -4.940 -1.514 9.182 1.00 0.63 O ATOM 648 CB TYR A 60 -6.072 1.271 9.564 1.00 0.46 C ATOM 649 CG TYR A 60 -5.627 2.707 9.726 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.727 3.300 8.846 1.00 0.32 C ATOM 651 CD2 TYR A 60 -6.114 3.473 10.778 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.332 4.616 9.012 1.00 0.31 C ATOM 653 CE2 TYR A 60 -5.725 4.785 10.949 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.834 5.353 10.067 1.00 0.45 C ATOM 655 OH TYR A 60 -4.445 6.662 10.243 1.00 0.58 O ATOM 0 H TYR A 60 -7.343 1.455 7.419 1.00 0.35 H new ATOM 0 HA TYR A 60 -4.593 0.859 8.041 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -7.160 1.236 9.618 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -5.693 0.692 10.406 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -4.331 2.725 8.022 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -6.811 3.032 11.476 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.635 5.065 8.320 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -6.118 5.364 11.771 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.491 6.750 10.039 1.00 0.58 H new ATOM 665 N GLN A 61 -6.702 -1.519 7.789 1.00 0.46 N ATOM 666 CA GLN A 61 -6.974 -2.933 7.973 1.00 0.55 C ATOM 667 C GLN A 61 -6.672 -3.708 6.702 1.00 0.56 C ATOM 668 O GLN A 61 -7.013 -3.267 5.605 1.00 0.57 O ATOM 669 CB GLN A 61 -8.428 -3.138 8.391 1.00 0.65 C ATOM 670 CG GLN A 61 -8.757 -2.524 9.741 1.00 0.71 C ATOM 671 CD GLN A 61 -10.079 -1.783 9.750 1.00 1.09 C ATOM 672 OE1 GLN A 61 -11.148 -2.394 9.799 1.00 1.57 O ATOM 673 NE2 GLN A 61 -10.016 -0.462 9.719 1.00 1.63 N ATOM 0 H GLN A 61 -7.318 -1.052 7.123 1.00 0.46 H new ATOM 0 HA GLN A 61 -6.325 -3.311 8.763 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -9.081 -2.705 7.634 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -8.642 -4.206 8.423 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -8.783 -3.311 10.495 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -7.960 -1.837 10.025 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -9.110 0.005 9.679 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -10.874 0.090 9.736 1.00 1.63 H new ATOM 682 N PRO A 62 -6.017 -4.870 6.840 1.00 0.63 N ATOM 683 CA PRO A 62 -5.651 -5.714 5.700 1.00 0.68 C ATOM 684 C PRO A 62 -6.866 -6.316 5.003 1.00 0.69 C ATOM 685 O PRO A 62 -7.834 -6.734 5.653 1.00 0.77 O ATOM 686 CB PRO A 62 -4.795 -6.818 6.327 1.00 0.78 C ATOM 687 CG PRO A 62 -5.196 -6.857 7.759 1.00 0.87 C ATOM 688 CD PRO A 62 -5.577 -5.451 8.124 1.00 0.73 C ATOM 0 HA PRO A 62 -5.135 -5.143 4.928 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -4.973 -7.778 5.842 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -3.732 -6.600 6.222 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -6.032 -7.539 7.911 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -4.377 -7.213 8.383 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -6.374 -5.431 8.868 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -4.734 -4.903 8.545 1.00 0.73 H new ATOM 696 N VAL A 63 -6.815 -6.374 3.680 1.00 0.66 N ATOM 697 CA VAL A 63 -7.904 -6.947 2.915 1.00 0.69 C ATOM 698 C VAL A 63 -7.740 -8.458 2.856 1.00 0.77 C ATOM 699 O VAL A 63 -7.143 -9.021 1.938 1.00 0.88 O ATOM 700 CB VAL A 63 -8.022 -6.354 1.491 1.00 0.73 C ATOM 701 CG1 VAL A 63 -8.976 -7.180 0.642 1.00 0.82 C ATOM 702 CG2 VAL A 63 -8.511 -4.917 1.557 1.00 0.75 C ATOM 0 H VAL A 63 -6.034 -6.032 3.120 1.00 0.66 H new ATOM 0 HA VAL A 63 -8.832 -6.693 3.426 1.00 0.69 H new ATOM 0 HB VAL A 63 -7.034 -6.376 1.032 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -9.044 -6.746 -0.355 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -8.605 -8.202 0.568 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -9.963 -7.185 1.104 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -8.589 -4.513 0.548 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -9.489 -4.887 2.037 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -7.806 -4.319 2.134 1.00 0.75 H new ATOM 712 N ASP A 64 -8.258 -9.098 3.881 1.00 0.79 N ATOM 713 CA ASP A 64 -8.252 -10.543 3.974 1.00 0.93 C ATOM 714 C ASP A 64 -9.647 -11.058 3.638 1.00 1.00 C ATOM 715 O ASP A 64 -10.005 -12.212 3.902 1.00 1.51 O ATOM 716 CB ASP A 64 -7.760 -10.955 5.377 1.00 1.02 C ATOM 717 CG ASP A 64 -8.838 -11.490 6.306 1.00 1.29 C ATOM 718 OD1 ASP A 64 -9.906 -10.847 6.409 1.00 1.85 O ATOM 719 OD2 ASP A 64 -8.641 -12.557 6.913 1.00 1.42 O ATOM 0 H ASP A 64 -8.696 -8.631 4.675 1.00 0.79 H new ATOM 0 HA ASP A 64 -7.564 -10.993 3.258 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -6.988 -11.716 5.265 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -7.291 -10.092 5.849 1.00 1.02 H new ATOM 724 N ALA A 65 -10.405 -10.160 3.008 1.00 0.94 N ATOM 725 CA ALA A 65 -11.798 -10.370 2.631 1.00 0.94 C ATOM 726 C ALA A 65 -12.724 -10.202 3.826 1.00 1.03 C ATOM 727 O ALA A 65 -13.485 -9.256 3.881 1.00 1.29 O ATOM 728 CB ALA A 65 -12.023 -11.719 1.953 1.00 0.96 C ATOM 0 H ALA A 65 -10.054 -9.241 2.739 1.00 0.94 H new ATOM 0 HA ALA A 65 -12.041 -9.601 1.898 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -13.076 -11.824 1.693 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -11.418 -11.777 1.048 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -11.735 -12.521 2.633 1.00 0.96 H new ATOM 734 N ILE A 66 -12.624 -11.082 4.802 1.00 1.03 N ATOM 735 CA ILE A 66 -13.596 -11.111 5.889 1.00 1.14 C ATOM 736 C ILE A 66 -13.381 -9.970 6.887 1.00 1.13 C ATOM 737 O ILE A 66 -14.345 -9.394 7.388 1.00 1.19 O ATOM 738 CB ILE A 66 -13.571 -12.468 6.624 1.00 1.24 C ATOM 739 CG1 ILE A 66 -13.862 -13.600 5.637 1.00 1.35 C ATOM 740 CG2 ILE A 66 -14.585 -12.480 7.761 1.00 1.37 C ATOM 741 CD1 ILE A 66 -13.447 -14.965 6.135 1.00 1.89 C ATOM 0 H ILE A 66 -11.887 -11.784 4.870 1.00 1.03 H new ATOM 0 HA ILE A 66 -14.577 -10.975 5.433 1.00 1.14 H new ATOM 0 HB ILE A 66 -12.579 -12.617 7.051 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -14.930 -13.613 5.418 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -13.346 -13.393 4.699 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -14.553 -13.445 8.267 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -14.344 -11.689 8.471 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -15.585 -12.315 7.359 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -13.685 -15.715 5.381 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -12.374 -14.971 6.327 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -13.982 -15.194 7.057 1.00 1.89 H new ATOM 753 N LYS A 67 -12.124 -9.637 7.156 1.00 1.10 N ATOM 754 CA LYS A 67 -11.781 -8.604 8.134 1.00 1.15 C ATOM 755 C LYS A 67 -12.417 -7.258 7.793 1.00 1.13 C ATOM 756 O LYS A 67 -13.040 -6.622 8.643 1.00 1.27 O ATOM 757 CB LYS A 67 -10.271 -8.453 8.224 1.00 1.21 C ATOM 758 CG LYS A 67 -9.741 -8.380 9.646 1.00 1.50 C ATOM 759 CD LYS A 67 -8.761 -9.508 9.927 1.00 1.90 C ATOM 760 CE LYS A 67 -9.459 -10.860 9.979 1.00 2.46 C ATOM 761 NZ LYS A 67 -8.562 -11.970 9.558 1.00 2.99 N ATOM 0 H LYS A 67 -11.317 -10.070 6.707 1.00 1.10 H new ATOM 0 HA LYS A 67 -12.178 -8.922 9.098 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -9.801 -9.294 7.715 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -9.974 -7.551 7.690 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -9.250 -7.420 9.805 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -10.572 -8.433 10.350 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -7.993 -9.524 9.153 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -8.255 -9.323 10.875 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -9.813 -11.046 10.993 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -10.337 -10.839 9.333 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -8.866 -12.329 8.630 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -7.585 -11.620 9.491 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -8.608 -12.738 10.258 1.00 2.99 H new ATOM 775 N LEU A 68 -12.252 -6.824 6.552 1.00 1.02 N ATOM 776 CA LEU A 68 -12.836 -5.561 6.107 1.00 1.03 C ATOM 777 C LEU A 68 -14.182 -5.814 5.425 1.00 1.05 C ATOM 778 O LEU A 68 -14.882 -4.881 5.023 1.00 1.10 O ATOM 779 CB LEU A 68 -11.869 -4.838 5.164 1.00 1.02 C ATOM 780 CG LEU A 68 -11.992 -3.310 5.138 1.00 1.07 C ATOM 781 CD1 LEU A 68 -11.973 -2.744 6.547 1.00 1.61 C ATOM 782 CD2 LEU A 68 -10.875 -2.704 4.306 1.00 1.66 C ATOM 0 H LEU A 68 -11.722 -7.322 5.837 1.00 1.02 H new ATOM 0 HA LEU A 68 -13.009 -4.922 6.973 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -10.849 -5.098 5.448 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -12.025 -5.215 4.153 1.00 1.02 H new ATOM 0 HG LEU A 68 -12.947 -3.051 4.680 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -12.061 -1.658 6.504 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -12.808 -3.154 7.115 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -11.036 -3.013 7.034 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -10.976 -1.619 4.297 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -9.912 -2.975 4.738 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -10.935 -3.082 3.286 1.00 1.66 H new ATOM 794 N ASN A 69 -14.526 -7.095 5.320 1.00 1.06 N ATOM 795 CA ASN A 69 -15.784 -7.551 4.728 1.00 1.12 C ATOM 796 C ASN A 69 -15.889 -7.189 3.248 1.00 1.09 C ATOM 797 O ASN A 69 -16.824 -6.514 2.818 1.00 1.15 O ATOM 798 CB ASN A 69 -16.986 -7.026 5.506 1.00 1.24 C ATOM 799 CG ASN A 69 -18.107 -8.044 5.577 1.00 1.34 C ATOM 800 OD1 ASN A 69 -19.200 -7.823 5.059 1.00 1.74 O ATOM 801 ND2 ASN A 69 -17.843 -9.165 6.229 1.00 1.55 N ATOM 0 H ASN A 69 -13.932 -7.857 5.648 1.00 1.06 H new ATOM 0 HA ASN A 69 -15.787 -8.639 4.794 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -16.675 -6.758 6.516 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -17.353 -6.115 5.034 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -18.560 -9.885 6.316 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -16.923 -9.309 6.644 1.00 1.55 H new ATOM 808 N LEU A 70 -14.905 -7.648 2.483 1.00 1.04 N ATOM 809 CA LEU A 70 -14.912 -7.548 1.030 1.00 1.01 C ATOM 810 C LEU A 70 -14.791 -8.951 0.437 1.00 0.99 C ATOM 811 O LEU A 70 -13.709 -9.358 0.014 1.00 0.95 O ATOM 812 CB LEU A 70 -13.747 -6.678 0.524 1.00 1.01 C ATOM 813 CG LEU A 70 -13.890 -5.167 0.718 1.00 1.13 C ATOM 814 CD1 LEU A 70 -15.346 -4.731 0.644 1.00 1.61 C ATOM 815 CD2 LEU A 70 -13.267 -4.759 2.038 1.00 1.54 C ATOM 0 H LEU A 70 -14.073 -8.104 2.858 1.00 1.04 H new ATOM 0 HA LEU A 70 -15.846 -7.080 0.718 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -12.836 -7.002 1.027 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -13.611 -6.874 -0.540 1.00 1.01 H new ATOM 0 HG LEU A 70 -13.363 -4.664 -0.093 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -15.410 -3.652 0.786 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -15.755 -4.994 -0.331 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -15.917 -5.234 1.424 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -13.371 -3.682 2.172 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -13.771 -5.277 2.854 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -12.210 -5.024 2.039 1.00 1.54 H new ATOM 827 N PRO A 71 -15.896 -9.712 0.407 1.00 1.06 N ATOM 828 CA PRO A 71 -15.867 -11.122 0.003 1.00 1.11 C ATOM 829 C PRO A 71 -15.548 -11.317 -1.477 1.00 1.05 C ATOM 830 O PRO A 71 -14.899 -12.293 -1.861 1.00 1.09 O ATOM 831 CB PRO A 71 -17.283 -11.613 0.314 1.00 1.28 C ATOM 832 CG PRO A 71 -18.138 -10.395 0.306 1.00 1.30 C ATOM 833 CD PRO A 71 -17.258 -9.259 0.754 1.00 1.18 C ATOM 0 HA PRO A 71 -15.082 -11.668 0.526 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -17.620 -12.334 -0.431 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -17.321 -12.113 1.282 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -18.538 -10.207 -0.690 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -18.990 -10.514 0.975 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -17.513 -8.330 0.244 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -17.358 -9.073 1.823 1.00 1.18 H new ATOM 841 N ASP A 72 -15.985 -10.377 -2.304 1.00 1.04 N ATOM 842 CA ASP A 72 -15.835 -10.513 -3.748 1.00 1.07 C ATOM 843 C ASP A 72 -14.568 -9.829 -4.236 1.00 0.94 C ATOM 844 O ASP A 72 -14.331 -9.729 -5.443 1.00 0.95 O ATOM 845 CB ASP A 72 -17.053 -9.940 -4.470 1.00 1.24 C ATOM 846 CG ASP A 72 -17.818 -10.999 -5.238 1.00 1.49 C ATOM 847 OD1 ASP A 72 -17.631 -12.200 -4.952 1.00 1.93 O ATOM 848 OD2 ASP A 72 -18.603 -10.640 -6.141 1.00 1.97 O ATOM 0 H ASP A 72 -16.444 -9.517 -2.003 1.00 1.04 H new ATOM 0 HA ASP A 72 -15.758 -11.576 -3.976 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -17.716 -9.472 -3.743 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -16.730 -9.158 -5.157 1.00 1.24 H new ATOM 853 N TYR A 73 -13.748 -9.366 -3.296 1.00 0.87 N ATOM 854 CA TYR A 73 -12.493 -8.700 -3.632 1.00 0.79 C ATOM 855 C TYR A 73 -11.602 -9.632 -4.439 1.00 0.74 C ATOM 856 O TYR A 73 -11.021 -9.229 -5.441 1.00 0.73 O ATOM 857 CB TYR A 73 -11.756 -8.262 -2.364 1.00 0.78 C ATOM 858 CG TYR A 73 -11.112 -6.894 -2.453 1.00 0.73 C ATOM 859 CD1 TYR A 73 -11.852 -5.743 -2.219 1.00 0.88 C ATOM 860 CD2 TYR A 73 -9.761 -6.755 -2.751 1.00 0.80 C ATOM 861 CE1 TYR A 73 -11.268 -4.493 -2.282 1.00 0.97 C ATOM 862 CE2 TYR A 73 -9.171 -5.508 -2.810 1.00 0.90 C ATOM 863 CZ TYR A 73 -9.928 -4.381 -2.575 1.00 0.94 C ATOM 864 OH TYR A 73 -9.344 -3.139 -2.630 1.00 1.13 O ATOM 0 H TYR A 73 -13.930 -9.440 -2.295 1.00 0.87 H new ATOM 0 HA TYR A 73 -12.727 -7.817 -4.227 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -12.459 -8.265 -1.531 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -10.986 -8.998 -2.134 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -12.903 -5.826 -1.984 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -9.164 -7.635 -2.939 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -11.860 -3.608 -2.102 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -8.120 -5.416 -3.040 1.00 0.90 H new ATOM 0 HH TYR A 73 -9.910 -2.490 -2.162 1.00 1.13 H new ATOM 874 N HIS A 74 -11.545 -10.888 -4.016 1.00 0.79 N ATOM 875 CA HIS A 74 -10.658 -11.875 -4.627 1.00 0.80 C ATOM 876 C HIS A 74 -11.220 -12.380 -5.955 1.00 0.85 C ATOM 877 O HIS A 74 -10.623 -13.235 -6.605 1.00 0.91 O ATOM 878 CB HIS A 74 -10.438 -13.061 -3.676 1.00 0.89 C ATOM 879 CG HIS A 74 -10.002 -12.674 -2.291 1.00 0.79 C ATOM 880 ND1 HIS A 74 -9.422 -11.455 -2.028 1.00 0.91 N ATOM 881 CD2 HIS A 74 -10.085 -13.379 -1.139 1.00 0.91 C ATOM 882 CE1 HIS A 74 -9.170 -11.445 -0.731 1.00 0.78 C ATOM 883 NE2 HIS A 74 -9.553 -12.590 -0.151 1.00 0.82 N ATOM 0 H HIS A 74 -12.107 -11.251 -3.246 1.00 0.79 H new ATOM 0 HA HIS A 74 -9.704 -11.385 -4.820 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -11.364 -13.631 -3.606 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -9.688 -13.723 -4.108 1.00 0.89 H new ATOM 0 HD2 HIS A 74 -10.492 -14.372 -1.020 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -8.714 -10.619 -0.206 1.00 0.78 H new ATOM 0 HE2 HIS A 74 -9.466 -12.829 0.837 1.00 0.82 H new ATOM 891 N LYS A 75 -12.372 -11.860 -6.356 1.00 0.89 N ATOM 892 CA LYS A 75 -12.991 -12.270 -7.606 1.00 0.97 C ATOM 893 C LYS A 75 -12.668 -11.272 -8.708 1.00 0.92 C ATOM 894 O LYS A 75 -12.421 -11.646 -9.856 1.00 1.11 O ATOM 895 CB LYS A 75 -14.505 -12.389 -7.438 1.00 1.09 C ATOM 896 CG LYS A 75 -14.924 -13.449 -6.435 1.00 1.20 C ATOM 897 CD LYS A 75 -15.814 -14.499 -7.081 1.00 1.68 C ATOM 898 CE LYS A 75 -16.482 -15.382 -6.039 1.00 2.05 C ATOM 899 NZ LYS A 75 -17.773 -14.815 -5.572 1.00 2.86 N ATOM 0 H LYS A 75 -12.894 -11.156 -5.835 1.00 0.89 H new ATOM 0 HA LYS A 75 -12.591 -13.245 -7.884 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -14.904 -11.425 -7.123 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -14.952 -12.619 -8.405 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -14.038 -13.927 -6.017 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -15.454 -12.979 -5.606 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -16.576 -14.009 -7.686 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -15.220 -15.116 -7.755 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -16.653 -16.373 -6.460 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -15.813 -15.508 -5.188 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -18.202 -15.457 -4.875 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -17.606 -13.888 -5.132 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -18.416 -14.703 -6.382 1.00 2.86 H new ATOM 913 N ILE A 76 -12.667 -9.999 -8.353 1.00 0.78 N ATOM 914 CA ILE A 76 -12.397 -8.942 -9.311 1.00 0.77 C ATOM 915 C ILE A 76 -10.948 -8.478 -9.210 1.00 0.69 C ATOM 916 O ILE A 76 -10.288 -8.228 -10.218 1.00 0.78 O ATOM 917 CB ILE A 76 -13.348 -7.743 -9.097 1.00 0.82 C ATOM 918 CG1 ILE A 76 -14.797 -8.185 -9.301 1.00 0.94 C ATOM 919 CG2 ILE A 76 -13.003 -6.600 -10.042 1.00 0.87 C ATOM 920 CD1 ILE A 76 -15.712 -7.833 -8.148 1.00 1.00 C ATOM 0 H ILE A 76 -12.851 -9.672 -7.405 1.00 0.78 H new ATOM 0 HA ILE A 76 -12.569 -9.348 -10.308 1.00 0.77 H new ATOM 0 HB ILE A 76 -13.227 -7.383 -8.075 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -15.182 -7.726 -10.211 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -14.820 -9.264 -9.454 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -13.687 -5.768 -9.872 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -11.980 -6.272 -9.858 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -13.095 -6.940 -11.073 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -16.722 -8.179 -8.367 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -15.353 -8.314 -7.238 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -15.721 -6.752 -8.007 1.00 1.00 H new ATOM 932 N ILE A 77 -10.453 -8.389 -7.984 1.00 0.58 N ATOM 933 CA ILE A 77 -9.101 -7.920 -7.735 1.00 0.53 C ATOM 934 C ILE A 77 -8.155 -9.107 -7.563 1.00 0.64 C ATOM 935 O ILE A 77 -8.387 -9.983 -6.730 1.00 0.75 O ATOM 936 CB ILE A 77 -9.049 -7.018 -6.479 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.023 -5.840 -6.618 1.00 0.47 C ATOM 938 CG2 ILE A 77 -7.641 -6.510 -6.236 1.00 0.44 C ATOM 939 CD1 ILE A 77 -9.770 -4.972 -7.833 1.00 0.50 C ATOM 0 H ILE A 77 -10.973 -8.638 -7.142 1.00 0.58 H new ATOM 0 HA ILE A 77 -8.784 -7.330 -8.595 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.350 -7.619 -5.621 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.041 -6.227 -6.666 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -9.959 -5.222 -5.723 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -7.630 -5.878 -5.348 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -6.970 -7.356 -6.088 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.310 -5.930 -7.097 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -10.499 -4.162 -7.860 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -8.765 -4.553 -7.778 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -9.863 -5.575 -8.736 1.00 0.50 H new ATOM 951 N LYS A 78 -7.093 -9.135 -8.361 1.00 0.74 N ATOM 952 CA LYS A 78 -6.158 -10.256 -8.343 1.00 0.90 C ATOM 953 C LYS A 78 -5.058 -10.042 -7.309 1.00 0.73 C ATOM 954 O LYS A 78 -4.364 -10.983 -6.922 1.00 0.72 O ATOM 955 CB LYS A 78 -5.543 -10.458 -9.731 1.00 1.16 C ATOM 956 CG LYS A 78 -6.545 -10.897 -10.786 1.00 1.45 C ATOM 957 CD LYS A 78 -6.937 -9.746 -11.698 1.00 1.67 C ATOM 958 CE LYS A 78 -8.298 -9.976 -12.335 1.00 1.72 C ATOM 959 NZ LYS A 78 -8.196 -10.691 -13.633 1.00 1.99 N ATOM 0 H LYS A 78 -6.858 -8.398 -9.026 1.00 0.74 H new ATOM 0 HA LYS A 78 -6.714 -11.151 -8.066 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -5.077 -9.526 -10.051 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -4.751 -11.204 -9.663 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -6.118 -11.704 -11.381 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -7.435 -11.296 -10.300 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -6.954 -8.818 -11.127 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -6.185 -9.626 -12.478 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -8.924 -10.552 -11.653 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -8.792 -9.017 -12.488 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -9.147 -10.826 -14.031 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -7.621 -10.131 -14.294 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -7.748 -11.618 -13.485 1.00 1.99 H new ATOM 973 N ASN A 79 -4.896 -8.804 -6.868 1.00 0.67 N ATOM 974 CA ASN A 79 -3.912 -8.479 -5.842 1.00 0.56 C ATOM 975 C ASN A 79 -4.565 -7.692 -4.712 1.00 0.54 C ATOM 976 O ASN A 79 -4.584 -6.460 -4.729 1.00 0.52 O ATOM 977 CB ASN A 79 -2.753 -7.676 -6.438 1.00 0.60 C ATOM 978 CG ASN A 79 -1.609 -8.559 -6.899 1.00 1.09 C ATOM 979 OD1 ASN A 79 -0.846 -9.089 -6.090 1.00 2.05 O ATOM 980 ND2 ASN A 79 -1.478 -8.716 -8.208 1.00 1.28 N ATOM 0 H ASN A 79 -5.434 -8.005 -7.204 1.00 0.67 H new ATOM 0 HA ASN A 79 -3.517 -9.412 -5.441 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -3.118 -7.090 -7.282 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -2.385 -6.969 -5.694 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -0.724 -9.293 -8.579 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -2.132 -8.259 -8.844 1.00 1.28 H new ATOM 987 N PRO A 80 -5.128 -8.396 -3.722 1.00 0.58 N ATOM 988 CA PRO A 80 -5.799 -7.770 -2.580 1.00 0.60 C ATOM 989 C PRO A 80 -4.806 -7.099 -1.632 1.00 0.55 C ATOM 990 O PRO A 80 -4.283 -7.728 -0.713 1.00 0.64 O ATOM 991 CB PRO A 80 -6.511 -8.938 -1.882 1.00 0.70 C ATOM 992 CG PRO A 80 -6.375 -10.113 -2.792 1.00 0.89 C ATOM 993 CD PRO A 80 -5.158 -9.860 -3.628 1.00 0.67 C ATOM 0 HA PRO A 80 -6.480 -6.978 -2.892 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -6.061 -9.144 -0.911 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -7.560 -8.703 -1.704 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -6.270 -11.036 -2.222 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -7.260 -10.224 -3.418 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -4.256 -10.254 -3.159 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -5.237 -10.327 -4.610 1.00 0.67 H new ATOM 1001 N MET A 81 -4.535 -5.826 -1.879 1.00 0.46 N ATOM 1002 CA MET A 81 -3.580 -5.069 -1.078 1.00 0.43 C ATOM 1003 C MET A 81 -4.241 -3.852 -0.476 1.00 0.43 C ATOM 1004 O MET A 81 -5.182 -3.286 -1.038 1.00 0.55 O ATOM 1005 CB MET A 81 -2.375 -4.645 -1.926 1.00 0.44 C ATOM 1006 CG MET A 81 -1.804 -5.767 -2.778 1.00 0.74 C ATOM 1007 SD MET A 81 -0.347 -6.535 -2.039 1.00 0.82 S ATOM 1008 CE MET A 81 -1.056 -8.060 -1.422 1.00 0.70 C ATOM 0 H MET A 81 -4.966 -5.291 -2.633 1.00 0.46 H new ATOM 0 HA MET A 81 -3.229 -5.714 -0.272 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.671 -3.821 -2.576 1.00 0.44 H new ATOM 0 HB3 MET A 81 -1.593 -4.267 -1.267 1.00 0.44 H new ATOM 0 HG2 MET A 81 -2.571 -6.526 -2.932 1.00 0.74 H new ATOM 0 HG3 MET A 81 -1.543 -5.374 -3.761 1.00 0.74 H new ATOM 0 HE1 MET A 81 -0.426 -8.458 -0.626 1.00 0.70 H new ATOM 0 HE2 MET A 81 -2.055 -7.865 -1.031 1.00 0.70 H new ATOM 0 HE3 MET A 81 -1.119 -8.786 -2.233 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.731 -3.464 0.671 1.00 0.37 N ATOM 1019 CA ASP A 82 -4.269 -2.351 1.430 1.00 0.36 C ATOM 1020 C ASP A 82 -3.136 -1.389 1.773 1.00 0.35 C ATOM 1021 O ASP A 82 -2.483 -0.868 0.878 1.00 0.53 O ATOM 1022 CB ASP A 82 -4.963 -2.874 2.693 1.00 0.38 C ATOM 1023 CG ASP A 82 -4.157 -3.959 3.381 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -4.327 -5.147 3.039 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -3.328 -3.625 4.245 1.00 1.32 O ATOM 0 H ASP A 82 -2.926 -3.913 1.109 1.00 0.37 H new ATOM 0 HA ASP A 82 -5.012 -1.814 0.840 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -5.123 -2.048 3.386 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -5.946 -3.265 2.430 1.00 0.38 H new ATOM 1030 N MET A 83 -2.883 -1.162 3.052 1.00 0.27 N ATOM 1031 CA MET A 83 -1.744 -0.347 3.456 1.00 0.26 C ATOM 1032 C MET A 83 -0.978 -1.019 4.589 1.00 0.25 C ATOM 1033 O MET A 83 0.192 -0.717 4.829 1.00 0.26 O ATOM 1034 CB MET A 83 -2.186 1.056 3.875 1.00 0.31 C ATOM 1035 CG MET A 83 -1.378 2.164 3.215 1.00 0.43 C ATOM 1036 SD MET A 83 -0.949 3.491 4.357 1.00 0.80 S ATOM 1037 CE MET A 83 -2.575 4.098 4.799 1.00 0.38 C ATOM 0 H MET A 83 -3.443 -1.526 3.823 1.00 0.27 H new ATOM 0 HA MET A 83 -1.083 -0.251 2.594 1.00 0.26 H new ATOM 0 HB2 MET A 83 -3.239 1.187 3.627 1.00 0.31 H new ATOM 0 HB3 MET A 83 -2.100 1.148 4.958 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.464 1.741 2.797 1.00 0.43 H new ATOM 0 HG3 MET A 83 -1.948 2.577 2.383 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.563 5.188 4.820 1.00 0.38 H new ATOM 0 HE2 MET A 83 -3.303 3.757 4.063 1.00 0.38 H new ATOM 0 HE3 MET A 83 -2.850 3.719 5.783 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.626 -1.973 5.247 1.00 0.26 N ATOM 1048 CA GLY A 84 -1.005 -2.665 6.356 1.00 0.29 C ATOM 1049 C GLY A 84 -0.210 -3.832 5.844 1.00 0.26 C ATOM 1050 O GLY A 84 0.804 -4.221 6.422 1.00 0.32 O ATOM 0 H GLY A 84 -2.574 -2.279 5.030 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.355 -1.983 6.905 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.767 -3.010 7.054 1.00 0.29 H new ATOM 1054 N THR A 85 -0.687 -4.383 4.744 1.00 0.24 N ATOM 1055 CA THR A 85 0.029 -5.408 4.017 1.00 0.25 C ATOM 1056 C THR A 85 1.203 -4.792 3.257 1.00 0.26 C ATOM 1057 O THR A 85 2.215 -5.449 3.010 1.00 0.32 O ATOM 1058 CB THR A 85 -0.928 -6.131 3.049 1.00 0.27 C ATOM 1059 OG1 THR A 85 -2.096 -6.561 3.763 1.00 0.95 O ATOM 1060 CG2 THR A 85 -0.266 -7.326 2.385 1.00 0.84 C ATOM 0 H THR A 85 -1.584 -4.130 4.330 1.00 0.24 H new ATOM 0 HA THR A 85 0.424 -6.138 4.724 1.00 0.25 H new ATOM 0 HB THR A 85 -1.205 -5.427 2.264 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.892 -6.147 3.368 1.00 0.95 H new ATOM 0 HG21 THR A 85 -0.975 -7.807 1.711 1.00 0.84 H new ATOM 0 HG22 THR A 85 0.604 -6.992 1.819 1.00 0.84 H new ATOM 0 HG23 THR A 85 0.049 -8.038 3.148 1.00 0.84 H new ATOM 1068 N ILE A 86 1.067 -3.515 2.917 1.00 0.27 N ATOM 1069 CA ILE A 86 2.141 -2.773 2.271 1.00 0.31 C ATOM 1070 C ILE A 86 3.311 -2.621 3.231 1.00 0.29 C ATOM 1071 O ILE A 86 4.429 -3.054 2.948 1.00 0.32 O ATOM 1072 CB ILE A 86 1.671 -1.370 1.831 1.00 0.36 C ATOM 1073 CG1 ILE A 86 0.451 -1.468 0.911 1.00 0.55 C ATOM 1074 CG2 ILE A 86 2.800 -0.620 1.146 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.670 -2.319 -0.318 1.00 0.97 C ATOM 0 H ILE A 86 0.219 -2.971 3.079 1.00 0.27 H new ATOM 0 HA ILE A 86 2.446 -3.332 1.387 1.00 0.31 H new ATOM 0 HB ILE A 86 1.379 -0.814 2.722 1.00 0.36 H new ATOM 0 HG12 ILE A 86 -0.386 -1.876 1.478 1.00 0.55 H new ATOM 0 HG13 ILE A 86 0.164 -0.464 0.598 1.00 0.55 H new ATOM 0 HG21 ILE A 86 2.450 0.367 0.843 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.637 -0.512 1.836 1.00 0.36 H new ATOM 0 HG23 ILE A 86 3.125 -1.176 0.266 1.00 0.36 H new ATOM 0 HD11 ILE A 86 -0.241 -2.336 -0.916 1.00 0.97 H new ATOM 0 HD12 ILE A 86 1.484 -1.901 -0.910 1.00 0.97 H new ATOM 0 HD13 ILE A 86 0.925 -3.335 -0.016 1.00 0.97 H new ATOM 1087 N LYS A 87 3.032 -2.025 4.384 1.00 0.29 N ATOM 1088 CA LYS A 87 4.048 -1.830 5.406 1.00 0.34 C ATOM 1089 C LYS A 87 4.603 -3.173 5.887 1.00 0.34 C ATOM 1090 O LYS A 87 5.736 -3.244 6.360 1.00 0.38 O ATOM 1091 CB LYS A 87 3.486 -1.015 6.584 1.00 0.41 C ATOM 1092 CG LYS A 87 2.661 -1.827 7.571 1.00 0.49 C ATOM 1093 CD LYS A 87 3.125 -1.606 9.003 1.00 0.69 C ATOM 1094 CE LYS A 87 2.556 -2.656 9.943 1.00 1.08 C ATOM 1095 NZ LYS A 87 3.416 -2.852 11.140 1.00 1.15 N ATOM 0 H LYS A 87 2.109 -1.669 4.633 1.00 0.29 H new ATOM 0 HA LYS A 87 4.869 -1.266 4.964 1.00 0.34 H new ATOM 0 HB2 LYS A 87 4.315 -0.551 7.118 1.00 0.41 H new ATOM 0 HB3 LYS A 87 2.868 -0.208 6.190 1.00 0.41 H new ATOM 0 HG2 LYS A 87 1.610 -1.551 7.482 1.00 0.49 H new ATOM 0 HG3 LYS A 87 2.735 -2.886 7.323 1.00 0.49 H new ATOM 0 HD2 LYS A 87 4.214 -1.634 9.042 1.00 0.69 H new ATOM 0 HD3 LYS A 87 2.819 -0.614 9.336 1.00 0.69 H new ATOM 0 HE2 LYS A 87 1.557 -2.357 10.259 1.00 1.08 H new ATOM 0 HE3 LYS A 87 2.453 -3.602 9.411 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 3.277 -3.812 11.514 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 4.414 -2.725 10.875 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 3.160 -2.156 11.869 1.00 1.15 H new ATOM 1109 N LYS A 88 3.812 -4.241 5.740 1.00 0.35 N ATOM 1110 CA LYS A 88 4.246 -5.571 6.141 1.00 0.39 C ATOM 1111 C LYS A 88 5.451 -6.013 5.316 1.00 0.41 C ATOM 1112 O LYS A 88 6.452 -6.465 5.862 1.00 0.46 O ATOM 1113 CB LYS A 88 3.094 -6.568 5.982 1.00 0.42 C ATOM 1114 CG LYS A 88 3.383 -7.954 6.543 1.00 0.73 C ATOM 1115 CD LYS A 88 3.731 -7.915 8.023 1.00 1.26 C ATOM 1116 CE LYS A 88 2.527 -7.549 8.875 1.00 1.68 C ATOM 1117 NZ LYS A 88 2.917 -6.771 10.080 1.00 2.46 N ATOM 0 H LYS A 88 2.872 -4.204 5.347 1.00 0.35 H new ATOM 0 HA LYS A 88 4.543 -5.541 7.189 1.00 0.39 H new ATOM 0 HB2 LYS A 88 2.210 -6.166 6.477 1.00 0.42 H new ATOM 0 HB3 LYS A 88 2.853 -6.660 4.923 1.00 0.42 H new ATOM 0 HG2 LYS A 88 2.513 -8.593 6.393 1.00 0.73 H new ATOM 0 HG3 LYS A 88 4.208 -8.403 5.990 1.00 0.73 H new ATOM 0 HD2 LYS A 88 4.113 -8.888 8.332 1.00 1.26 H new ATOM 0 HD3 LYS A 88 4.529 -7.191 8.190 1.00 1.26 H new ATOM 0 HE2 LYS A 88 1.824 -6.967 8.279 1.00 1.68 H new ATOM 0 HE3 LYS A 88 2.009 -8.458 9.181 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 2.062 -6.440 10.571 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 3.471 -7.376 10.719 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 3.491 -5.952 9.794 1.00 2.46 H new ATOM 1131 N ARG A 89 5.359 -5.854 4.001 1.00 0.40 N ATOM 1132 CA ARG A 89 6.441 -6.244 3.104 1.00 0.44 C ATOM 1133 C ARG A 89 7.661 -5.347 3.303 1.00 0.43 C ATOM 1134 O ARG A 89 8.801 -5.772 3.101 1.00 0.48 O ATOM 1135 CB ARG A 89 5.971 -6.169 1.654 1.00 0.47 C ATOM 1136 CG ARG A 89 5.348 -7.459 1.149 1.00 0.68 C ATOM 1137 CD ARG A 89 4.363 -7.196 0.021 1.00 0.64 C ATOM 1138 NE ARG A 89 5.035 -6.998 -1.264 1.00 0.59 N ATOM 1139 CZ ARG A 89 4.495 -7.321 -2.442 1.00 0.78 C ATOM 1140 NH1 ARG A 89 3.293 -7.886 -2.498 1.00 1.16 N ATOM 1141 NH2 ARG A 89 5.155 -7.078 -3.569 1.00 1.03 N ATOM 0 H ARG A 89 4.545 -5.457 3.531 1.00 0.40 H new ATOM 0 HA ARG A 89 6.726 -7.270 3.337 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.244 -5.362 1.558 1.00 0.47 H new ATOM 0 HB3 ARG A 89 6.819 -5.912 1.019 1.00 0.47 H new ATOM 0 HG2 ARG A 89 6.132 -8.131 0.800 1.00 0.68 H new ATOM 0 HG3 ARG A 89 4.838 -7.964 1.969 1.00 0.68 H new ATOM 0 HD2 ARG A 89 3.671 -8.035 -0.058 1.00 0.64 H new ATOM 0 HD3 ARG A 89 3.769 -6.314 0.258 1.00 0.64 H new ATOM 0 HE ARG A 89 5.970 -6.590 -1.260 1.00 0.59 H new ATOM 0 HH11 ARG A 89 2.778 -8.075 -1.638 1.00 1.16 H new ATOM 0 HH12 ARG A 89 2.886 -8.130 -3.401 1.00 1.16 H new ATOM 0 HH21 ARG A 89 6.077 -6.643 -3.536 1.00 1.03 H new ATOM 0 HH22 ARG A 89 4.740 -7.326 -4.467 1.00 1.03 H new ATOM 1155 N LEU A 90 7.409 -4.109 3.704 1.00 0.40 N ATOM 1156 CA LEU A 90 8.470 -3.139 3.942 1.00 0.41 C ATOM 1157 C LEU A 90 9.249 -3.474 5.211 1.00 0.44 C ATOM 1158 O LEU A 90 10.477 -3.559 5.190 1.00 0.49 O ATOM 1159 CB LEU A 90 7.880 -1.730 4.049 1.00 0.39 C ATOM 1160 CG LEU A 90 7.648 -1.018 2.716 1.00 0.38 C ATOM 1161 CD1 LEU A 90 6.552 0.026 2.857 1.00 0.38 C ATOM 1162 CD2 LEU A 90 8.937 -0.377 2.227 1.00 0.45 C ATOM 0 H LEU A 90 6.469 -3.750 3.873 1.00 0.40 H new ATOM 0 HA LEU A 90 9.159 -3.179 3.099 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.930 -1.791 4.580 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.547 -1.119 4.657 1.00 0.39 H new ATOM 0 HG LEU A 90 7.329 -1.755 1.979 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.399 0.524 1.900 1.00 0.38 H new ATOM 0 HD12 LEU A 90 5.626 -0.458 3.167 1.00 0.38 H new ATOM 0 HD13 LEU A 90 6.845 0.762 3.606 1.00 0.38 H new ATOM 0 HD21 LEU A 90 8.756 0.126 1.277 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.284 0.350 2.962 1.00 0.45 H new ATOM 0 HD23 LEU A 90 9.697 -1.146 2.091 1.00 0.45 H new ATOM 1174 N GLU A 91 8.532 -3.677 6.311 1.00 0.45 N ATOM 1175 CA GLU A 91 9.169 -3.930 7.598 1.00 0.50 C ATOM 1176 C GLU A 91 9.757 -5.342 7.658 1.00 0.54 C ATOM 1177 O GLU A 91 10.633 -5.627 8.477 1.00 0.64 O ATOM 1178 CB GLU A 91 8.170 -3.717 8.746 1.00 0.53 C ATOM 1179 CG GLU A 91 7.085 -4.785 8.839 1.00 0.76 C ATOM 1180 CD GLU A 91 5.879 -4.336 9.646 1.00 0.94 C ATOM 1181 OE1 GLU A 91 5.967 -3.302 10.348 1.00 1.23 O ATOM 1182 OE2 GLU A 91 4.832 -5.015 9.588 1.00 1.39 O ATOM 0 H GLU A 91 7.512 -3.671 6.337 1.00 0.45 H new ATOM 0 HA GLU A 91 9.988 -3.219 7.710 1.00 0.50 H new ATOM 0 HB2 GLU A 91 8.717 -3.689 9.688 1.00 0.53 H new ATOM 0 HB3 GLU A 91 7.696 -2.743 8.624 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.762 -5.056 7.834 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.505 -5.683 9.292 1.00 0.76 H new ATOM 1189 N ASN A 92 9.276 -6.219 6.784 1.00 0.51 N ATOM 1190 CA ASN A 92 9.742 -7.601 6.755 1.00 0.57 C ATOM 1191 C ASN A 92 10.855 -7.791 5.729 1.00 0.60 C ATOM 1192 O ASN A 92 11.365 -8.900 5.561 1.00 0.68 O ATOM 1193 CB ASN A 92 8.582 -8.547 6.443 1.00 0.60 C ATOM 1194 CG ASN A 92 8.781 -9.928 7.033 1.00 0.69 C ATOM 1195 OD1 ASN A 92 9.047 -10.075 8.226 1.00 1.00 O ATOM 1196 ND2 ASN A 92 8.646 -10.950 6.206 1.00 1.30 N ATOM 0 H ASN A 92 8.565 -5.998 6.087 1.00 0.51 H new ATOM 0 HA ASN A 92 10.143 -7.836 7.741 1.00 0.57 H new ATOM 0 HB2 ASN A 92 7.656 -8.121 6.830 1.00 0.60 H new ATOM 0 HB3 ASN A 92 8.467 -8.631 5.362 1.00 0.60 H new ATOM 0 HD21 ASN A 92 8.763 -11.903 6.550 1.00 1.30 H new ATOM 0 HD22 ASN A 92 8.425 -10.786 5.224 1.00 1.30 H new ATOM 1203 N ASN A 93 11.231 -6.704 5.053 1.00 0.58 N ATOM 1204 CA ASN A 93 12.285 -6.739 4.033 1.00 0.62 C ATOM 1205 C ASN A 93 11.959 -7.767 2.947 1.00 0.66 C ATOM 1206 O ASN A 93 12.635 -8.789 2.806 1.00 0.77 O ATOM 1207 CB ASN A 93 13.652 -7.043 4.673 1.00 0.70 C ATOM 1208 CG ASN A 93 14.809 -6.943 3.689 1.00 0.87 C ATOM 1209 OD1 ASN A 93 15.352 -7.955 3.244 1.00 1.75 O ATOM 1210 ND2 ASN A 93 15.211 -5.725 3.362 1.00 1.22 N ATOM 0 H ASN A 93 10.819 -5.782 5.194 1.00 0.58 H new ATOM 0 HA ASN A 93 12.336 -5.755 3.566 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.823 -6.350 5.497 1.00 0.70 H new ATOM 0 HB3 ASN A 93 13.632 -8.046 5.099 1.00 0.70 H new ATOM 0 HD21 ASN A 93 15.995 -5.602 2.721 1.00 1.22 H new ATOM 0 HD22 ASN A 93 14.737 -4.910 3.751 1.00 1.22 H new ATOM 1217 N TYR A 94 10.895 -7.508 2.198 1.00 0.61 N ATOM 1218 CA TYR A 94 10.510 -8.399 1.121 1.00 0.67 C ATOM 1219 C TYR A 94 11.349 -8.154 -0.131 1.00 0.70 C ATOM 1220 O TYR A 94 11.856 -9.097 -0.740 1.00 0.79 O ATOM 1221 CB TYR A 94 9.030 -8.247 0.785 1.00 0.71 C ATOM 1222 CG TYR A 94 8.632 -9.075 -0.408 1.00 0.71 C ATOM 1223 CD1 TYR A 94 8.921 -10.424 -0.468 1.00 0.77 C ATOM 1224 CD2 TYR A 94 7.930 -8.504 -1.457 1.00 0.74 C ATOM 1225 CE1 TYR A 94 8.528 -11.190 -1.549 1.00 0.83 C ATOM 1226 CE2 TYR A 94 7.525 -9.254 -2.536 1.00 0.81 C ATOM 1227 CZ TYR A 94 7.971 -10.599 -2.631 1.00 0.85 C ATOM 1228 OH TYR A 94 7.414 -11.365 -3.652 1.00 0.96 O ATOM 0 H TYR A 94 10.291 -6.695 2.318 1.00 0.61 H new ATOM 0 HA TYR A 94 10.691 -9.417 1.467 1.00 0.67 H new ATOM 0 HB2 TYR A 94 8.431 -8.542 1.647 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.809 -7.198 0.588 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.463 -10.888 0.343 1.00 0.77 H new ATOM 0 HD2 TYR A 94 7.696 -7.450 -1.427 1.00 0.74 H new ATOM 0 HE1 TYR A 94 8.666 -12.261 -1.530 1.00 0.83 H new ATOM 0 HE2 TYR A 94 6.883 -8.830 -3.294 1.00 0.81 H new ATOM 0 HH TYR A 94 7.761 -12.280 -3.601 1.00 0.96 H new ATOM 1238 N TYR A 95 11.491 -6.894 -0.513 1.00 0.77 N ATOM 1239 CA TYR A 95 12.167 -6.558 -1.760 1.00 0.88 C ATOM 1240 C TYR A 95 13.547 -5.977 -1.515 1.00 0.75 C ATOM 1241 O TYR A 95 14.030 -5.913 -0.384 1.00 1.04 O ATOM 1242 CB TYR A 95 11.354 -5.562 -2.600 1.00 1.17 C ATOM 1243 CG TYR A 95 10.070 -5.074 -1.969 1.00 0.95 C ATOM 1244 CD1 TYR A 95 10.079 -4.226 -0.869 1.00 1.05 C ATOM 1245 CD2 TYR A 95 8.844 -5.455 -2.491 1.00 0.92 C ATOM 1246 CE1 TYR A 95 8.901 -3.779 -0.307 1.00 1.09 C ATOM 1247 CE2 TYR A 95 7.662 -5.012 -1.936 1.00 0.96 C ATOM 1248 CZ TYR A 95 7.694 -4.174 -0.844 1.00 1.04 C ATOM 1249 OH TYR A 95 6.517 -3.741 -0.277 1.00 1.28 O ATOM 0 H TYR A 95 11.151 -6.092 0.017 1.00 0.77 H new ATOM 0 HA TYR A 95 12.265 -7.494 -2.309 1.00 0.88 H new ATOM 0 HB2 TYR A 95 11.983 -4.698 -2.817 1.00 1.17 H new ATOM 0 HB3 TYR A 95 11.114 -6.030 -3.555 1.00 1.17 H new ATOM 0 HD1 TYR A 95 11.022 -3.912 -0.447 1.00 1.05 H new ATOM 0 HD2 TYR A 95 8.814 -6.111 -3.348 1.00 0.92 H new ATOM 0 HE1 TYR A 95 8.924 -3.122 0.550 1.00 1.09 H new ATOM 0 HE2 TYR A 95 6.716 -5.321 -2.356 1.00 0.96 H new ATOM 0 HH TYR A 95 6.483 -2.762 -0.301 1.00 1.28 H new ATOM 1259 N TRP A 96 14.153 -5.539 -2.603 1.00 0.72 N ATOM 1260 CA TRP A 96 15.478 -4.953 -2.584 1.00 0.65 C ATOM 1261 C TRP A 96 15.395 -3.482 -2.209 1.00 0.61 C ATOM 1262 O TRP A 96 16.157 -2.986 -1.381 1.00 0.64 O ATOM 1263 CB TRP A 96 16.115 -5.100 -3.970 1.00 0.68 C ATOM 1264 CG TRP A 96 17.595 -4.875 -3.995 1.00 0.72 C ATOM 1265 CD1 TRP A 96 18.268 -3.782 -3.536 1.00 0.70 C ATOM 1266 CD2 TRP A 96 18.580 -5.761 -4.525 1.00 0.82 C ATOM 1267 NE1 TRP A 96 19.616 -3.947 -3.729 1.00 0.79 N ATOM 1268 CE2 TRP A 96 19.833 -5.152 -4.343 1.00 0.86 C ATOM 1269 CE3 TRP A 96 18.523 -7.015 -5.133 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 21.021 -5.757 -4.747 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 19.701 -7.616 -5.535 1.00 1.03 C ATOM 1272 CH2 TRP A 96 20.936 -6.985 -5.342 1.00 1.05 C ATOM 0 H TRP A 96 13.735 -5.581 -3.532 1.00 0.72 H new ATOM 0 HA TRP A 96 16.089 -5.469 -1.843 1.00 0.65 H new ATOM 0 HB2 TRP A 96 15.905 -6.100 -4.349 1.00 0.68 H new ATOM 0 HB3 TRP A 96 15.640 -4.394 -4.652 1.00 0.68 H new ATOM 0 HD1 TRP A 96 17.808 -2.914 -3.087 1.00 0.70 H new ATOM 0 HE1 TRP A 96 20.339 -3.280 -3.459 1.00 0.79 H new ATOM 0 HE3 TRP A 96 17.575 -7.508 -5.287 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 21.975 -5.273 -4.596 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 19.668 -8.588 -6.005 1.00 1.03 H new ATOM 0 HH2 TRP A 96 21.839 -7.478 -5.670 1.00 1.05 H new ATOM 1283 N SER A 97 14.452 -2.792 -2.823 1.00 0.60 N ATOM 1284 CA SER A 97 14.337 -1.360 -2.667 1.00 0.56 C ATOM 1285 C SER A 97 12.876 -0.936 -2.798 1.00 0.54 C ATOM 1286 O SER A 97 12.011 -1.754 -3.129 1.00 0.55 O ATOM 1287 CB SER A 97 15.219 -0.676 -3.717 1.00 0.58 C ATOM 1288 OG SER A 97 15.174 0.739 -3.625 1.00 1.00 O ATOM 0 H SER A 97 13.752 -3.207 -3.438 1.00 0.60 H new ATOM 0 HA SER A 97 14.677 -1.059 -1.676 1.00 0.56 H new ATOM 0 HB2 SER A 97 16.249 -1.012 -3.597 1.00 0.58 H new ATOM 0 HB3 SER A 97 14.898 -0.983 -4.712 1.00 0.58 H new ATOM 0 HG SER A 97 15.384 1.130 -4.499 1.00 1.00 H new ATOM 1294 N ALA A 98 12.606 0.343 -2.546 1.00 0.54 N ATOM 1295 CA ALA A 98 11.245 0.868 -2.563 1.00 0.56 C ATOM 1296 C ALA A 98 10.694 0.927 -3.980 1.00 0.52 C ATOM 1297 O ALA A 98 9.505 1.175 -4.184 1.00 0.53 O ATOM 1298 CB ALA A 98 11.204 2.247 -1.924 1.00 0.66 C ATOM 0 H ALA A 98 13.319 1.039 -2.326 1.00 0.54 H new ATOM 0 HA ALA A 98 10.616 0.190 -1.985 1.00 0.56 H new ATOM 0 HB1 ALA A 98 10.182 2.627 -1.943 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.547 2.180 -0.891 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.854 2.924 -2.478 1.00 0.66 H new ATOM 1304 N SER A 99 11.564 0.676 -4.947 1.00 0.52 N ATOM 1305 CA SER A 99 11.194 0.681 -6.349 1.00 0.54 C ATOM 1306 C SER A 99 10.094 -0.339 -6.628 1.00 0.48 C ATOM 1307 O SER A 99 9.182 -0.089 -7.415 1.00 0.50 O ATOM 1308 CB SER A 99 12.432 0.371 -7.184 1.00 0.62 C ATOM 1309 OG SER A 99 13.503 -0.031 -6.343 1.00 0.85 O ATOM 0 H SER A 99 12.547 0.463 -4.778 1.00 0.52 H new ATOM 0 HA SER A 99 10.805 1.664 -6.615 1.00 0.54 H new ATOM 0 HB2 SER A 99 12.207 -0.418 -7.901 1.00 0.62 H new ATOM 0 HB3 SER A 99 12.722 1.251 -7.759 1.00 0.62 H new ATOM 0 HG SER A 99 14.192 0.666 -6.335 1.00 0.85 H new ATOM 1315 N GLU A 100 10.172 -1.479 -5.954 1.00 0.46 N ATOM 1316 CA GLU A 100 9.202 -2.541 -6.149 1.00 0.48 C ATOM 1317 C GLU A 100 7.938 -2.271 -5.343 1.00 0.44 C ATOM 1318 O GLU A 100 6.843 -2.632 -5.760 1.00 0.52 O ATOM 1319 CB GLU A 100 9.800 -3.891 -5.757 1.00 0.56 C ATOM 1320 CG GLU A 100 9.185 -5.060 -6.511 1.00 1.03 C ATOM 1321 CD GLU A 100 9.202 -6.346 -5.716 1.00 1.83 C ATOM 1322 OE1 GLU A 100 10.305 -6.825 -5.366 1.00 2.44 O ATOM 1323 OE2 GLU A 100 8.112 -6.882 -5.434 1.00 2.37 O ATOM 0 H GLU A 100 10.898 -1.689 -5.269 1.00 0.46 H new ATOM 0 HA GLU A 100 8.938 -2.570 -7.206 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.874 -3.873 -5.941 1.00 0.56 H new ATOM 0 HB3 GLU A 100 9.663 -4.045 -4.687 1.00 0.56 H new ATOM 0 HG2 GLU A 100 8.156 -4.815 -6.775 1.00 1.03 H new ATOM 0 HG3 GLU A 100 9.727 -5.209 -7.445 1.00 1.03 H new ATOM 1330 N CYS A 101 8.095 -1.599 -4.207 1.00 0.41 N ATOM 1331 CA CYS A 101 6.965 -1.309 -3.327 1.00 0.44 C ATOM 1332 C CYS A 101 5.974 -0.372 -4.008 1.00 0.38 C ATOM 1333 O CYS A 101 4.792 -0.331 -3.661 1.00 0.38 O ATOM 1334 CB CYS A 101 7.455 -0.695 -2.018 1.00 0.57 C ATOM 1335 SG CYS A 101 6.208 -0.659 -0.712 1.00 0.95 S ATOM 0 H CYS A 101 8.991 -1.245 -3.873 1.00 0.41 H new ATOM 0 HA CYS A 101 6.456 -2.247 -3.107 1.00 0.44 H new ATOM 0 HB2 CYS A 101 8.319 -1.258 -1.666 1.00 0.57 H new ATOM 0 HB3 CYS A 101 7.794 0.323 -2.211 1.00 0.57 H new ATOM 0 HG CYS A 101 5.266 -1.511 -0.988 1.00 0.95 H new ATOM 1341 N MET A 102 6.457 0.373 -4.992 1.00 0.39 N ATOM 1342 CA MET A 102 5.601 1.254 -5.771 1.00 0.44 C ATOM 1343 C MET A 102 4.528 0.444 -6.493 1.00 0.36 C ATOM 1344 O MET A 102 3.459 0.962 -6.812 1.00 0.39 O ATOM 1345 CB MET A 102 6.430 2.050 -6.780 1.00 0.58 C ATOM 1346 CG MET A 102 6.175 3.548 -6.733 1.00 0.75 C ATOM 1347 SD MET A 102 7.616 4.481 -6.172 1.00 1.02 S ATOM 1348 CE MET A 102 7.151 4.837 -4.478 1.00 1.13 C ATOM 0 H MET A 102 7.438 0.384 -5.270 1.00 0.39 H new ATOM 0 HA MET A 102 5.115 1.954 -5.092 1.00 0.44 H new ATOM 0 HB2 MET A 102 7.488 1.864 -6.595 1.00 0.58 H new ATOM 0 HB3 MET A 102 6.213 1.685 -7.784 1.00 0.58 H new ATOM 0 HG2 MET A 102 5.886 3.895 -7.725 1.00 0.75 H new ATOM 0 HG3 MET A 102 5.335 3.749 -6.068 1.00 0.75 H new ATOM 0 HE1 MET A 102 7.629 5.762 -4.156 1.00 1.13 H new ATOM 0 HE2 MET A 102 6.068 4.947 -4.413 1.00 1.13 H new ATOM 0 HE3 MET A 102 7.472 4.019 -3.833 1.00 1.13 H new ATOM 1358 N GLN A 103 4.813 -0.834 -6.722 1.00 0.34 N ATOM 1359 CA GLN A 103 3.872 -1.727 -7.386 1.00 0.36 C ATOM 1360 C GLN A 103 2.709 -2.057 -6.461 1.00 0.30 C ATOM 1361 O GLN A 103 1.546 -1.887 -6.828 1.00 0.31 O ATOM 1362 CB GLN A 103 4.595 -3.004 -7.857 1.00 0.43 C ATOM 1363 CG GLN A 103 3.919 -4.313 -7.455 1.00 1.36 C ATOM 1364 CD GLN A 103 4.911 -5.436 -7.209 1.00 2.17 C ATOM 1365 OE1 GLN A 103 4.982 -6.394 -7.980 1.00 2.70 O ATOM 1366 NE2 GLN A 103 5.666 -5.341 -6.124 1.00 2.96 N ATOM 0 H GLN A 103 5.693 -1.275 -6.456 1.00 0.34 H new ATOM 0 HA GLN A 103 3.465 -1.226 -8.264 1.00 0.36 H new ATOM 0 HB2 GLN A 103 4.681 -2.975 -8.943 1.00 0.43 H new ATOM 0 HB3 GLN A 103 5.609 -2.998 -7.457 1.00 0.43 H new ATOM 0 HG2 GLN A 103 3.330 -4.150 -6.552 1.00 1.36 H new ATOM 0 HG3 GLN A 103 3.224 -4.613 -8.239 1.00 1.36 H new ATOM 0 HE21 GLN A 103 5.577 -4.531 -5.510 1.00 2.96 H new ATOM 0 HE22 GLN A 103 6.336 -6.078 -5.903 1.00 2.96 H new ATOM 1375 N ASP A 104 3.027 -2.492 -5.253 1.00 0.30 N ATOM 1376 CA ASP A 104 2.010 -2.891 -4.297 1.00 0.32 C ATOM 1377 C ASP A 104 1.246 -1.675 -3.794 1.00 0.29 C ATOM 1378 O ASP A 104 0.031 -1.737 -3.582 1.00 0.31 O ATOM 1379 CB ASP A 104 2.625 -3.679 -3.131 1.00 0.48 C ATOM 1380 CG ASP A 104 4.114 -3.429 -2.934 1.00 0.88 C ATOM 1381 OD1 ASP A 104 4.906 -3.784 -3.838 1.00 1.09 O ATOM 1382 OD2 ASP A 104 4.502 -2.893 -1.875 1.00 1.87 O ATOM 0 H ASP A 104 3.984 -2.578 -4.911 1.00 0.30 H new ATOM 0 HA ASP A 104 1.306 -3.551 -4.804 1.00 0.32 H new ATOM 0 HB2 ASP A 104 2.099 -3.420 -2.212 1.00 0.48 H new ATOM 0 HB3 ASP A 104 2.465 -4.744 -3.300 1.00 0.48 H new ATOM 1387 N PHE A 105 1.960 -0.567 -3.630 1.00 0.30 N ATOM 1388 CA PHE A 105 1.343 0.703 -3.260 1.00 0.33 C ATOM 1389 C PHE A 105 0.335 1.135 -4.319 1.00 0.32 C ATOM 1390 O PHE A 105 -0.816 1.443 -4.009 1.00 0.38 O ATOM 1391 CB PHE A 105 2.408 1.788 -3.108 1.00 0.38 C ATOM 1392 CG PHE A 105 2.433 2.432 -1.754 1.00 0.32 C ATOM 1393 CD1 PHE A 105 1.349 3.162 -1.293 1.00 0.36 C ATOM 1394 CD2 PHE A 105 3.549 2.314 -0.945 1.00 0.32 C ATOM 1395 CE1 PHE A 105 1.379 3.759 -0.049 1.00 0.35 C ATOM 1396 CE2 PHE A 105 3.586 2.909 0.299 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.497 3.633 0.748 1.00 0.33 C ATOM 0 H PHE A 105 2.972 -0.522 -3.748 1.00 0.30 H new ATOM 0 HA PHE A 105 0.829 0.565 -2.309 1.00 0.33 H new ATOM 0 HB2 PHE A 105 3.387 1.353 -3.310 1.00 0.38 H new ATOM 0 HB3 PHE A 105 2.239 2.557 -3.862 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.471 3.265 -1.914 1.00 0.36 H new ATOM 0 HD2 PHE A 105 4.402 1.749 -1.292 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.527 4.324 0.300 1.00 0.35 H new ATOM 0 HE2 PHE A 105 4.463 2.810 0.921 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.522 4.099 1.722 1.00 0.33 H new ATOM 1407 N ASN A 106 0.779 1.147 -5.573 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.077 1.536 -6.688 1.00 0.34 C ATOM 1409 C ASN A 106 -1.299 0.634 -6.770 1.00 0.32 C ATOM 1410 O ASN A 106 -2.411 1.105 -7.000 1.00 0.38 O ATOM 1411 CB ASN A 106 0.692 1.479 -8.006 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.035 2.196 -9.125 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -0.708 3.202 -8.905 1.00 0.88 O ATOM 1414 ND2 ASN A 106 0.089 1.675 -10.331 1.00 0.97 N ATOM 0 H ASN A 106 1.729 0.891 -5.842 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.405 2.561 -6.514 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.677 1.926 -7.870 1.00 0.36 H new ATOM 0 HB3 ASN A 106 0.851 0.438 -8.287 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -0.383 2.108 -11.125 1.00 0.97 H new ATOM 0 HD22 ASN A 106 0.657 0.839 -10.470 1.00 0.97 H new ATOM 1421 N THR A 107 -1.080 -0.661 -6.559 1.00 0.29 N ATOM 1422 CA THR A 107 -2.156 -1.642 -6.596 1.00 0.30 C ATOM 1423 C THR A 107 -3.260 -1.278 -5.608 1.00 0.26 C ATOM 1424 O THR A 107 -4.436 -1.259 -5.969 1.00 0.27 O ATOM 1425 CB THR A 107 -1.632 -3.056 -6.283 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.588 -3.403 -7.205 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.750 -4.082 -6.367 1.00 0.39 C ATOM 0 H THR A 107 -0.161 -1.055 -6.360 1.00 0.29 H new ATOM 0 HA THR A 107 -2.566 -1.635 -7.606 1.00 0.30 H new ATOM 0 HB THR A 107 -1.239 -3.057 -5.266 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.271 -3.078 -6.864 1.00 0.43 H new ATOM 0 HG21 THR A 107 -2.353 -5.072 -6.142 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.529 -3.831 -5.647 1.00 0.39 H new ATOM 0 HG23 THR A 107 -3.171 -4.080 -7.373 1.00 0.39 H new ATOM 1435 N MET A 108 -2.867 -0.971 -4.376 1.00 0.26 N ATOM 1436 CA MET A 108 -3.806 -0.568 -3.333 1.00 0.26 C ATOM 1437 C MET A 108 -4.720 0.565 -3.808 1.00 0.24 C ATOM 1438 O MET A 108 -5.930 0.546 -3.566 1.00 0.27 O ATOM 1439 CB MET A 108 -3.031 -0.135 -2.082 1.00 0.32 C ATOM 1440 CG MET A 108 -3.715 0.954 -1.267 1.00 0.62 C ATOM 1441 SD MET A 108 -2.572 2.238 -0.722 1.00 0.88 S ATOM 1442 CE MET A 108 -3.694 3.344 0.129 1.00 0.83 C ATOM 0 H MET A 108 -1.893 -0.994 -4.073 1.00 0.26 H new ATOM 0 HA MET A 108 -4.438 -1.423 -3.093 1.00 0.26 H new ATOM 0 HB2 MET A 108 -2.876 -1.006 -1.445 1.00 0.32 H new ATOM 0 HB3 MET A 108 -2.045 0.218 -2.384 1.00 0.32 H new ATOM 0 HG2 MET A 108 -4.506 1.407 -1.865 1.00 0.62 H new ATOM 0 HG3 MET A 108 -4.192 0.505 -0.396 1.00 0.62 H new ATOM 0 HE1 MET A 108 -3.304 4.361 0.088 1.00 0.83 H new ATOM 0 HE2 MET A 108 -4.672 3.311 -0.352 1.00 0.83 H new ATOM 0 HE3 MET A 108 -3.791 3.034 1.170 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.142 1.541 -4.495 1.00 0.22 N ATOM 1453 CA PHE A 109 -4.896 2.702 -4.939 1.00 0.23 C ATOM 1454 C PHE A 109 -5.838 2.342 -6.084 1.00 0.23 C ATOM 1455 O PHE A 109 -7.009 2.730 -6.075 1.00 0.29 O ATOM 1456 CB PHE A 109 -3.949 3.827 -5.353 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.572 4.721 -4.206 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.546 5.364 -3.457 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.241 4.922 -3.879 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.197 6.191 -2.406 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -1.886 5.748 -2.830 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.886 6.369 -2.075 1.00 0.22 C ATOM 0 H PHE A 109 -3.156 1.551 -4.756 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.504 3.050 -4.104 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.046 3.395 -5.784 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.420 4.424 -6.134 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.589 5.217 -3.698 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.471 4.427 -4.452 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -4.967 6.699 -1.844 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.845 5.913 -2.595 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.621 6.989 -1.231 1.00 0.22 H new ATOM 1472 N THR A 110 -5.334 1.586 -7.056 1.00 0.22 N ATOM 1473 CA THR A 110 -6.149 1.152 -8.182 1.00 0.26 C ATOM 1474 C THR A 110 -7.291 0.267 -7.705 1.00 0.25 C ATOM 1475 O THR A 110 -8.403 0.330 -8.224 1.00 0.27 O ATOM 1476 CB THR A 110 -5.312 0.382 -9.222 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.263 -0.346 -8.572 1.00 0.49 O ATOM 1478 CG2 THR A 110 -4.708 1.339 -10.232 1.00 0.66 C ATOM 0 H THR A 110 -4.367 1.263 -7.085 1.00 0.22 H new ATOM 0 HA THR A 110 -6.552 2.048 -8.653 1.00 0.26 H new ATOM 0 HB THR A 110 -5.970 -0.315 -9.740 1.00 0.31 H new ATOM 0 HG1 THR A 110 -4.572 -0.650 -7.693 1.00 0.49 H new ATOM 0 HG21 THR A 110 -4.120 0.778 -10.959 1.00 0.66 H new ATOM 0 HG22 THR A 110 -5.505 1.876 -10.747 1.00 0.66 H new ATOM 0 HG23 THR A 110 -4.064 2.052 -9.718 1.00 0.66 H new ATOM 1486 N ASN A 111 -7.000 -0.537 -6.691 1.00 0.24 N ATOM 1487 CA ASN A 111 -7.972 -1.456 -6.110 1.00 0.27 C ATOM 1488 C ASN A 111 -9.249 -0.725 -5.717 1.00 0.26 C ATOM 1489 O ASN A 111 -10.349 -1.118 -6.110 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.380 -2.138 -4.878 1.00 0.33 C ATOM 1491 CG ASN A 111 -6.560 -3.364 -5.225 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -6.323 -3.657 -6.395 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -6.111 -4.086 -4.207 1.00 1.61 N ATOM 0 H ASN A 111 -6.082 -0.571 -6.247 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.216 -2.206 -6.863 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.753 -1.427 -4.340 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -8.187 -2.425 -4.204 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -5.547 -4.918 -4.381 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -6.330 -3.809 -3.250 1.00 1.61 H new ATOM 1500 N CYS A 112 -9.089 0.349 -4.955 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.216 1.154 -4.512 1.00 0.30 C ATOM 1502 C CYS A 112 -10.985 1.734 -5.696 1.00 0.31 C ATOM 1503 O CYS A 112 -12.215 1.755 -5.696 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.719 2.281 -3.607 1.00 0.36 C ATOM 1505 SG CYS A 112 -11.031 3.282 -2.876 1.00 0.63 S ATOM 0 H CYS A 112 -8.182 0.683 -4.630 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.897 0.511 -3.955 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -9.118 1.850 -2.806 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -9.061 2.931 -4.184 1.00 0.36 H new ATOM 0 HG CYS A 112 -10.513 4.338 -2.321 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.258 2.184 -6.710 1.00 0.32 N ATOM 1512 CA TYR A 113 -10.875 2.837 -7.860 1.00 0.36 C ATOM 1513 C TYR A 113 -11.644 1.839 -8.726 1.00 0.41 C ATOM 1514 O TYR A 113 -12.590 2.212 -9.421 1.00 0.52 O ATOM 1515 CB TYR A 113 -9.813 3.547 -8.708 1.00 0.36 C ATOM 1516 CG TYR A 113 -9.145 4.724 -8.021 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -9.856 5.565 -7.172 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -7.798 4.994 -8.233 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -9.241 6.642 -6.555 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -7.178 6.066 -7.619 1.00 0.65 C ATOM 1521 CZ TYR A 113 -7.901 6.887 -6.782 1.00 0.66 C ATOM 1522 OH TYR A 113 -7.282 7.959 -6.176 1.00 0.81 O ATOM 0 H TYR A 113 -9.242 2.110 -6.761 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.582 3.573 -7.477 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -9.047 2.824 -8.989 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.276 3.896 -9.631 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -10.904 5.376 -6.991 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.226 4.355 -8.889 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -9.807 7.287 -5.899 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -6.130 6.259 -7.795 1.00 0.65 H new ATOM 0 HH TYR A 113 -6.411 8.115 -6.597 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.234 0.577 -8.695 1.00 0.37 N ATOM 1533 CA ILE A 114 -11.867 -0.445 -9.518 1.00 0.43 C ATOM 1534 C ILE A 114 -12.988 -1.158 -8.769 1.00 0.47 C ATOM 1535 O ILE A 114 -14.120 -1.230 -9.246 1.00 0.55 O ATOM 1536 CB ILE A 114 -10.841 -1.493 -10.000 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -9.747 -0.826 -10.841 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -11.529 -2.595 -10.800 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.484 -1.652 -10.957 1.00 0.44 C ATOM 0 H ILE A 114 -10.469 0.238 -8.111 1.00 0.37 H new ATOM 0 HA ILE A 114 -12.289 0.071 -10.380 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.378 -1.945 -9.123 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -10.137 -0.631 -11.840 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.500 0.140 -10.401 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -10.787 -3.322 -11.130 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.270 -3.091 -10.173 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -12.022 -2.160 -11.669 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -7.755 -1.118 -11.566 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -8.070 -1.826 -9.964 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -8.716 -2.608 -11.425 1.00 0.44 H new ATOM 1551 N TYR A 115 -12.669 -1.680 -7.592 1.00 0.44 N ATOM 1552 CA TYR A 115 -13.613 -2.493 -6.841 1.00 0.51 C ATOM 1553 C TYR A 115 -14.748 -1.646 -6.275 1.00 0.52 C ATOM 1554 O TYR A 115 -15.897 -2.093 -6.220 1.00 0.78 O ATOM 1555 CB TYR A 115 -12.897 -3.233 -5.706 1.00 0.54 C ATOM 1556 CG TYR A 115 -13.781 -4.228 -4.985 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -13.995 -5.499 -5.504 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -14.414 -3.892 -3.792 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -14.807 -6.406 -4.852 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -15.225 -4.796 -3.135 1.00 1.03 C ATOM 1561 CZ TYR A 115 -15.419 -6.050 -3.670 1.00 1.04 C ATOM 1562 OH TYR A 115 -16.231 -6.952 -3.023 1.00 1.22 O ATOM 0 H TYR A 115 -11.764 -1.554 -7.138 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.042 -3.222 -7.528 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.031 -3.755 -6.112 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -12.521 -2.505 -4.987 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -13.519 -5.782 -6.431 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -14.268 -2.907 -3.373 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -14.962 -7.391 -5.267 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -15.704 -4.521 -2.207 1.00 1.03 H new ATOM 0 HH TYR A 115 -16.584 -6.546 -2.204 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.430 -0.425 -5.878 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.406 0.434 -5.212 1.00 0.41 C ATOM 1574 C ASN A 116 -15.970 1.459 -6.182 1.00 0.45 C ATOM 1575 O ASN A 116 -15.436 1.658 -7.274 1.00 0.64 O ATOM 1576 CB ASN A 116 -14.776 1.147 -4.011 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.045 0.200 -3.080 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -14.535 -0.884 -2.769 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -12.868 0.604 -2.628 1.00 0.88 N ATOM 0 H ASN A 116 -13.509 -0.004 -6.003 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.219 -0.199 -4.856 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -14.080 1.906 -4.369 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -15.555 1.667 -3.454 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -12.332 0.008 -1.997 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -12.497 1.511 -2.911 1.00 0.88 H new ATOM 1586 N LYS A 117 -17.060 2.099 -5.781 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.689 3.130 -6.597 1.00 0.53 C ATOM 1588 C LYS A 117 -16.921 4.440 -6.473 1.00 0.52 C ATOM 1589 O LYS A 117 -16.471 4.792 -5.386 1.00 0.55 O ATOM 1590 CB LYS A 117 -19.145 3.336 -6.167 1.00 0.65 C ATOM 1591 CG LYS A 117 -20.095 2.272 -6.697 1.00 1.20 C ATOM 1592 CD LYS A 117 -20.646 2.649 -8.066 1.00 1.82 C ATOM 1593 CE LYS A 117 -20.265 1.621 -9.120 1.00 2.62 C ATOM 1594 NZ LYS A 117 -21.404 1.284 -10.012 1.00 3.47 N ATOM 0 H LYS A 117 -17.529 1.922 -4.893 1.00 0.48 H new ATOM 0 HA LYS A 117 -17.672 2.806 -7.638 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -19.195 3.346 -5.078 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -19.481 4.314 -6.510 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -19.573 1.317 -6.764 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -20.919 2.137 -5.996 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -21.731 2.732 -8.013 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -20.265 3.628 -8.356 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -19.439 2.005 -9.718 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -19.909 0.715 -8.630 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -21.099 0.580 -10.714 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -22.184 0.893 -9.446 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -21.728 2.143 -10.501 1.00 3.47 H new ATOM 1608 N PRO A 118 -16.767 5.187 -7.578 1.00 0.59 N ATOM 1609 CA PRO A 118 -16.040 6.464 -7.569 1.00 0.68 C ATOM 1610 C PRO A 118 -16.740 7.532 -6.724 1.00 0.70 C ATOM 1611 O PRO A 118 -16.191 8.605 -6.479 1.00 0.81 O ATOM 1612 CB PRO A 118 -16.009 6.874 -9.045 1.00 0.79 C ATOM 1613 CG PRO A 118 -17.114 6.119 -9.693 1.00 0.96 C ATOM 1614 CD PRO A 118 -17.265 4.840 -8.920 1.00 0.68 C ATOM 0 HA PRO A 118 -15.050 6.362 -7.125 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -16.151 7.949 -9.156 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -15.049 6.630 -9.499 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -18.040 6.694 -9.676 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -16.884 5.916 -10.739 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -18.303 4.510 -8.890 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -16.686 4.031 -9.366 1.00 0.68 H new ATOM 1622 N THR A 119 -17.953 7.231 -6.281 1.00 0.67 N ATOM 1623 CA THR A 119 -18.701 8.137 -5.425 1.00 0.77 C ATOM 1624 C THR A 119 -18.671 7.675 -3.970 1.00 0.69 C ATOM 1625 O THR A 119 -19.316 8.270 -3.106 1.00 0.78 O ATOM 1626 CB THR A 119 -20.158 8.246 -5.892 1.00 0.97 C ATOM 1627 OG1 THR A 119 -20.315 7.533 -7.128 1.00 0.98 O ATOM 1628 CG2 THR A 119 -20.557 9.703 -6.081 1.00 1.23 C ATOM 0 H THR A 119 -18.440 6.363 -6.502 1.00 0.67 H new ATOM 0 HA THR A 119 -18.225 9.115 -5.493 1.00 0.77 H new ATOM 0 HB THR A 119 -20.805 7.811 -5.131 1.00 0.97 H new ATOM 0 HG1 THR A 119 -21.246 7.599 -7.428 1.00 0.98 H new ATOM 0 HG21 THR A 119 -21.594 9.756 -6.412 1.00 1.23 H new ATOM 0 HG22 THR A 119 -20.450 10.235 -5.136 1.00 1.23 H new ATOM 0 HG23 THR A 119 -19.913 10.162 -6.831 1.00 1.23 H new ATOM 1636 N ASP A 120 -17.922 6.608 -3.704 1.00 0.59 N ATOM 1637 CA ASP A 120 -17.788 6.087 -2.353 1.00 0.59 C ATOM 1638 C ASP A 120 -16.842 6.970 -1.557 1.00 0.47 C ATOM 1639 O ASP A 120 -15.970 7.633 -2.123 1.00 0.39 O ATOM 1640 CB ASP A 120 -17.265 4.645 -2.372 1.00 0.63 C ATOM 1641 CG ASP A 120 -17.658 3.845 -1.139 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -17.526 4.369 -0.011 1.00 1.34 O ATOM 1643 OD2 ASP A 120 -18.092 2.684 -1.298 1.00 1.19 O ATOM 0 H ASP A 120 -17.399 6.089 -4.410 1.00 0.59 H new ATOM 0 HA ASP A 120 -18.771 6.088 -1.882 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -17.645 4.140 -3.260 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -16.178 4.661 -2.455 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.010 6.965 -0.252 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.199 7.795 0.628 1.00 0.51 C ATOM 1650 C ASP A 121 -14.758 7.306 0.631 1.00 0.39 C ATOM 1651 O ASP A 121 -13.828 8.102 0.728 1.00 0.39 O ATOM 1652 CB ASP A 121 -16.761 7.789 2.052 1.00 0.70 C ATOM 1653 CG ASP A 121 -16.580 9.119 2.763 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -16.994 10.161 2.212 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -16.035 9.131 3.886 1.00 1.44 O ATOM 0 H ASP A 121 -17.704 6.394 0.230 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.225 8.818 0.253 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -17.822 7.542 2.018 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -16.270 7.005 2.628 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.579 5.993 0.492 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.241 5.409 0.433 1.00 0.27 C ATOM 1662 C ILE A 122 -12.489 5.916 -0.797 1.00 0.25 C ATOM 1663 O ILE A 122 -11.283 6.161 -0.744 1.00 0.29 O ATOM 1664 CB ILE A 122 -13.279 3.858 0.423 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -11.860 3.286 0.307 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -14.156 3.337 -0.708 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -11.170 3.095 1.639 1.00 0.42 C ATOM 0 H ILE A 122 -15.339 5.317 0.419 1.00 0.34 H new ATOM 0 HA ILE A 122 -12.716 5.723 1.335 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.713 3.527 1.366 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -11.906 2.327 -0.209 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -11.259 3.953 -0.311 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -14.164 2.247 -0.690 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -15.173 3.709 -0.581 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -13.760 3.681 -1.663 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -10.172 2.688 1.477 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -11.092 4.055 2.149 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.748 2.404 2.253 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.209 6.097 -1.898 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.611 6.613 -3.116 1.00 0.25 C ATOM 1681 C VAL A 123 -12.321 8.099 -2.958 1.00 0.24 C ATOM 1682 O VAL A 123 -11.248 8.575 -3.327 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.521 6.394 -4.345 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -13.239 7.437 -5.421 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.336 4.988 -4.899 1.00 0.32 C ATOM 0 H VAL A 123 -14.206 5.893 -1.969 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.684 6.065 -3.284 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.558 6.507 -4.028 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -13.892 7.263 -6.277 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.425 8.433 -5.020 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -12.199 7.362 -5.737 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -13.984 4.850 -5.764 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -12.297 4.848 -5.198 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.594 4.258 -4.132 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.275 8.820 -2.382 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.129 10.256 -2.181 1.00 0.31 C ATOM 1697 C LEU A 124 -11.943 10.536 -1.273 1.00 0.29 C ATOM 1698 O LEU A 124 -11.286 11.574 -1.381 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.409 10.847 -1.586 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.115 11.881 -2.468 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.624 11.801 -2.284 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.606 13.281 -2.156 1.00 0.49 C ATOM 0 H LEU A 124 -14.157 8.434 -2.046 1.00 0.27 H new ATOM 0 HA LEU A 124 -12.951 10.728 -3.147 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -15.104 10.034 -1.378 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -14.167 11.312 -0.630 1.00 0.37 H new ATOM 0 HG LEU A 124 -14.889 11.659 -3.511 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.108 12.543 -2.919 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -16.972 10.806 -2.560 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -16.874 11.997 -1.241 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.118 14.004 -2.791 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -14.802 13.515 -1.110 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.533 13.328 -2.344 1.00 0.49 H new ATOM 1714 N MET A 125 -11.669 9.595 -0.386 1.00 0.25 N ATOM 1715 CA MET A 125 -10.525 9.696 0.494 1.00 0.26 C ATOM 1716 C MET A 125 -9.255 9.270 -0.229 1.00 0.24 C ATOM 1717 O MET A 125 -8.185 9.842 -0.015 1.00 0.25 O ATOM 1718 CB MET A 125 -10.732 8.842 1.747 1.00 0.35 C ATOM 1719 CG MET A 125 -11.753 9.419 2.711 1.00 0.62 C ATOM 1720 SD MET A 125 -11.976 8.401 4.182 1.00 0.54 S ATOM 1721 CE MET A 125 -12.849 9.550 5.238 1.00 0.62 C ATOM 0 H MET A 125 -12.227 8.751 -0.258 1.00 0.25 H new ATOM 0 HA MET A 125 -10.420 10.738 0.797 1.00 0.26 H new ATOM 0 HB2 MET A 125 -11.050 7.843 1.448 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.778 8.731 2.263 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.439 10.419 3.011 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.710 9.525 2.200 1.00 0.62 H new ATOM 0 HE1 MET A 125 -12.181 9.901 6.024 1.00 0.62 H new ATOM 0 HE2 MET A 125 -13.192 10.399 4.647 1.00 0.62 H new ATOM 0 HE3 MET A 125 -13.708 9.051 5.687 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.387 8.280 -1.104 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.255 7.753 -1.858 1.00 0.27 C ATOM 1733 C ALA A 126 -7.594 8.833 -2.705 1.00 0.25 C ATOM 1734 O ALA A 126 -6.374 8.851 -2.847 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.694 6.592 -2.736 1.00 0.31 C ATOM 0 H ALA A 126 -10.275 7.822 -1.310 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.519 7.395 -1.138 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.837 6.211 -3.291 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -9.103 5.798 -2.111 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.457 6.933 -3.436 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.398 9.733 -3.258 1.00 0.27 N ATOM 1742 CA GLN A 127 -7.871 10.822 -4.078 1.00 0.30 C ATOM 1743 C GLN A 127 -6.936 11.707 -3.260 1.00 0.28 C ATOM 1744 O GLN A 127 -5.841 12.047 -3.708 1.00 0.31 O ATOM 1745 CB GLN A 127 -8.999 11.672 -4.668 1.00 0.38 C ATOM 1746 CG GLN A 127 -10.181 10.869 -5.181 1.00 0.86 C ATOM 1747 CD GLN A 127 -11.380 11.747 -5.470 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -12.232 11.965 -4.610 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -11.444 12.272 -6.678 1.00 1.62 N ATOM 0 H GLN A 127 -9.413 9.733 -3.156 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.312 10.372 -4.899 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -9.350 12.368 -3.907 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -8.598 12.270 -5.486 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -9.893 10.339 -6.089 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -10.454 10.114 -4.444 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -10.717 12.066 -7.363 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -12.221 12.884 -6.928 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.371 12.060 -2.053 1.00 0.27 N ATOM 1759 CA ALA A 128 -6.564 12.873 -1.149 1.00 0.28 C ATOM 1760 C ALA A 128 -5.344 12.094 -0.672 1.00 0.24 C ATOM 1761 O ALA A 128 -4.241 12.635 -0.586 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.399 13.328 0.039 1.00 0.32 C ATOM 0 H ALA A 128 -8.282 11.794 -1.678 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.219 13.753 -1.692 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -6.784 13.933 0.705 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.243 13.920 -0.315 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -7.769 12.456 0.579 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.558 10.822 -0.366 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.485 9.926 0.056 1.00 0.17 C ATOM 1770 C LEU A 129 -3.412 9.843 -1.025 1.00 0.17 C ATOM 1771 O LEU A 129 -2.217 9.941 -0.749 1.00 0.19 O ATOM 1772 CB LEU A 129 -5.051 8.526 0.321 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.466 8.219 1.764 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.128 9.421 2.410 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -6.406 7.024 1.787 1.00 0.33 C ATOM 0 H LEU A 129 -6.477 10.381 -0.402 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.041 10.319 0.971 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.919 8.382 -0.322 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.304 7.793 0.017 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.569 7.982 2.337 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.412 9.174 3.433 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -5.431 10.259 2.419 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.018 9.695 1.843 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.698 6.810 2.815 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -7.295 7.249 1.197 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -5.900 6.155 1.365 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.855 9.671 -2.261 1.00 0.19 N ATOM 1788 CA GLU A 130 -2.956 9.567 -3.399 1.00 0.22 C ATOM 1789 C GLU A 130 -2.226 10.882 -3.642 1.00 0.20 C ATOM 1790 O GLU A 130 -1.088 10.891 -4.111 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.744 9.173 -4.648 1.00 0.34 C ATOM 1792 CG GLU A 130 -2.986 8.259 -5.596 1.00 0.76 C ATOM 1793 CD GLU A 130 -3.786 7.917 -6.838 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -4.712 8.686 -7.190 1.00 1.27 O ATOM 1795 OE2 GLU A 130 -3.492 6.885 -7.472 1.00 1.47 O ATOM 0 H GLU A 130 -4.843 9.600 -2.502 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.214 8.800 -3.179 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.666 8.678 -4.342 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -4.031 10.078 -5.184 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -2.053 8.739 -5.890 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -2.721 7.340 -5.074 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.877 11.987 -3.297 1.00 0.24 N ATOM 1803 CA LYS A 131 -2.325 13.311 -3.531 1.00 0.28 C ATOM 1804 C LYS A 131 -1.061 13.506 -2.714 1.00 0.25 C ATOM 1805 O LYS A 131 -0.064 14.024 -3.217 1.00 0.28 O ATOM 1806 CB LYS A 131 -3.349 14.392 -3.183 1.00 0.37 C ATOM 1807 CG LYS A 131 -3.914 15.106 -4.400 1.00 0.80 C ATOM 1808 CD LYS A 131 -5.369 15.503 -4.190 1.00 1.18 C ATOM 1809 CE LYS A 131 -5.611 16.961 -4.548 1.00 1.56 C ATOM 1810 NZ LYS A 131 -5.489 17.853 -3.364 1.00 2.24 N ATOM 0 H LYS A 131 -3.794 11.989 -2.851 1.00 0.24 H new ATOM 0 HA LYS A 131 -2.078 13.397 -4.589 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -4.168 13.939 -2.625 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.882 15.125 -2.526 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -3.320 15.996 -4.609 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -3.835 14.457 -5.273 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -6.011 14.867 -4.799 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -5.646 15.333 -3.150 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -4.896 17.271 -5.310 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -6.605 17.068 -4.981 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -5.661 18.837 -3.652 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -6.188 17.575 -2.646 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -4.532 17.771 -2.965 1.00 2.24 H new ATOM 1824 N ILE A 132 -1.100 13.077 -1.459 1.00 0.28 N ATOM 1825 CA ILE A 132 0.071 13.162 -0.606 1.00 0.33 C ATOM 1826 C ILE A 132 1.032 12.017 -0.905 1.00 0.26 C ATOM 1827 O ILE A 132 2.237 12.150 -0.713 1.00 0.29 O ATOM 1828 CB ILE A 132 -0.282 13.187 0.899 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -0.993 11.904 1.327 1.00 0.46 C ATOM 1830 CG2 ILE A 132 -1.143 14.401 1.216 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -0.685 11.496 2.751 1.00 0.59 C ATOM 0 H ILE A 132 -1.924 12.671 -1.015 1.00 0.28 H new ATOM 0 HA ILE A 132 0.556 14.112 -0.833 1.00 0.33 H new ATOM 0 HB ILE A 132 0.649 13.254 1.462 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -2.069 12.040 1.220 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -0.706 11.096 0.654 1.00 0.46 H new ATOM 0 HG21 ILE A 132 -1.385 14.408 2.279 1.00 1.23 H new ATOM 0 HG22 ILE A 132 -0.598 15.310 0.962 1.00 1.23 H new ATOM 0 HG23 ILE A 132 -2.064 14.356 0.634 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -1.221 10.578 2.991 1.00 0.59 H new ATOM 0 HD12 ILE A 132 0.387 11.328 2.858 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -0.998 12.287 3.432 1.00 0.59 H new ATOM 1843 N PHE A 133 0.496 10.902 -1.396 1.00 0.25 N ATOM 1844 CA PHE A 133 1.322 9.776 -1.813 1.00 0.28 C ATOM 1845 C PHE A 133 2.287 10.198 -2.918 1.00 0.26 C ATOM 1846 O PHE A 133 3.504 10.164 -2.732 1.00 0.28 O ATOM 1847 CB PHE A 133 0.443 8.622 -2.302 1.00 0.34 C ATOM 1848 CG PHE A 133 1.226 7.517 -2.942 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.182 6.818 -2.222 1.00 0.36 C ATOM 1850 CD2 PHE A 133 0.998 7.171 -4.261 1.00 0.42 C ATOM 1851 CE1 PHE A 133 2.894 5.794 -2.809 1.00 0.39 C ATOM 1852 CE2 PHE A 133 1.707 6.150 -4.855 1.00 0.46 C ATOM 1853 CZ PHE A 133 2.692 5.483 -4.123 1.00 0.44 C ATOM 0 H PHE A 133 -0.507 10.756 -1.514 1.00 0.25 H new ATOM 0 HA PHE A 133 1.900 9.440 -0.952 1.00 0.28 H new ATOM 0 HB2 PHE A 133 -0.120 8.220 -1.460 1.00 0.34 H new ATOM 0 HB3 PHE A 133 -0.285 9.005 -3.017 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.371 7.078 -1.191 1.00 0.36 H new ATOM 0 HD2 PHE A 133 0.255 7.708 -4.833 1.00 0.42 H new ATOM 0 HE1 PHE A 133 3.614 5.236 -2.228 1.00 0.39 H new ATOM 0 HE2 PHE A 133 1.503 5.868 -5.877 1.00 0.46 H new ATOM 0 HZ PHE A 133 3.294 4.721 -4.596 1.00 0.44 H new ATOM 1863 N LEU A 134 1.742 10.633 -4.053 1.00 0.27 N ATOM 1864 CA LEU A 134 2.565 11.025 -5.195 1.00 0.34 C ATOM 1865 C LEU A 134 3.404 12.252 -4.851 1.00 0.34 C ATOM 1866 O LEU A 134 4.440 12.508 -5.467 1.00 0.43 O ATOM 1867 CB LEU A 134 1.699 11.294 -6.434 1.00 0.42 C ATOM 1868 CG LEU A 134 0.736 12.484 -6.337 1.00 0.47 C ATOM 1869 CD1 LEU A 134 1.319 13.708 -7.028 1.00 0.64 C ATOM 1870 CD2 LEU A 134 -0.609 12.125 -6.946 1.00 0.59 C ATOM 0 H LEU A 134 0.737 10.723 -4.206 1.00 0.27 H new ATOM 0 HA LEU A 134 3.236 10.198 -5.428 1.00 0.34 H new ATOM 0 HB2 LEU A 134 2.359 11.455 -7.286 1.00 0.42 H new ATOM 0 HB3 LEU A 134 1.117 10.398 -6.647 1.00 0.42 H new ATOM 0 HG LEU A 134 0.592 12.722 -5.283 1.00 0.47 H new ATOM 0 HD11 LEU A 134 0.619 14.540 -6.947 1.00 0.64 H new ATOM 0 HD12 LEU A 134 2.262 13.979 -6.553 1.00 0.64 H new ATOM 0 HD13 LEU A 134 1.494 13.483 -8.080 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -1.282 12.979 -6.870 1.00 0.59 H new ATOM 0 HD22 LEU A 134 -0.475 11.861 -7.995 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -1.036 11.277 -6.410 1.00 0.59 H new ATOM 1882 N GLN A 135 2.949 12.995 -3.853 1.00 0.29 N ATOM 1883 CA GLN A 135 3.657 14.161 -3.373 1.00 0.35 C ATOM 1884 C GLN A 135 4.976 13.745 -2.744 1.00 0.36 C ATOM 1885 O GLN A 135 6.039 14.216 -3.138 1.00 0.55 O ATOM 1886 CB GLN A 135 2.793 14.889 -2.350 1.00 0.37 C ATOM 1887 CG GLN A 135 2.520 16.333 -2.710 1.00 0.51 C ATOM 1888 CD GLN A 135 3.535 17.285 -2.105 1.00 1.06 C ATOM 1889 OE1 GLN A 135 4.265 16.926 -1.181 1.00 1.43 O ATOM 1890 NE2 GLN A 135 3.581 18.506 -2.616 1.00 1.61 N ATOM 0 H GLN A 135 2.079 12.803 -3.357 1.00 0.29 H new ATOM 0 HA GLN A 135 3.866 14.829 -4.208 1.00 0.35 H new ATOM 0 HB2 GLN A 135 1.844 14.363 -2.247 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.285 14.852 -1.378 1.00 0.37 H new ATOM 0 HG2 GLN A 135 2.527 16.441 -3.795 1.00 0.51 H new ATOM 0 HG3 GLN A 135 1.522 16.607 -2.369 1.00 0.51 H new ATOM 0 HE21 GLN A 135 2.958 18.762 -3.382 1.00 1.61 H new ATOM 0 HE22 GLN A 135 4.240 19.190 -2.244 1.00 1.61 H new ATOM 1899 N LYS A 136 4.892 12.829 -1.790 1.00 0.25 N ATOM 1900 CA LYS A 136 6.067 12.322 -1.097 1.00 0.26 C ATOM 1901 C LYS A 136 6.975 11.558 -2.061 1.00 0.23 C ATOM 1902 O LYS A 136 8.196 11.583 -1.932 1.00 0.25 O ATOM 1903 CB LYS A 136 5.634 11.409 0.049 1.00 0.32 C ATOM 1904 CG LYS A 136 4.690 12.068 1.042 1.00 0.54 C ATOM 1905 CD LYS A 136 5.439 12.847 2.110 1.00 0.50 C ATOM 1906 CE LYS A 136 4.742 14.161 2.428 1.00 0.63 C ATOM 1907 NZ LYS A 136 5.504 15.339 1.932 1.00 1.52 N ATOM 0 H LYS A 136 4.013 12.418 -1.476 1.00 0.25 H new ATOM 0 HA LYS A 136 6.627 13.166 -0.695 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.149 10.526 -0.367 1.00 0.32 H new ATOM 0 HB3 LYS A 136 6.521 11.064 0.580 1.00 0.32 H new ATOM 0 HG2 LYS A 136 4.015 12.739 0.510 1.00 0.54 H new ATOM 0 HG3 LYS A 136 4.072 11.305 1.516 1.00 0.54 H new ATOM 0 HD2 LYS A 136 5.515 12.245 3.016 1.00 0.50 H new ATOM 0 HD3 LYS A 136 6.456 13.045 1.772 1.00 0.50 H new ATOM 0 HE2 LYS A 136 3.748 14.160 1.981 1.00 0.63 H new ATOM 0 HE3 LYS A 136 4.607 14.246 3.506 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 4.842 16.101 1.682 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 6.150 15.673 2.675 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 6.054 15.068 1.092 1.00 1.52 H new ATOM 1921 N VAL A 137 6.362 10.887 -3.033 1.00 0.23 N ATOM 1922 CA VAL A 137 7.103 10.143 -4.047 1.00 0.25 C ATOM 1923 C VAL A 137 7.888 11.097 -4.946 1.00 0.30 C ATOM 1924 O VAL A 137 8.971 10.766 -5.422 1.00 0.33 O ATOM 1925 CB VAL A 137 6.159 9.270 -4.910 1.00 0.30 C ATOM 1926 CG1 VAL A 137 6.913 8.602 -6.053 1.00 0.35 C ATOM 1927 CG2 VAL A 137 5.476 8.221 -4.048 1.00 0.33 C ATOM 0 H VAL A 137 5.349 10.844 -3.139 1.00 0.23 H new ATOM 0 HA VAL A 137 7.799 9.485 -3.527 1.00 0.25 H new ATOM 0 HB VAL A 137 5.401 9.923 -5.343 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.222 7.996 -6.640 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.358 9.366 -6.691 1.00 0.35 H new ATOM 0 HG13 VAL A 137 7.699 7.965 -5.647 1.00 0.35 H new ATOM 0 HG21 VAL A 137 4.815 7.615 -4.668 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.229 7.582 -3.587 1.00 0.33 H new ATOM 0 HG23 VAL A 137 4.893 8.713 -3.270 1.00 0.33 H new ATOM 1937 N ALA A 138 7.348 12.292 -5.151 1.00 0.34 N ATOM 1938 CA ALA A 138 8.019 13.302 -5.958 1.00 0.43 C ATOM 1939 C ALA A 138 9.275 13.801 -5.255 1.00 0.43 C ATOM 1940 O ALA A 138 10.176 14.356 -5.883 1.00 0.50 O ATOM 1941 CB ALA A 138 7.082 14.463 -6.252 1.00 0.50 C ATOM 0 H ALA A 138 6.448 12.585 -4.770 1.00 0.34 H new ATOM 0 HA ALA A 138 8.309 12.845 -6.904 1.00 0.43 H new ATOM 0 HB1 ALA A 138 7.602 15.207 -6.856 1.00 0.50 H new ATOM 0 HB2 ALA A 138 6.211 14.099 -6.796 1.00 0.50 H new ATOM 0 HB3 ALA A 138 6.760 14.917 -5.315 1.00 0.50 H new ATOM 1947 N GLN A 139 9.329 13.579 -3.950 1.00 0.39 N ATOM 1948 CA GLN A 139 10.451 14.020 -3.142 1.00 0.43 C ATOM 1949 C GLN A 139 11.402 12.864 -2.865 1.00 0.40 C ATOM 1950 O GLN A 139 12.415 13.029 -2.178 1.00 0.45 O ATOM 1951 CB GLN A 139 9.954 14.607 -1.822 1.00 0.45 C ATOM 1952 CG GLN A 139 8.605 15.293 -1.934 1.00 0.54 C ATOM 1953 CD GLN A 139 8.093 15.805 -0.605 1.00 1.08 C ATOM 1954 OE1 GLN A 139 7.518 15.053 0.184 1.00 1.76 O ATOM 1955 NE2 GLN A 139 8.296 17.086 -0.347 1.00 1.56 N ATOM 0 H GLN A 139 8.601 13.092 -3.427 1.00 0.39 H new ATOM 0 HA GLN A 139 10.988 14.790 -3.697 1.00 0.43 H new ATOM 0 HB2 GLN A 139 9.887 13.810 -1.082 1.00 0.45 H new ATOM 0 HB3 GLN A 139 10.688 15.324 -1.453 1.00 0.45 H new ATOM 0 HG2 GLN A 139 8.683 16.126 -2.633 1.00 0.54 H new ATOM 0 HG3 GLN A 139 7.881 14.594 -2.352 1.00 0.54 H new ATOM 0 HE21 GLN A 139 8.777 17.674 -1.028 1.00 1.56 H new ATOM 0 HE22 GLN A 139 7.972 17.487 0.533 1.00 1.56 H new ATOM 1964 N MET A 140 11.062 11.695 -3.388 1.00 0.35 N ATOM 1965 CA MET A 140 11.869 10.500 -3.195 1.00 0.35 C ATOM 1966 C MET A 140 13.227 10.636 -3.882 1.00 0.40 C ATOM 1967 O MET A 140 13.341 11.275 -4.929 1.00 0.48 O ATOM 1968 CB MET A 140 11.128 9.278 -3.732 1.00 0.38 C ATOM 1969 CG MET A 140 10.378 8.505 -2.664 1.00 0.66 C ATOM 1970 SD MET A 140 11.081 6.876 -2.374 1.00 0.86 S ATOM 1971 CE MET A 140 10.645 6.075 -3.912 1.00 0.67 C ATOM 0 H MET A 140 10.226 11.549 -3.954 1.00 0.35 H new ATOM 0 HA MET A 140 12.042 10.374 -2.126 1.00 0.35 H new ATOM 0 HB2 MET A 140 10.423 9.599 -4.499 1.00 0.38 H new ATOM 0 HB3 MET A 140 11.844 8.613 -4.215 1.00 0.38 H new ATOM 0 HG2 MET A 140 10.389 9.073 -1.734 1.00 0.66 H new ATOM 0 HG3 MET A 140 9.335 8.400 -2.961 1.00 0.66 H new ATOM 0 HE1 MET A 140 10.399 5.030 -3.721 1.00 0.67 H new ATOM 0 HE2 MET A 140 9.783 6.576 -4.352 1.00 0.67 H new ATOM 0 HE3 MET A 140 11.487 6.130 -4.602 1.00 0.67 H new ATOM 1981 N PRO A 141 14.274 10.021 -3.308 1.00 0.42 N ATOM 1982 CA PRO A 141 15.638 10.143 -3.823 1.00 0.52 C ATOM 1983 C PRO A 141 15.822 9.392 -5.135 1.00 0.61 C ATOM 1984 O PRO A 141 15.889 8.162 -5.153 1.00 0.67 O ATOM 1985 CB PRO A 141 16.486 9.509 -2.717 1.00 0.55 C ATOM 1986 CG PRO A 141 15.581 8.536 -2.053 1.00 0.53 C ATOM 1987 CD PRO A 141 14.207 9.143 -2.125 1.00 0.46 C ATOM 0 HA PRO A 141 15.907 11.176 -4.045 1.00 0.52 H new ATOM 0 HB2 PRO A 141 17.366 9.014 -3.128 1.00 0.55 H new ATOM 0 HB3 PRO A 141 16.843 10.261 -2.013 1.00 0.55 H new ATOM 0 HG2 PRO A 141 15.609 7.569 -2.556 1.00 0.53 H new ATOM 0 HG3 PRO A 141 15.880 8.366 -1.019 1.00 0.53 H new ATOM 0 HD2 PRO A 141 13.437 8.379 -2.236 1.00 0.46 H new ATOM 0 HD3 PRO A 141 13.970 9.705 -1.222 1.00 0.46 H new ATOM 1995 N GLN A 142 15.925 10.136 -6.230 1.00 0.76 N ATOM 1996 CA GLN A 142 16.082 9.543 -7.557 1.00 0.94 C ATOM 1997 C GLN A 142 17.499 9.011 -7.765 1.00 0.93 C ATOM 1998 O GLN A 142 17.914 8.729 -8.886 1.00 1.17 O ATOM 1999 CB GLN A 142 15.748 10.571 -8.636 1.00 1.21 C ATOM 2000 CG GLN A 142 14.388 10.360 -9.280 1.00 1.60 C ATOM 2001 CD GLN A 142 14.481 10.112 -10.770 1.00 2.34 C ATOM 2002 OE1 GLN A 142 14.276 11.018 -11.579 1.00 2.87 O ATOM 2003 NE2 GLN A 142 14.785 8.881 -11.144 1.00 2.91 N ATOM 0 H GLN A 142 15.903 11.156 -6.227 1.00 0.76 H new ATOM 0 HA GLN A 142 15.391 8.703 -7.632 1.00 0.94 H new ATOM 0 HB2 GLN A 142 15.782 11.569 -8.198 1.00 1.21 H new ATOM 0 HB3 GLN A 142 16.516 10.536 -9.409 1.00 1.21 H new ATOM 0 HG2 GLN A 142 13.893 9.513 -8.805 1.00 1.60 H new ATOM 0 HG3 GLN A 142 13.765 11.236 -9.100 1.00 1.60 H new ATOM 0 HE21 GLN A 142 14.947 8.160 -10.441 1.00 2.91 H new ATOM 0 HE22 GLN A 142 14.857 8.652 -12.135 1.00 2.91 H new ATOM 2012 N GLU A 143 18.230 8.883 -6.672 1.00 0.80 N ATOM 2013 CA GLU A 143 19.571 8.358 -6.690 1.00 0.91 C ATOM 2014 C GLU A 143 19.545 6.869 -6.379 1.00 0.87 C ATOM 2015 O GLU A 143 20.266 6.082 -6.994 1.00 1.20 O ATOM 2016 CB GLU A 143 20.397 9.092 -5.648 1.00 1.04 C ATOM 2017 CG GLU A 143 20.055 10.566 -5.541 1.00 1.22 C ATOM 2018 CD GLU A 143 20.023 11.048 -4.108 1.00 1.94 C ATOM 2019 OE1 GLU A 143 19.429 10.360 -3.253 1.00 2.70 O ATOM 2020 OE2 GLU A 143 20.597 12.119 -3.826 1.00 2.30 O ATOM 0 H GLU A 143 17.901 9.144 -5.743 1.00 0.80 H new ATOM 0 HA GLU A 143 20.013 8.501 -7.676 1.00 0.91 H new ATOM 0 HB2 GLU A 143 20.247 8.620 -4.677 1.00 1.04 H new ATOM 0 HB3 GLU A 143 21.454 8.988 -5.893 1.00 1.04 H new ATOM 0 HG2 GLU A 143 20.787 11.148 -6.101 1.00 1.22 H new ATOM 0 HG3 GLU A 143 19.084 10.746 -6.004 1.00 1.22 H new ATOM 2027 N GLU A 144 18.688 6.507 -5.422 1.00 0.77 N ATOM 2028 CA GLU A 144 18.537 5.124 -4.972 1.00 0.77 C ATOM 2029 C GLU A 144 19.880 4.549 -4.529 1.00 0.82 C ATOM 2030 O GLU A 144 20.447 3.679 -5.187 1.00 1.16 O ATOM 2031 CB GLU A 144 17.919 4.248 -6.071 1.00 0.82 C ATOM 2032 CG GLU A 144 17.312 2.958 -5.543 1.00 1.04 C ATOM 2033 CD GLU A 144 16.551 2.189 -6.603 1.00 1.58 C ATOM 2034 OE1 GLU A 144 16.637 2.568 -7.788 1.00 1.87 O ATOM 2035 OE2 GLU A 144 15.864 1.205 -6.259 1.00 2.34 O ATOM 0 H GLU A 144 18.079 7.166 -4.937 1.00 0.77 H new ATOM 0 HA GLU A 144 17.861 5.126 -4.117 1.00 0.77 H new ATOM 0 HB2 GLU A 144 17.148 4.818 -6.590 1.00 0.82 H new ATOM 0 HB3 GLU A 144 18.686 4.006 -6.807 1.00 0.82 H new ATOM 0 HG2 GLU A 144 18.105 2.327 -5.142 1.00 1.04 H new ATOM 0 HG3 GLU A 144 16.640 3.190 -4.717 1.00 1.04 H new ATOM 2042 N VAL A 145 20.383 5.041 -3.408 1.00 0.63 N ATOM 2043 CA VAL A 145 21.681 4.611 -2.908 1.00 0.68 C ATOM 2044 C VAL A 145 21.510 3.487 -1.900 1.00 0.61 C ATOM 2045 O VAL A 145 20.671 3.576 -1.007 1.00 0.61 O ATOM 2046 CB VAL A 145 22.460 5.766 -2.243 1.00 0.78 C ATOM 2047 CG1 VAL A 145 23.956 5.503 -2.319 1.00 0.99 C ATOM 2048 CG2 VAL A 145 22.118 7.100 -2.892 1.00 0.88 C ATOM 0 H VAL A 145 19.914 5.737 -2.828 1.00 0.63 H new ATOM 0 HA VAL A 145 22.253 4.263 -3.768 1.00 0.68 H new ATOM 0 HB VAL A 145 22.166 5.818 -1.195 1.00 0.78 H new ATOM 0 HG11 VAL A 145 24.494 6.325 -1.847 1.00 0.99 H new ATOM 0 HG12 VAL A 145 24.188 4.572 -1.802 1.00 0.99 H new ATOM 0 HG13 VAL A 145 24.259 5.423 -3.363 1.00 0.99 H new ATOM 0 HG21 VAL A 145 22.680 7.896 -2.405 1.00 0.88 H new ATOM 0 HG22 VAL A 145 22.378 7.067 -3.950 1.00 0.88 H new ATOM 0 HG23 VAL A 145 21.050 7.293 -2.787 1.00 0.88 H new ATOM 2058 N GLU A 146 22.285 2.431 -2.055 1.00 0.66 N ATOM 2059 CA GLU A 146 22.238 1.311 -1.131 1.00 0.68 C ATOM 2060 C GLU A 146 22.998 1.649 0.143 1.00 0.72 C ATOM 2061 O GLU A 146 23.999 2.371 0.108 1.00 0.75 O ATOM 2062 CB GLU A 146 22.825 0.058 -1.776 1.00 0.79 C ATOM 2063 CG GLU A 146 22.592 -1.205 -0.968 1.00 1.00 C ATOM 2064 CD GLU A 146 22.894 -2.457 -1.762 1.00 1.10 C ATOM 2065 OE1 GLU A 146 22.066 -2.847 -2.606 1.00 1.24 O ATOM 2066 OE2 GLU A 146 23.968 -3.057 -1.544 1.00 1.53 O ATOM 0 H GLU A 146 22.957 2.324 -2.814 1.00 0.66 H new ATOM 0 HA GLU A 146 21.196 1.115 -0.879 1.00 0.68 H new ATOM 0 HB2 GLU A 146 22.389 -0.069 -2.767 1.00 0.79 H new ATOM 0 HB3 GLU A 146 23.897 0.199 -1.915 1.00 0.79 H new ATOM 0 HG2 GLU A 146 23.217 -1.183 -0.075 1.00 1.00 H new ATOM 0 HG3 GLU A 146 21.556 -1.232 -0.631 1.00 1.00 H new ATOM 2073 N LEU A 147 22.517 1.133 1.261 1.00 0.76 N ATOM 2074 CA LEU A 147 23.140 1.391 2.543 1.00 0.86 C ATOM 2075 C LEU A 147 23.843 0.138 3.045 1.00 1.01 C ATOM 2076 O LEU A 147 24.102 0.045 4.261 1.00 1.57 O ATOM 2077 CB LEU A 147 22.099 1.847 3.568 1.00 0.86 C ATOM 2078 CG LEU A 147 21.378 3.154 3.234 1.00 0.76 C ATOM 2079 CD1 LEU A 147 20.224 3.376 4.194 1.00 0.80 C ATOM 2080 CD2 LEU A 147 22.346 4.331 3.271 1.00 0.82 C ATOM 2081 OXT LEU A 147 24.120 -0.761 2.224 1.00 1.46 O ATOM 0 H LEU A 147 21.694 0.531 1.304 1.00 0.76 H new ATOM 0 HA LEU A 147 23.873 2.187 2.413 1.00 0.86 H new ATOM 0 HB2 LEU A 147 21.354 1.059 3.679 1.00 0.86 H new ATOM 0 HB3 LEU A 147 22.591 1.960 4.534 1.00 0.86 H new ATOM 0 HG LEU A 147 20.978 3.080 2.223 1.00 0.76 H new ATOM 0 HD11 LEU A 147 19.719 4.309 3.946 1.00 0.80 H new ATOM 0 HD12 LEU A 147 19.519 2.549 4.113 1.00 0.80 H new ATOM 0 HD13 LEU A 147 20.604 3.429 5.214 1.00 0.80 H new ATOM 0 HD21 LEU A 147 21.811 5.250 3.030 1.00 0.82 H new ATOM 0 HD22 LEU A 147 22.780 4.414 4.267 1.00 0.82 H new ATOM 0 HD23 LEU A 147 23.140 4.172 2.542 1.00 0.82 H new TER 2093 LEU A 147 ATOM 2094 N GLY B 311 -17.584 -3.730 5.557 1.00 2.17 N ATOM 2095 CA GLY B 311 -17.715 -3.577 4.088 1.00 1.75 C ATOM 2096 C GLY B 311 -17.692 -2.122 3.675 1.00 1.45 C ATOM 2097 O GLY B 311 -17.567 -1.237 4.524 1.00 1.85 O ATOM 0 HA2 GLY B 311 -16.903 -4.109 3.592 1.00 1.75 H new ATOM 0 HA3 GLY B 311 -18.646 -4.035 3.756 1.00 1.75 H new HETATM 2101 OH ALY B 312 -11.137 -1.200 -1.171 1.00 1.52 O HETATM 2102 CH ALY B 312 -11.117 -1.200 0.063 1.00 1.37 C HETATM 2103 CH3 ALY B 312 -9.817 -1.270 0.814 1.00 1.86 C HETATM 2104 NZ ALY B 312 -12.218 -1.130 0.803 1.00 1.27 N HETATM 2105 CE ALY B 312 -13.566 -1.056 0.246 1.00 1.51 C HETATM 2106 CD ALY B 312 -14.589 -0.603 1.274 1.00 1.71 C HETATM 2107 CG ALY B 312 -15.671 0.264 0.644 1.00 1.76 C HETATM 2108 CB ALY B 312 -16.994 -0.479 0.540 1.00 1.59 C HETATM 2109 CA ALY B 312 -17.782 -0.510 1.855 1.00 1.22 C HETATM 2110 N ALY B 312 -17.824 -1.871 2.381 1.00 1.27 N HETATM 2111 C ALY B 312 -19.196 0.032 1.657 1.00 1.31 C HETATM 2112 O ALY B 312 -20.133 -0.413 2.324 1.00 1.71 O HETATM 0 HH33 ALY B 312 -9.294 -2.190 0.552 1.00 1.86 H new HETATM 0 HH32 ALY B 312 -9.198 -0.413 0.550 1.00 1.86 H new HETATM 0 HH31 ALY B 312 -10.015 -1.258 1.886 1.00 1.86 H new HETATM 0 HZ ALY B 312 -12.116 -1.128 1.818 1.00 1.27 H new HETATM 0 HG3 ALY B 312 -15.352 0.581 -0.349 1.00 1.76 H new HETATM 0 HG2 ALY B 312 -15.806 1.167 1.239 1.00 1.76 H new HETATM 0 HE3 ALY B 312 -13.851 -2.034 -0.141 1.00 1.51 H new HETATM 0 HE2 ALY B 312 -13.571 -0.366 -0.597 1.00 1.51 H new HETATM 0 HD3 ALY B 312 -14.088 -0.044 2.064 1.00 1.71 H new HETATM 0 HD2 ALY B 312 -15.047 -1.475 1.741 1.00 1.71 H new HETATM 0 HCA ALY B 312 -17.275 0.131 2.576 1.00 1.22 H new HETATM 0 HB3 ALY B 312 -16.803 -1.502 0.216 1.00 1.59 H new HETATM 0 HB2 ALY B 312 -17.606 -0.010 -0.230 1.00 1.59 H new HETATM 0 H ALY B 312 -17.365 -2.628 1.875 1.00 1.27 H new ATOM 2127 N GLY B 313 -19.353 0.991 0.756 1.00 1.29 N ATOM 2128 CA GLY B 313 -20.659 1.565 0.504 1.00 1.46 C ATOM 2129 C GLY B 313 -20.638 3.068 0.649 1.00 1.36 C ATOM 2130 O GLY B 313 -20.922 3.796 -0.304 1.00 1.97 O ATOM 0 H GLY B 313 -18.597 1.383 0.194 1.00 1.29 H new ATOM 0 HA2 GLY B 313 -20.987 1.300 -0.501 1.00 1.46 H new ATOM 0 HA3 GLY B 313 -21.384 1.141 1.198 1.00 1.46 H new ATOM 2134 N LYS B 314 -20.300 3.519 1.853 1.00 1.20 N ATOM 2135 CA LYS B 314 -20.129 4.935 2.159 1.00 1.15 C ATOM 2136 C LYS B 314 -19.767 5.089 3.628 1.00 1.02 C ATOM 2137 O LYS B 314 -20.557 4.745 4.505 1.00 1.28 O ATOM 2138 CB LYS B 314 -21.400 5.738 1.851 1.00 1.53 C ATOM 2139 CG LYS B 314 -21.163 6.913 0.910 1.00 1.97 C ATOM 2140 CD LYS B 314 -22.376 7.173 0.024 1.00 2.24 C ATOM 2141 CE LYS B 314 -22.217 6.538 -1.351 1.00 2.95 C ATOM 2142 NZ LYS B 314 -22.917 5.227 -1.450 1.00 3.58 N ATOM 0 H LYS B 314 -20.136 2.906 2.651 1.00 1.20 H new ATOM 0 HA LYS B 314 -19.329 5.327 1.531 1.00 1.15 H new ATOM 0 HB2 LYS B 314 -22.142 5.073 1.410 1.00 1.53 H new ATOM 0 HB3 LYS B 314 -21.821 6.110 2.785 1.00 1.53 H new ATOM 0 HG2 LYS B 314 -20.938 7.807 1.492 1.00 1.97 H new ATOM 0 HG3 LYS B 314 -20.292 6.711 0.286 1.00 1.97 H new ATOM 0 HD2 LYS B 314 -23.270 6.777 0.506 1.00 2.24 H new ATOM 0 HD3 LYS B 314 -22.522 8.247 -0.086 1.00 2.24 H new ATOM 0 HE2 LYS B 314 -22.609 7.215 -2.110 1.00 2.95 H new ATOM 0 HE3 LYS B 314 -21.157 6.399 -1.565 1.00 2.95 H new ATOM 0 HZ1 LYS B 314 -23.183 5.049 -2.440 1.00 3.58 H new ATOM 0 HZ2 LYS B 314 -22.285 4.470 -1.120 1.00 3.58 H new ATOM 0 HZ3 LYS B 314 -23.773 5.245 -0.860 1.00 3.58 H new HETATM 2156 OH ALY B 315 -13.501 0.426 4.229 1.00 1.76 O HETATM 2157 CH ALY B 315 -14.414 0.784 4.972 1.00 1.07 C HETATM 2158 CH3 ALY B 315 -14.845 -0.072 6.131 1.00 1.45 C HETATM 2159 NZ ALY B 315 -15.077 1.923 4.806 1.00 1.04 N HETATM 2160 CE ALY B 315 -14.791 2.880 3.741 1.00 1.26 C HETATM 2161 CD ALY B 315 -15.675 4.116 3.821 1.00 1.06 C HETATM 2162 CG ALY B 315 -15.809 4.625 5.249 1.00 0.98 C HETATM 2163 CB ALY B 315 -16.584 5.934 5.306 1.00 0.92 C HETATM 2164 CA ALY B 315 -18.106 5.753 5.263 1.00 0.90 C HETATM 2165 N ALY B 315 -18.566 5.573 3.893 1.00 0.86 N HETATM 2166 C ALY B 315 -18.798 6.953 5.894 1.00 1.19 C HETATM 2167 O ALY B 315 -18.877 8.023 5.293 1.00 1.94 O HETATM 0 HH33 ALY B 315 -15.182 -1.041 5.762 1.00 1.45 H new HETATM 0 HH32 ALY B 315 -14.005 -0.214 6.810 1.00 1.45 H new HETATM 0 HH31 ALY B 315 -15.661 0.418 6.661 1.00 1.45 H new HETATM 0 HZ ALY B 315 -15.829 2.142 5.460 1.00 1.04 H new HETATM 0 HG3 ALY B 315 -14.818 4.769 5.679 1.00 0.98 H new HETATM 0 HG2 ALY B 315 -16.315 3.875 5.857 1.00 0.98 H new HETATM 0 HE3 ALY B 315 -14.933 2.397 2.774 1.00 1.26 H new HETATM 0 HE2 ALY B 315 -13.745 3.180 3.797 1.00 1.26 H new HETATM 0 HD3 ALY B 315 -16.663 3.882 3.424 1.00 1.06 H new HETATM 0 HD2 ALY B 315 -15.257 4.903 3.193 1.00 1.06 H new HETATM 0 HCA ALY B 315 -18.360 4.859 5.832 1.00 0.90 H new HETATM 0 HB3 ALY B 315 -16.278 6.563 4.470 1.00 0.92 H new HETATM 0 HB2 ALY B 315 -16.316 6.465 6.220 1.00 0.92 H new HETATM 0 H ALY B 315 -17.895 5.580 3.125 1.00 0.86 H new ATOM 2182 N LYS B 316 -19.309 6.767 7.097 1.00 1.45 N ATOM 2183 CA LYS B 316 -20.032 7.823 7.784 1.00 1.75 C ATOM 2184 C LYS B 316 -19.381 8.120 9.124 1.00 2.25 C ATOM 2185 O LYS B 316 -19.105 7.162 9.876 1.00 2.57 O ATOM 2186 CB LYS B 316 -21.498 7.428 7.986 1.00 2.43 C ATOM 2187 CG LYS B 316 -22.230 7.124 6.689 1.00 2.91 C ATOM 2188 CD LYS B 316 -23.379 6.157 6.911 1.00 3.60 C ATOM 2189 CE LYS B 316 -23.087 4.798 6.297 1.00 4.12 C ATOM 2190 NZ LYS B 316 -24.296 3.939 6.256 1.00 4.60 N ATOM 0 H LYS B 316 -19.237 5.894 7.620 1.00 1.45 H new ATOM 0 HA LYS B 316 -19.997 8.722 7.168 1.00 1.75 H new ATOM 0 HB2 LYS B 316 -21.544 6.552 8.633 1.00 2.43 H new ATOM 0 HB3 LYS B 316 -22.015 8.235 8.505 1.00 2.43 H new ATOM 0 HG2 LYS B 316 -22.611 8.051 6.259 1.00 2.91 H new ATOM 0 HG3 LYS B 316 -21.532 6.701 5.967 1.00 2.91 H new ATOM 0 HD2 LYS B 316 -23.560 6.044 7.980 1.00 3.60 H new ATOM 0 HD3 LYS B 316 -24.290 6.566 6.475 1.00 3.60 H new ATOM 0 HE2 LYS B 316 -22.702 4.931 5.286 1.00 4.12 H new ATOM 0 HE3 LYS B 316 -22.307 4.300 6.872 1.00 4.12 H new ATOM 0 HZ1 LYS B 316 -24.055 3.021 5.830 1.00 4.60 H new ATOM 0 HZ2 LYS B 316 -24.649 3.790 7.223 1.00 4.60 H new ATOM 0 HZ3 LYS B 316 -25.032 4.403 5.686 1.00 4.60 H new TER 2204 LYS B 316