USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 862 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 THR OG1 : rot -147:sc= -1.62! USER MOD Set 1.2: A 96 TYR OH : rot 96:sc=-0.00481 USER MOD Set 2.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 ASN : amide:sc= -0.0687 K(o=-0.069,f=-1.7!) USER MOD Single : A 2 LYS NZ :NH3+ 159:sc= -0.0622 (180deg=-0.464) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.766 USER MOD Single : A 10 THR OG1 : rot -22:sc= 0.581 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 98:sc= -0.0555 USER MOD Single : A 14 THR OG1 : rot 3:sc= 0.736! USER MOD Single : A 17 SER OG : rot -30:sc= 0.0569 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= -0.0579 (180deg=-0.522) USER MOD Single : A 43 HIS : no HD1:sc= 0.0147 K(o=0.015,f=-4.6!) USER MOD Single : A 45 ASN : amide:sc=-0.00305 K(o=-0.0031,f=-1.5) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -34:sc= 0.0958 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -37:sc= -1.48! USER MOD Single : A 61 HIS : no HE2:sc= 0.039 K(o=0.039,f=-4.4!) USER MOD Single : A 69 ASN : amide:sc= -0.033 K(o=-0.033,f=-2.1!) USER MOD Single : A 71 SER OG : rot -37:sc= 0.2 USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= -0.0292 (180deg=-0.462) USER MOD Single : A 76 ASN : amide:sc= 0.00136 K(o=0.0014,f=-1.5!) USER MOD Single : A 79 ASN : amide:sc= -3.05! C(o=-3!,f=-14!) USER MOD Single : A 80 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.08) USER MOD Single : A 82 LYS NZ :NH3+ -161:sc= -0.059 (180deg=-0.509) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -5.4! K(o=-5.4!,f=-1.7) USER MOD Single : A 88 MET CE :methyl 161:sc= -0.0212 (180deg=-0.449) USER MOD Single : A 90 HIS : no HD1:sc=-0.00771 X(o=-0.0077,f=-0.35) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.178 K(o=-0.18,f=-3.1!) USER MOD Single : A 93 ASN : amide:sc= -3.12! C(o=-3.1!,f=-6.6!) USER MOD Single : A 97 SER OG : rot 180:sc= -0.911 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 177:sc= -4.48! (180deg=-4.72!) USER MOD Single : A 117 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.5!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= -0.0692 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 116.456 12.334 -4.763 1.00 0.00 N ATOM 19 CA LYS A 2 116.113 10.918 -4.454 1.00 0.00 C ATOM 20 C LYS A 2 116.314 10.663 -2.959 1.00 0.00 C ATOM 21 O LYS A 2 117.004 11.399 -2.282 1.00 0.00 O ATOM 22 CB LYS A 2 117.009 9.980 -5.266 1.00 0.00 C ATOM 23 CG LYS A 2 116.716 10.164 -6.759 1.00 0.00 C ATOM 24 CD LYS A 2 117.569 9.190 -7.578 1.00 0.00 C ATOM 25 CE LYS A 2 116.835 7.853 -7.713 1.00 0.00 C ATOM 26 NZ LYS A 2 115.657 8.024 -8.611 1.00 0.00 N ATOM 0 HA LYS A 2 115.072 10.730 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.058 10.193 -5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 2 116.831 8.945 -4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 2 115.658 9.990 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 2 116.931 11.190 -7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 2 117.770 9.608 -8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 2 118.534 9.040 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 2 117.507 7.096 -8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 2 116.511 7.502 -6.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 115.371 7.098 -8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 114.868 8.437 -8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 115.909 8.656 -9.397 1.00 0.00 H new ATOM 40 N VAL A 3 115.703 9.636 -2.435 1.00 0.00 N ATOM 41 CA VAL A 3 115.840 9.343 -0.979 1.00 0.00 C ATOM 42 C VAL A 3 116.910 8.270 -0.757 1.00 0.00 C ATOM 43 O VAL A 3 116.948 7.265 -1.435 1.00 0.00 O ATOM 44 CB VAL A 3 114.502 8.830 -0.441 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.678 8.356 1.003 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.466 9.953 -0.489 1.00 0.00 C ATOM 0 H VAL A 3 115.113 8.985 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 3 116.131 10.255 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 3 114.161 7.997 -1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.725 7.991 1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.413 7.552 1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 3 115.022 9.187 1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.514 9.586 -0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.806 10.788 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.338 10.286 -1.519 1.00 0.00 H new ATOM 56 N LYS A 4 117.776 8.468 0.198 1.00 0.00 N ATOM 57 CA LYS A 4 118.822 7.439 0.455 1.00 0.00 C ATOM 58 C LYS A 4 118.150 6.193 1.026 1.00 0.00 C ATOM 59 O LYS A 4 117.431 6.256 2.003 1.00 0.00 O ATOM 60 CB LYS A 4 119.847 7.973 1.460 1.00 0.00 C ATOM 61 CG LYS A 4 120.876 8.849 0.740 1.00 0.00 C ATOM 62 CD LYS A 4 120.177 10.052 0.104 1.00 0.00 C ATOM 63 CE LYS A 4 121.224 10.997 -0.486 1.00 0.00 C ATOM 64 NZ LYS A 4 120.541 12.162 -1.114 1.00 0.00 N ATOM 0 H LYS A 4 117.805 9.287 0.805 1.00 0.00 H new ATOM 0 HA LYS A 4 119.335 7.197 -0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.343 8.551 2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.348 7.143 1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 4 121.635 9.188 1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 4 121.389 8.268 -0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 4 119.493 9.718 -0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 4 119.579 10.575 0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 4 121.904 11.338 0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 4 121.827 10.472 -1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 121.252 12.806 -1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 119.910 11.828 -1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 119.984 12.667 -0.395 1.00 0.00 H new ATOM 78 N GLY A 5 118.371 5.061 0.424 1.00 0.00 N ATOM 79 CA GLY A 5 117.728 3.822 0.937 1.00 0.00 C ATOM 80 C GLY A 5 118.011 2.662 -0.015 1.00 0.00 C ATOM 81 O GLY A 5 118.804 2.777 -0.930 1.00 0.00 O ATOM 0 H GLY A 5 118.965 4.939 -0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 5 118.107 3.589 1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.653 3.972 1.033 1.00 0.00 H new ATOM 85 N CYS A 6 117.368 1.541 0.192 1.00 0.00 N ATOM 86 CA CYS A 6 117.597 0.368 -0.700 1.00 0.00 C ATOM 87 C CYS A 6 116.258 -0.131 -1.246 1.00 0.00 C ATOM 88 O CYS A 6 115.296 -0.306 -0.515 1.00 0.00 O ATOM 89 CB CYS A 6 118.261 -0.746 0.104 1.00 0.00 C ATOM 90 SG CYS A 6 119.144 -1.863 -1.014 1.00 0.00 S ATOM 0 H CYS A 6 116.694 1.389 0.942 1.00 0.00 H new ATOM 0 HA CYS A 6 118.239 0.660 -1.531 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.954 -0.320 0.830 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.509 -1.299 0.667 1.00 0.00 H new ATOM 95 N ASP A 7 116.193 -0.365 -2.528 1.00 0.00 N ATOM 96 CA ASP A 7 114.930 -0.861 -3.138 1.00 0.00 C ATOM 97 C ASP A 7 115.100 -2.331 -3.527 1.00 0.00 C ATOM 98 O ASP A 7 115.801 -2.656 -4.465 1.00 0.00 O ATOM 99 CB ASP A 7 114.610 -0.036 -4.387 1.00 0.00 C ATOM 100 CG ASP A 7 113.179 -0.330 -4.840 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.575 -1.228 -4.276 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.712 0.346 -5.740 1.00 0.00 O ATOM 0 H ASP A 7 116.965 -0.233 -3.181 1.00 0.00 H new ATOM 0 HA ASP A 7 114.115 -0.765 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.724 1.027 -4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.312 -0.277 -5.185 1.00 0.00 H new ATOM 107 N PHE A 8 114.460 -3.221 -2.819 1.00 0.00 N ATOM 108 CA PHE A 8 114.580 -4.668 -3.153 1.00 0.00 C ATOM 109 C PHE A 8 113.509 -5.025 -4.185 1.00 0.00 C ATOM 110 O PHE A 8 113.372 -6.164 -4.589 1.00 0.00 O ATOM 111 CB PHE A 8 114.372 -5.506 -1.888 1.00 0.00 C ATOM 112 CG PHE A 8 115.423 -5.157 -0.865 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.677 -5.781 -0.903 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.142 -4.211 0.127 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.647 -5.457 0.053 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.112 -3.887 1.082 1.00 0.00 C ATOM 117 CZ PHE A 8 117.364 -4.510 1.045 1.00 0.00 C ATOM 0 H PHE A 8 113.859 -3.008 -2.023 1.00 0.00 H new ATOM 0 HA PHE A 8 115.570 -4.874 -3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.378 -5.323 -1.479 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.426 -6.567 -2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.895 -6.511 -1.669 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.175 -3.730 0.156 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.614 -5.938 0.025 1.00 0.00 H new ATOM 0 HE2 PHE A 8 115.894 -3.157 1.847 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.113 -4.260 1.782 1.00 0.00 H new ATOM 127 N THR A 9 112.734 -4.058 -4.595 1.00 0.00 N ATOM 128 CA THR A 9 111.651 -4.334 -5.581 1.00 0.00 C ATOM 129 C THR A 9 112.070 -3.872 -6.981 1.00 0.00 C ATOM 130 O THR A 9 111.475 -4.258 -7.969 1.00 0.00 O ATOM 131 CB THR A 9 110.389 -3.577 -5.157 1.00 0.00 C ATOM 132 OG1 THR A 9 110.027 -3.969 -3.840 1.00 0.00 O ATOM 133 CG2 THR A 9 109.247 -3.898 -6.121 1.00 0.00 C ATOM 0 H THR A 9 112.804 -3.087 -4.289 1.00 0.00 H new ATOM 0 HA THR A 9 111.459 -5.407 -5.608 1.00 0.00 H new ATOM 0 HB THR A 9 110.584 -2.505 -5.178 1.00 0.00 H new ATOM 0 HG1 THR A 9 109.323 -3.376 -3.504 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.351 -3.358 -5.816 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.527 -3.596 -7.130 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.048 -4.969 -6.105 1.00 0.00 H new ATOM 141 N THR A 10 113.072 -3.042 -7.084 1.00 0.00 N ATOM 142 CA THR A 10 113.491 -2.565 -8.434 1.00 0.00 C ATOM 143 C THR A 10 114.941 -2.076 -8.401 1.00 0.00 C ATOM 144 O THR A 10 115.311 -1.247 -7.594 1.00 0.00 O ATOM 145 CB THR A 10 112.578 -1.415 -8.866 1.00 0.00 C ATOM 146 OG1 THR A 10 111.224 -1.841 -8.804 1.00 0.00 O ATOM 147 CG2 THR A 10 112.919 -0.995 -10.296 1.00 0.00 C ATOM 0 H THR A 10 113.614 -2.676 -6.301 1.00 0.00 H new ATOM 0 HA THR A 10 113.414 -3.390 -9.142 1.00 0.00 H new ATOM 0 HB THR A 10 112.724 -0.565 -8.199 1.00 0.00 H new ATOM 0 HG1 THR A 10 111.186 -2.819 -8.858 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.267 -0.176 -10.600 1.00 0.00 H new ATOM 0 HG22 THR A 10 113.958 -0.668 -10.341 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.776 -1.841 -10.968 1.00 0.00 H new ATOM 155 N SER A 11 115.763 -2.576 -9.282 1.00 0.00 N ATOM 156 CA SER A 11 117.184 -2.128 -9.303 1.00 0.00 C ATOM 157 C SER A 11 117.229 -0.648 -9.682 1.00 0.00 C ATOM 158 O SER A 11 118.145 0.069 -9.330 1.00 0.00 O ATOM 159 CB SER A 11 117.964 -2.943 -10.334 1.00 0.00 C ATOM 160 OG SER A 11 119.345 -2.935 -9.995 1.00 0.00 O ATOM 0 H SER A 11 115.514 -3.272 -9.985 1.00 0.00 H new ATOM 0 HA SER A 11 117.632 -2.273 -8.320 1.00 0.00 H new ATOM 0 HB2 SER A 11 117.591 -3.967 -10.362 1.00 0.00 H new ATOM 0 HB3 SER A 11 117.820 -2.524 -11.330 1.00 0.00 H new ATOM 0 HG SER A 11 119.847 -3.459 -10.654 1.00 0.00 H new ATOM 166 N GLU A 12 116.236 -0.188 -10.395 1.00 0.00 N ATOM 167 CA GLU A 12 116.197 1.248 -10.800 1.00 0.00 C ATOM 168 C GLU A 12 115.009 1.921 -10.110 1.00 0.00 C ATOM 169 O GLU A 12 113.998 2.201 -10.723 1.00 0.00 O ATOM 170 CB GLU A 12 116.023 1.341 -12.317 1.00 0.00 C ATOM 171 CG GLU A 12 117.268 0.784 -13.010 1.00 0.00 C ATOM 172 CD GLU A 12 118.479 1.649 -12.659 1.00 0.00 C ATOM 173 OE1 GLU A 12 118.382 2.856 -12.805 1.00 0.00 O ATOM 174 OE2 GLU A 12 119.484 1.089 -12.250 1.00 0.00 O ATOM 0 H GLU A 12 115.446 -0.748 -10.716 1.00 0.00 H new ATOM 0 HA GLU A 12 117.124 1.743 -10.511 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.140 0.781 -12.627 1.00 0.00 H new ATOM 0 HB3 GLU A 12 115.863 2.378 -12.612 1.00 0.00 H new ATOM 0 HG2 GLU A 12 117.441 -0.246 -12.697 1.00 0.00 H new ATOM 0 HG3 GLU A 12 117.120 0.769 -14.090 1.00 0.00 H new ATOM 181 N SER A 13 115.119 2.170 -8.838 1.00 0.00 N ATOM 182 CA SER A 13 113.990 2.809 -8.105 1.00 0.00 C ATOM 183 C SER A 13 113.829 4.266 -8.541 1.00 0.00 C ATOM 184 O SER A 13 114.778 4.926 -8.913 1.00 0.00 O ATOM 185 CB SER A 13 114.271 2.768 -6.604 1.00 0.00 C ATOM 186 OG SER A 13 113.153 3.298 -5.903 1.00 0.00 O ATOM 0 H SER A 13 115.941 1.960 -8.272 1.00 0.00 H new ATOM 0 HA SER A 13 113.073 2.264 -8.330 1.00 0.00 H new ATOM 0 HB2 SER A 13 114.462 1.743 -6.286 1.00 0.00 H new ATOM 0 HB3 SER A 13 115.166 3.345 -6.374 1.00 0.00 H new ATOM 0 HG SER A 13 112.587 2.563 -5.586 1.00 0.00 H new ATOM 192 N THR A 14 112.629 4.769 -8.478 1.00 0.00 N ATOM 193 CA THR A 14 112.387 6.186 -8.863 1.00 0.00 C ATOM 194 C THR A 14 112.283 7.021 -7.590 1.00 0.00 C ATOM 195 O THR A 14 112.070 8.218 -7.631 1.00 0.00 O ATOM 196 CB THR A 14 111.079 6.289 -9.651 1.00 0.00 C ATOM 197 OG1 THR A 14 110.611 7.629 -9.612 1.00 0.00 O ATOM 198 CG2 THR A 14 110.033 5.365 -9.028 1.00 0.00 C ATOM 0 H THR A 14 111.801 4.257 -8.175 1.00 0.00 H new ATOM 0 HA THR A 14 113.205 6.549 -9.485 1.00 0.00 H new ATOM 0 HB THR A 14 111.253 5.993 -10.686 1.00 0.00 H new ATOM 0 HG1 THR A 14 111.258 8.188 -9.133 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.102 5.439 -9.590 1.00 0.00 H new ATOM 0 HG22 THR A 14 110.393 4.337 -9.056 1.00 0.00 H new ATOM 0 HG23 THR A 14 109.857 5.660 -7.993 1.00 0.00 H new ATOM 206 N ILE A 15 112.434 6.389 -6.455 1.00 0.00 N ATOM 207 CA ILE A 15 112.349 7.126 -5.160 1.00 0.00 C ATOM 208 C ILE A 15 113.627 6.911 -4.345 1.00 0.00 C ATOM 209 O ILE A 15 113.962 7.709 -3.493 1.00 0.00 O ATOM 210 CB ILE A 15 111.142 6.623 -4.368 1.00 0.00 C ATOM 211 CG1 ILE A 15 111.108 5.097 -4.410 1.00 0.00 C ATOM 212 CG2 ILE A 15 109.858 7.177 -4.988 1.00 0.00 C ATOM 213 CD1 ILE A 15 110.252 4.572 -3.257 1.00 0.00 C ATOM 0 H ILE A 15 112.614 5.389 -6.370 1.00 0.00 H new ATOM 0 HA ILE A 15 112.236 8.191 -5.362 1.00 0.00 H new ATOM 0 HB ILE A 15 111.220 6.958 -3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 15 110.701 4.758 -5.363 1.00 0.00 H new ATOM 0 HG13 ILE A 15 112.120 4.698 -4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 15 108.997 6.818 -4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 15 109.882 8.266 -4.961 1.00 0.00 H new ATOM 0 HG23 ILE A 15 109.779 6.841 -6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 15 110.228 3.483 -3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.679 4.899 -2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 15 109.238 4.960 -3.351 1.00 0.00 H new ATOM 225 N PHE A 16 114.341 5.836 -4.592 1.00 0.00 N ATOM 226 CA PHE A 16 115.595 5.575 -3.816 1.00 0.00 C ATOM 227 C PHE A 16 116.808 5.625 -4.748 1.00 0.00 C ATOM 228 O PHE A 16 116.787 5.111 -5.849 1.00 0.00 O ATOM 229 CB PHE A 16 115.519 4.193 -3.157 1.00 0.00 C ATOM 230 CG PHE A 16 114.563 4.241 -1.988 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.931 4.893 -0.803 1.00 0.00 C ATOM 232 CD2 PHE A 16 113.304 3.636 -2.088 1.00 0.00 C ATOM 233 CE1 PHE A 16 114.041 4.937 0.277 1.00 0.00 C ATOM 234 CE2 PHE A 16 112.416 3.683 -1.008 1.00 0.00 C ATOM 235 CZ PHE A 16 112.785 4.332 0.174 1.00 0.00 C ATOM 0 H PHE A 16 114.110 5.133 -5.294 1.00 0.00 H new ATOM 0 HA PHE A 16 115.699 6.341 -3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 16 115.185 3.451 -3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.508 3.885 -2.818 1.00 0.00 H new ATOM 0 HD1 PHE A 16 115.901 5.361 -0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 16 113.018 3.133 -3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 16 114.325 5.439 1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 16 111.445 3.218 -1.087 1.00 0.00 H new ATOM 0 HZ PHE A 16 112.099 4.366 1.008 1.00 0.00 H new ATOM 245 N SER A 17 117.862 6.257 -4.309 1.00 0.00 N ATOM 246 CA SER A 17 119.084 6.370 -5.155 1.00 0.00 C ATOM 247 C SER A 17 119.741 4.999 -5.351 1.00 0.00 C ATOM 248 O SER A 17 120.555 4.824 -6.236 1.00 0.00 O ATOM 249 CB SER A 17 120.083 7.311 -4.480 1.00 0.00 C ATOM 250 OG SER A 17 121.210 7.486 -5.329 1.00 0.00 O ATOM 0 H SER A 17 117.929 6.703 -3.394 1.00 0.00 H new ATOM 0 HA SER A 17 118.794 6.763 -6.130 1.00 0.00 H new ATOM 0 HB2 SER A 17 119.613 8.273 -4.276 1.00 0.00 H new ATOM 0 HB3 SER A 17 120.396 6.900 -3.520 1.00 0.00 H new ATOM 0 HG SER A 17 121.347 6.675 -5.862 1.00 0.00 H new ATOM 256 N LYS A 18 119.419 4.032 -4.529 1.00 0.00 N ATOM 257 CA LYS A 18 120.063 2.688 -4.677 1.00 0.00 C ATOM 258 C LYS A 18 119.003 1.584 -4.694 1.00 0.00 C ATOM 259 O LYS A 18 118.032 1.619 -3.967 1.00 0.00 O ATOM 260 CB LYS A 18 121.011 2.456 -3.497 1.00 0.00 C ATOM 261 CG LYS A 18 122.057 3.576 -3.434 1.00 0.00 C ATOM 262 CD LYS A 18 123.121 3.364 -4.515 1.00 0.00 C ATOM 263 CE LYS A 18 124.185 4.454 -4.404 1.00 0.00 C ATOM 264 NZ LYS A 18 125.224 4.229 -5.448 1.00 0.00 N ATOM 0 H LYS A 18 118.745 4.112 -3.768 1.00 0.00 H new ATOM 0 HA LYS A 18 120.614 2.661 -5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 18 120.445 2.424 -2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 18 121.506 1.491 -3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 18 121.574 4.543 -3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.525 3.592 -2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 18 123.579 2.381 -4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 18 122.661 3.389 -5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 18 123.731 5.437 -4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 18 124.638 4.438 -3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 125.952 4.968 -5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 125.662 3.297 -5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 124.784 4.265 -6.389 1.00 0.00 H new ATOM 278 N GLY A 19 119.196 0.594 -5.521 1.00 0.00 N ATOM 279 CA GLY A 19 118.213 -0.522 -5.592 1.00 0.00 C ATOM 280 C GLY A 19 118.914 -1.788 -6.094 1.00 0.00 C ATOM 281 O GLY A 19 119.977 -1.728 -6.678 1.00 0.00 O ATOM 0 H GLY A 19 119.993 0.510 -6.151 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.777 -0.700 -4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.394 -0.257 -6.261 1.00 0.00 H new ATOM 285 N TYR A 20 118.324 -2.932 -5.866 1.00 0.00 N ATOM 286 CA TYR A 20 118.946 -4.213 -6.320 1.00 0.00 C ATOM 287 C TYR A 20 118.009 -4.920 -7.302 1.00 0.00 C ATOM 288 O TYR A 20 116.812 -4.719 -7.290 1.00 0.00 O ATOM 289 CB TYR A 20 119.185 -5.123 -5.113 1.00 0.00 C ATOM 290 CG TYR A 20 120.404 -4.656 -4.354 1.00 0.00 C ATOM 291 CD1 TYR A 20 120.349 -3.489 -3.582 1.00 0.00 C ATOM 292 CD2 TYR A 20 121.591 -5.398 -4.416 1.00 0.00 C ATOM 293 CE1 TYR A 20 121.479 -3.065 -2.873 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.721 -4.973 -3.709 1.00 0.00 C ATOM 295 CZ TYR A 20 122.666 -3.807 -2.937 1.00 0.00 C ATOM 296 OH TYR A 20 123.780 -3.388 -2.238 1.00 0.00 O ATOM 0 H TYR A 20 117.432 -3.035 -5.382 1.00 0.00 H new ATOM 0 HA TYR A 20 119.895 -3.996 -6.810 1.00 0.00 H new ATOM 0 HB2 TYR A 20 118.312 -5.113 -4.460 1.00 0.00 H new ATOM 0 HB3 TYR A 20 119.323 -6.152 -5.444 1.00 0.00 H new ATOM 0 HD1 TYR A 20 119.435 -2.916 -3.534 1.00 0.00 H new ATOM 0 HD2 TYR A 20 121.634 -6.299 -5.010 1.00 0.00 H new ATOM 0 HE1 TYR A 20 121.436 -2.166 -2.276 1.00 0.00 H new ATOM 0 HE2 TYR A 20 123.636 -5.545 -3.759 1.00 0.00 H new ATOM 0 HH TYR A 20 124.517 -4.016 -2.390 1.00 0.00 H new ATOM 527 N ILE A 36 120.745 -10.465 2.335 1.00 0.00 N ATOM 528 CA ILE A 36 121.105 -9.285 1.500 1.00 0.00 C ATOM 529 C ILE A 36 121.184 -8.059 2.404 1.00 0.00 C ATOM 530 O ILE A 36 120.223 -7.705 3.056 1.00 0.00 O ATOM 531 CB ILE A 36 120.037 -9.060 0.429 1.00 0.00 C ATOM 532 CG1 ILE A 36 119.837 -10.352 -0.370 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.483 -7.939 -0.513 1.00 0.00 C ATOM 534 CD1 ILE A 36 121.182 -10.832 -0.925 1.00 0.00 C ATOM 0 HA ILE A 36 122.064 -9.456 1.011 1.00 0.00 H new ATOM 0 HB ILE A 36 119.098 -8.778 0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.401 -11.121 0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 36 119.136 -10.180 -1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 36 119.721 -7.780 -1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 36 120.624 -7.020 0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.422 -8.218 -0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 36 121.034 -11.751 -1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 36 121.601 -10.066 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 36 121.869 -11.021 -0.100 1.00 0.00 H new ATOM 546 N VAL A 37 122.319 -7.414 2.461 1.00 0.00 N ATOM 547 CA VAL A 37 122.454 -6.217 3.343 1.00 0.00 C ATOM 548 C VAL A 37 122.717 -4.966 2.509 1.00 0.00 C ATOM 549 O VAL A 37 123.640 -4.915 1.719 1.00 0.00 O ATOM 550 CB VAL A 37 123.626 -6.427 4.301 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.947 -5.111 5.011 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.254 -7.488 5.337 1.00 0.00 C ATOM 0 H VAL A 37 123.157 -7.663 1.936 1.00 0.00 H new ATOM 0 HA VAL A 37 121.527 -6.086 3.901 1.00 0.00 H new ATOM 0 HB VAL A 37 124.499 -6.759 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.783 -5.261 5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.213 -4.355 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 37 123.074 -4.778 5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 37 124.090 -7.638 6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.381 -7.157 5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 37 123.026 -8.426 4.831 1.00 0.00 H new ATOM 562 N CYS A 38 121.932 -3.943 2.702 1.00 0.00 N ATOM 563 CA CYS A 38 122.164 -2.686 1.944 1.00 0.00 C ATOM 564 C CYS A 38 122.846 -1.687 2.875 1.00 0.00 C ATOM 565 O CYS A 38 122.210 -1.073 3.709 1.00 0.00 O ATOM 566 CB CYS A 38 120.827 -2.103 1.489 1.00 0.00 C ATOM 567 SG CYS A 38 120.091 -3.159 0.216 1.00 0.00 S ATOM 0 H CYS A 38 121.144 -3.924 3.349 1.00 0.00 H new ATOM 0 HA CYS A 38 122.785 -2.888 1.071 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.150 -2.018 2.339 1.00 0.00 H new ATOM 0 HB3 CYS A 38 120.974 -1.096 1.097 1.00 0.00 H new ATOM 572 N THR A 39 124.135 -1.517 2.751 1.00 0.00 N ATOM 573 CA THR A 39 124.843 -0.566 3.648 1.00 0.00 C ATOM 574 C THR A 39 124.948 0.795 2.969 1.00 0.00 C ATOM 575 O THR A 39 125.529 0.933 1.911 1.00 0.00 O ATOM 576 CB THR A 39 126.251 -1.100 3.941 1.00 0.00 C ATOM 577 OG1 THR A 39 126.150 -2.356 4.600 1.00 0.00 O ATOM 578 CG2 THR A 39 127.000 -0.112 4.836 1.00 0.00 C ATOM 0 H THR A 39 124.724 -1.995 2.069 1.00 0.00 H new ATOM 0 HA THR A 39 124.288 -0.463 4.580 1.00 0.00 H new ATOM 0 HB THR A 39 126.796 -1.221 3.005 1.00 0.00 H new ATOM 0 HG1 THR A 39 127.048 -2.700 4.787 1.00 0.00 H new ATOM 0 HG21 THR A 39 128.000 -0.494 5.043 1.00 0.00 H new ATOM 0 HG22 THR A 39 127.077 0.851 4.331 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.458 0.012 5.774 1.00 0.00 H new ATOM 586 N VAL A 40 124.401 1.806 3.583 1.00 0.00 N ATOM 587 CA VAL A 40 124.478 3.171 2.986 1.00 0.00 C ATOM 588 C VAL A 40 124.696 4.200 4.099 1.00 0.00 C ATOM 589 O VAL A 40 124.255 4.023 5.217 1.00 0.00 O ATOM 590 CB VAL A 40 123.177 3.485 2.245 1.00 0.00 C ATOM 591 CG1 VAL A 40 123.080 2.618 0.987 1.00 0.00 C ATOM 592 CG2 VAL A 40 121.989 3.183 3.160 1.00 0.00 C ATOM 0 H VAL A 40 123.904 1.748 4.472 1.00 0.00 H new ATOM 0 HA VAL A 40 125.310 3.212 2.283 1.00 0.00 H new ATOM 0 HB VAL A 40 123.166 4.537 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 40 122.152 2.843 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.928 2.827 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 40 123.091 1.565 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 40 121.060 3.406 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 40 122.004 2.130 3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 40 122.055 3.798 4.057 1.00 0.00 H new ATOM 602 N LYS A 41 125.370 5.278 3.806 1.00 0.00 N ATOM 603 CA LYS A 41 125.606 6.309 4.854 1.00 0.00 C ATOM 604 C LYS A 41 124.467 7.329 4.823 1.00 0.00 C ATOM 605 O LYS A 41 124.106 7.842 3.783 1.00 0.00 O ATOM 606 CB LYS A 41 126.942 7.011 4.590 1.00 0.00 C ATOM 607 CG LYS A 41 126.926 7.636 3.194 1.00 0.00 C ATOM 608 CD LYS A 41 128.310 8.201 2.871 1.00 0.00 C ATOM 609 CE LYS A 41 128.303 8.776 1.454 1.00 0.00 C ATOM 610 NZ LYS A 41 127.315 9.888 1.372 1.00 0.00 N ATOM 0 H LYS A 41 125.766 5.489 2.890 1.00 0.00 H new ATOM 0 HA LYS A 41 125.640 5.835 5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 41 127.115 7.781 5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 41 127.762 6.297 4.670 1.00 0.00 H new ATOM 0 HG2 LYS A 41 126.645 6.888 2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 41 126.178 8.428 3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 41 128.575 8.977 3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 41 129.064 7.418 2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 41 129.297 9.139 1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 41 128.049 7.997 0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 127.505 10.459 0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 126.354 9.495 1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 127.395 10.487 2.218 1.00 0.00 H new ATOM 624 N ALA A 42 123.893 7.622 5.957 1.00 0.00 N ATOM 625 CA ALA A 42 122.773 8.606 5.990 1.00 0.00 C ATOM 626 C ALA A 42 123.295 9.948 6.502 1.00 0.00 C ATOM 627 O ALA A 42 124.240 10.007 7.264 1.00 0.00 O ATOM 628 CB ALA A 42 121.678 8.093 6.923 1.00 0.00 C ATOM 0 H ALA A 42 124.150 7.224 6.860 1.00 0.00 H new ATOM 0 HA ALA A 42 122.365 8.734 4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.857 8.810 6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 42 121.310 7.134 6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 42 122.084 7.969 7.927 1.00 0.00 H new ATOM 634 N HIS A 43 122.688 11.031 6.085 1.00 0.00 N ATOM 635 CA HIS A 43 123.148 12.377 6.540 1.00 0.00 C ATOM 636 C HIS A 43 121.986 13.114 7.210 1.00 0.00 C ATOM 637 O HIS A 43 120.831 12.873 6.917 1.00 0.00 O ATOM 638 CB HIS A 43 123.638 13.183 5.333 1.00 0.00 C ATOM 639 CG HIS A 43 124.543 14.287 5.802 1.00 0.00 C ATOM 640 ND1 HIS A 43 124.052 15.493 6.279 1.00 0.00 N ATOM 641 CD2 HIS A 43 125.911 14.383 5.873 1.00 0.00 C ATOM 642 CE1 HIS A 43 125.109 16.257 6.613 1.00 0.00 C ATOM 643 NE2 HIS A 43 126.262 15.626 6.385 1.00 0.00 N ATOM 0 H HIS A 43 121.892 11.040 5.447 1.00 0.00 H new ATOM 0 HA HIS A 43 123.963 12.261 7.254 1.00 0.00 H new ATOM 0 HB2 HIS A 43 124.170 12.532 4.639 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.789 13.600 4.791 1.00 0.00 H new ATOM 0 HD2 HIS A 43 126.606 13.612 5.577 1.00 0.00 H new ATOM 0 HE1 HIS A 43 125.033 17.256 7.015 1.00 0.00 H new ATOM 0 HE2 HIS A 43 127.203 15.981 6.552 1.00 0.00 H new ATOM 652 N ALA A 44 122.286 14.003 8.115 1.00 0.00 N ATOM 653 CA ALA A 44 121.208 14.753 8.822 1.00 0.00 C ATOM 654 C ALA A 44 120.308 15.454 7.799 1.00 0.00 C ATOM 655 O ALA A 44 119.151 15.721 8.057 1.00 0.00 O ATOM 656 CB ALA A 44 121.853 15.792 9.755 1.00 0.00 C ATOM 0 H ALA A 44 123.236 14.244 8.397 1.00 0.00 H new ATOM 0 HA ALA A 44 120.601 14.063 9.408 1.00 0.00 H new ATOM 0 HB1 ALA A 44 121.073 16.346 10.277 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.486 15.284 10.483 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.458 16.483 9.167 1.00 0.00 H new ATOM 662 N ASN A 45 120.825 15.751 6.642 1.00 0.00 N ATOM 663 CA ASN A 45 119.998 16.432 5.607 1.00 0.00 C ATOM 664 C ASN A 45 119.475 15.402 4.602 1.00 0.00 C ATOM 665 O ASN A 45 118.460 15.601 3.963 1.00 0.00 O ATOM 666 CB ASN A 45 120.855 17.466 4.876 1.00 0.00 C ATOM 667 CG ASN A 45 119.987 18.239 3.882 1.00 0.00 C ATOM 668 OD1 ASN A 45 118.796 18.377 4.078 1.00 0.00 O ATOM 669 ND2 ASN A 45 120.537 18.750 2.815 1.00 0.00 N ATOM 0 H ASN A 45 121.787 15.552 6.366 1.00 0.00 H new ATOM 0 HA ASN A 45 119.154 16.927 6.087 1.00 0.00 H new ATOM 0 HB2 ASN A 45 121.305 18.153 5.593 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.673 16.971 4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.967 19.266 2.145 1.00 0.00 H new ATOM 0 HD22 ASN A 45 121.537 18.634 2.651 1.00 0.00 H new ATOM 676 N ASP A 46 120.168 14.309 4.451 1.00 0.00 N ATOM 677 CA ASP A 46 119.723 13.271 3.478 1.00 0.00 C ATOM 678 C ASP A 46 118.499 12.531 4.024 1.00 0.00 C ATOM 679 O ASP A 46 118.460 12.145 5.176 1.00 0.00 O ATOM 680 CB ASP A 46 120.856 12.268 3.256 1.00 0.00 C ATOM 681 CG ASP A 46 121.902 12.874 2.320 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.593 13.863 1.676 1.00 0.00 O ATOM 683 OD2 ASP A 46 122.997 12.338 2.261 1.00 0.00 O ATOM 0 H ASP A 46 121.024 14.088 4.959 1.00 0.00 H new ATOM 0 HA ASP A 46 119.462 13.754 2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 46 121.315 12.006 4.209 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.461 11.347 2.828 1.00 0.00 H new ATOM 688 N LEU A 47 117.506 12.314 3.203 1.00 0.00 N ATOM 689 CA LEU A 47 116.297 11.582 3.677 1.00 0.00 C ATOM 690 C LEU A 47 116.629 10.092 3.732 1.00 0.00 C ATOM 691 O LEU A 47 117.385 9.597 2.919 1.00 0.00 O ATOM 692 CB LEU A 47 115.139 11.808 2.703 1.00 0.00 C ATOM 693 CG LEU A 47 114.879 13.308 2.549 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.717 13.524 1.578 1.00 0.00 C ATOM 695 CD2 LEU A 47 114.529 13.913 3.911 1.00 0.00 C ATOM 0 H LEU A 47 117.480 12.611 2.228 1.00 0.00 H new ATOM 0 HA LEU A 47 116.006 11.943 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 47 115.376 11.369 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 47 114.241 11.309 3.068 1.00 0.00 H new ATOM 0 HG LEU A 47 115.774 13.794 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 47 113.530 14.592 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 47 113.970 13.097 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.823 13.037 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 47 114.344 14.981 3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 47 113.635 13.430 4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 47 115.358 13.759 4.601 1.00 0.00 H new ATOM 707 N ILE A 48 116.078 9.368 4.676 1.00 0.00 N ATOM 708 CA ILE A 48 116.380 7.906 4.768 1.00 0.00 C ATOM 709 C ILE A 48 115.083 7.092 4.698 1.00 0.00 C ATOM 710 O ILE A 48 114.047 7.500 5.185 1.00 0.00 O ATOM 711 CB ILE A 48 117.085 7.623 6.099 1.00 0.00 C ATOM 712 CG1 ILE A 48 116.197 8.090 7.258 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.418 8.372 6.146 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.807 7.642 8.588 1.00 0.00 C ATOM 0 H ILE A 48 115.435 9.724 5.383 1.00 0.00 H new ATOM 0 HA ILE A 48 117.023 7.620 3.936 1.00 0.00 H new ATOM 0 HB ILE A 48 117.269 6.552 6.188 1.00 0.00 H new ATOM 0 HG12 ILE A 48 116.099 9.175 7.239 1.00 0.00 H new ATOM 0 HG13 ILE A 48 115.194 7.677 7.150 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.916 8.168 7.094 1.00 0.00 H new ATOM 0 HG22 ILE A 48 119.052 8.039 5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 48 118.237 9.443 6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 48 116.173 7.976 9.410 1.00 0.00 H new ATOM 0 HD12 ILE A 48 116.882 6.555 8.606 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.801 8.076 8.697 1.00 0.00 H new ATOM 726 N GLY A 49 115.143 5.943 4.086 1.00 0.00 N ATOM 727 CA GLY A 49 113.923 5.092 3.970 1.00 0.00 C ATOM 728 C GLY A 49 114.255 3.837 3.158 1.00 0.00 C ATOM 729 O GLY A 49 115.396 3.586 2.831 1.00 0.00 O ATOM 0 H GLY A 49 115.984 5.555 3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.565 4.813 4.961 1.00 0.00 H new ATOM 0 HA3 GLY A 49 113.121 5.650 3.486 1.00 0.00 H new ATOM 733 N PHE A 50 113.269 3.046 2.827 1.00 0.00 N ATOM 734 CA PHE A 50 113.546 1.815 2.029 1.00 0.00 C ATOM 735 C PHE A 50 112.227 1.177 1.586 1.00 0.00 C ATOM 736 O PHE A 50 111.161 1.562 2.025 1.00 0.00 O ATOM 737 CB PHE A 50 114.339 0.816 2.874 1.00 0.00 C ATOM 738 CG PHE A 50 113.479 0.308 4.004 1.00 0.00 C ATOM 739 CD1 PHE A 50 113.460 0.983 5.229 1.00 0.00 C ATOM 740 CD2 PHE A 50 112.703 -0.843 3.826 1.00 0.00 C ATOM 741 CE1 PHE A 50 112.666 0.507 6.278 1.00 0.00 C ATOM 742 CE2 PHE A 50 111.909 -1.321 4.875 1.00 0.00 C ATOM 743 CZ PHE A 50 111.889 -0.646 6.101 1.00 0.00 C ATOM 0 H PHE A 50 112.290 3.197 3.072 1.00 0.00 H new ATOM 0 HA PHE A 50 114.130 2.086 1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.670 -0.017 2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.235 1.293 3.272 1.00 0.00 H new ATOM 0 HD1 PHE A 50 114.058 1.872 5.365 1.00 0.00 H new ATOM 0 HD2 PHE A 50 112.717 -1.362 2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 50 112.652 1.028 7.224 1.00 0.00 H new ATOM 0 HE2 PHE A 50 111.312 -2.211 4.738 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.275 -1.013 6.910 1.00 0.00 H new ATOM 753 N LYS A 51 112.290 0.205 0.715 1.00 0.00 N ATOM 754 CA LYS A 51 111.033 -0.454 0.247 1.00 0.00 C ATOM 755 C LYS A 51 111.296 -1.935 -0.027 1.00 0.00 C ATOM 756 O LYS A 51 112.353 -2.310 -0.494 1.00 0.00 O ATOM 757 CB LYS A 51 110.549 0.226 -1.035 1.00 0.00 C ATOM 758 CG LYS A 51 109.276 -0.460 -1.536 1.00 0.00 C ATOM 759 CD LYS A 51 108.781 0.250 -2.797 1.00 0.00 C ATOM 760 CE LYS A 51 107.500 -0.421 -3.294 1.00 0.00 C ATOM 761 NZ LYS A 51 107.011 0.282 -4.513 1.00 0.00 N ATOM 0 H LYS A 51 113.151 -0.160 0.309 1.00 0.00 H new ATOM 0 HA LYS A 51 110.269 -0.363 1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.354 1.282 -0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.325 0.177 -1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.475 -1.510 -1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.507 -0.433 -0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 51 108.593 1.302 -2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 51 109.547 0.213 -3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 51 107.690 -1.471 -3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 51 106.737 -0.395 -2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 106.140 -0.174 -4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 106.814 1.277 -4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 107.737 0.235 -5.256 1.00 0.00 H new ATOM 775 N CYS A 52 110.334 -2.782 0.246 1.00 0.00 N ATOM 776 CA CYS A 52 110.502 -4.241 -0.006 1.00 0.00 C ATOM 777 C CYS A 52 109.376 -4.702 -0.943 1.00 0.00 C ATOM 778 O CYS A 52 108.312 -4.114 -0.962 1.00 0.00 O ATOM 779 CB CYS A 52 110.403 -4.991 1.329 1.00 0.00 C ATOM 780 SG CYS A 52 111.883 -4.671 2.321 1.00 0.00 S ATOM 0 H CYS A 52 109.430 -2.518 0.637 1.00 0.00 H new ATOM 0 HA CYS A 52 111.471 -4.443 -0.463 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.514 -4.671 1.872 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.299 -6.061 1.149 1.00 0.00 H new ATOM 785 N PRO A 53 109.593 -5.741 -1.709 1.00 0.00 N ATOM 786 CA PRO A 53 108.560 -6.269 -2.648 1.00 0.00 C ATOM 787 C PRO A 53 107.216 -6.518 -1.949 1.00 0.00 C ATOM 788 O PRO A 53 107.160 -6.892 -0.795 1.00 0.00 O ATOM 789 CB PRO A 53 109.162 -7.584 -3.178 1.00 0.00 C ATOM 790 CG PRO A 53 110.357 -7.865 -2.321 1.00 0.00 C ATOM 791 CD PRO A 53 110.830 -6.522 -1.784 1.00 0.00 C ATOM 0 HA PRO A 53 108.337 -5.558 -3.443 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.438 -8.397 -3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.447 -7.488 -4.226 1.00 0.00 H new ATOM 0 HG2 PRO A 53 110.099 -8.540 -1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 53 111.143 -8.350 -2.899 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.303 -6.622 -0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.561 -6.058 -2.446 1.00 0.00 H new ATOM 799 N SER A 54 106.138 -6.293 -2.644 1.00 0.00 N ATOM 800 CA SER A 54 104.790 -6.493 -2.038 1.00 0.00 C ATOM 801 C SER A 54 104.534 -7.979 -1.770 1.00 0.00 C ATOM 802 O SER A 54 103.617 -8.337 -1.060 1.00 0.00 O ATOM 803 CB SER A 54 103.721 -5.959 -2.990 1.00 0.00 C ATOM 804 OG SER A 54 102.456 -6.004 -2.345 1.00 0.00 O ATOM 0 H SER A 54 106.131 -5.977 -3.614 1.00 0.00 H new ATOM 0 HA SER A 54 104.749 -5.954 -1.092 1.00 0.00 H new ATOM 0 HB2 SER A 54 103.957 -4.936 -3.283 1.00 0.00 H new ATOM 0 HB3 SER A 54 103.699 -6.555 -3.902 1.00 0.00 H new ATOM 0 HG SER A 54 102.417 -6.785 -1.755 1.00 0.00 H new ATOM 810 N ASN A 55 105.320 -8.851 -2.342 1.00 0.00 N ATOM 811 CA ASN A 55 105.091 -10.311 -2.121 1.00 0.00 C ATOM 812 C ASN A 55 105.873 -10.790 -0.895 1.00 0.00 C ATOM 813 O ASN A 55 105.846 -11.954 -0.555 1.00 0.00 O ATOM 814 CB ASN A 55 105.567 -11.085 -3.352 1.00 0.00 C ATOM 815 CG ASN A 55 104.750 -10.663 -4.575 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.538 -10.725 -4.561 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.370 -10.229 -5.639 1.00 0.00 N ATOM 0 H ASN A 55 106.106 -8.619 -2.949 1.00 0.00 H new ATOM 0 HA ASN A 55 104.028 -10.484 -1.956 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.626 -10.894 -3.527 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.460 -12.157 -3.183 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.836 -9.942 -6.459 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.389 -10.177 -5.650 1.00 0.00 H new ATOM 824 N TYR A 56 106.562 -9.905 -0.232 1.00 0.00 N ATOM 825 CA TYR A 56 107.348 -10.300 0.979 1.00 0.00 C ATOM 826 C TYR A 56 106.714 -9.714 2.244 1.00 0.00 C ATOM 827 O TYR A 56 105.874 -8.840 2.178 1.00 0.00 O ATOM 828 CB TYR A 56 108.786 -9.807 0.835 1.00 0.00 C ATOM 829 CG TYR A 56 109.561 -10.774 -0.030 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.270 -10.888 -1.396 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.579 -11.551 0.534 1.00 0.00 C ATOM 832 CE1 TYR A 56 109.998 -11.778 -2.195 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.306 -12.442 -0.265 1.00 0.00 C ATOM 834 CZ TYR A 56 111.016 -12.554 -1.629 1.00 0.00 C ATOM 835 OH TYR A 56 111.735 -13.431 -2.418 1.00 0.00 O ATOM 0 H TYR A 56 106.617 -8.916 -0.476 1.00 0.00 H new ATOM 0 HA TYR A 56 107.345 -11.387 1.066 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.799 -8.812 0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.254 -9.723 1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.484 -10.289 -1.833 1.00 0.00 H new ATOM 0 HD2 TYR A 56 110.804 -11.463 1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 56 109.774 -11.866 -3.248 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.090 -13.043 0.172 1.00 0.00 H new ATOM 0 HH TYR A 56 112.404 -13.891 -1.870 1.00 0.00 H new ATOM 845 N SER A 57 107.118 -10.186 3.398 1.00 0.00 N ATOM 846 CA SER A 57 106.542 -9.649 4.664 1.00 0.00 C ATOM 847 C SER A 57 107.554 -8.694 5.301 1.00 0.00 C ATOM 848 O SER A 57 108.729 -8.993 5.390 1.00 0.00 O ATOM 849 CB SER A 57 106.255 -10.805 5.622 1.00 0.00 C ATOM 850 OG SER A 57 105.801 -10.284 6.864 1.00 0.00 O ATOM 0 H SER A 57 107.819 -10.917 3.515 1.00 0.00 H new ATOM 0 HA SER A 57 105.614 -9.117 4.455 1.00 0.00 H new ATOM 0 HB2 SER A 57 105.502 -11.468 5.195 1.00 0.00 H new ATOM 0 HB3 SER A 57 107.156 -11.401 5.772 1.00 0.00 H new ATOM 0 HG SER A 57 106.287 -9.458 7.069 1.00 0.00 H new ATOM 856 N VAL A 58 107.117 -7.544 5.738 1.00 0.00 N ATOM 857 CA VAL A 58 108.071 -6.580 6.351 1.00 0.00 C ATOM 858 C VAL A 58 108.149 -6.803 7.864 1.00 0.00 C ATOM 859 O VAL A 58 107.160 -6.754 8.567 1.00 0.00 O ATOM 860 CB VAL A 58 107.613 -5.144 6.059 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.101 -5.055 4.619 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.490 -4.744 7.022 1.00 0.00 C ATOM 0 H VAL A 58 106.146 -7.233 5.697 1.00 0.00 H new ATOM 0 HA VAL A 58 109.060 -6.738 5.921 1.00 0.00 H new ATOM 0 HB VAL A 58 108.457 -4.468 6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 58 106.776 -4.036 4.411 1.00 0.00 H new ATOM 0 HG12 VAL A 58 107.901 -5.328 3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.261 -5.738 4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.172 -3.724 6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.645 -5.421 6.897 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.853 -4.802 8.048 1.00 0.00 H new ATOM 872 N GLU A 59 109.333 -7.024 8.362 1.00 0.00 N ATOM 873 CA GLU A 59 109.518 -7.229 9.826 1.00 0.00 C ATOM 874 C GLU A 59 110.669 -6.327 10.291 1.00 0.00 C ATOM 875 O GLU A 59 111.750 -6.382 9.742 1.00 0.00 O ATOM 876 CB GLU A 59 109.884 -8.689 10.106 1.00 0.00 C ATOM 877 CG GLU A 59 108.617 -9.547 10.134 1.00 0.00 C ATOM 878 CD GLU A 59 107.906 -9.462 8.782 1.00 0.00 C ATOM 879 OE1 GLU A 59 108.576 -9.607 7.773 1.00 0.00 O ATOM 880 OE2 GLU A 59 106.704 -9.255 8.778 1.00 0.00 O ATOM 0 H GLU A 59 110.190 -7.072 7.811 1.00 0.00 H new ATOM 0 HA GLU A 59 108.597 -6.986 10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.565 -9.056 9.338 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.407 -8.766 11.059 1.00 0.00 H new ATOM 0 HG2 GLU A 59 108.873 -10.583 10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 59 107.952 -9.205 10.927 1.00 0.00 H new ATOM 887 N PRO A 60 110.459 -5.498 11.282 1.00 0.00 N ATOM 888 CA PRO A 60 111.527 -4.589 11.779 1.00 0.00 C ATOM 889 C PRO A 60 112.532 -5.318 12.670 1.00 0.00 C ATOM 890 O PRO A 60 112.204 -5.766 13.746 1.00 0.00 O ATOM 891 CB PRO A 60 110.755 -3.553 12.596 1.00 0.00 C ATOM 892 CG PRO A 60 109.550 -4.275 13.093 1.00 0.00 C ATOM 893 CD PRO A 60 109.205 -5.324 12.036 1.00 0.00 C ATOM 0 HA PRO A 60 112.114 -4.163 10.965 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.357 -3.174 13.422 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.477 -2.695 11.984 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.750 -4.746 14.056 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.719 -3.586 13.241 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.881 -6.259 12.493 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.394 -4.988 11.390 1.00 0.00 H new ATOM 901 N HIS A 61 113.758 -5.425 12.239 1.00 0.00 N ATOM 902 CA HIS A 61 114.781 -6.109 13.077 1.00 0.00 C ATOM 903 C HIS A 61 115.465 -5.054 13.944 1.00 0.00 C ATOM 904 O HIS A 61 116.011 -5.343 14.987 1.00 0.00 O ATOM 905 CB HIS A 61 115.811 -6.795 12.179 1.00 0.00 C ATOM 906 CG HIS A 61 116.515 -7.870 12.960 1.00 0.00 C ATOM 907 ND1 HIS A 61 117.172 -7.610 14.154 1.00 0.00 N ATOM 908 CD2 HIS A 61 116.674 -9.216 12.730 1.00 0.00 C ATOM 909 CE1 HIS A 61 117.690 -8.772 14.595 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.414 -9.778 13.763 1.00 0.00 N ATOM 0 H HIS A 61 114.095 -5.069 11.344 1.00 0.00 H new ATOM 0 HA HIS A 61 114.312 -6.866 13.706 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.320 -7.226 11.307 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.532 -6.066 11.811 1.00 0.00 H new ATOM 0 HD1 HIS A 61 117.249 -6.703 14.614 1.00 0.00 H new ATOM 0 HD2 HIS A 61 116.284 -9.753 11.878 1.00 0.00 H new ATOM 0 HE1 HIS A 61 118.258 -8.877 15.508 1.00 0.00 H new ATOM 919 N ASP A 62 115.423 -3.827 13.510 1.00 0.00 N ATOM 920 CA ASP A 62 116.046 -2.721 14.284 1.00 0.00 C ATOM 921 C ASP A 62 115.691 -1.397 13.606 1.00 0.00 C ATOM 922 O ASP A 62 116.501 -0.500 13.511 1.00 0.00 O ATOM 923 CB ASP A 62 117.565 -2.900 14.312 1.00 0.00 C ATOM 924 CG ASP A 62 118.196 -1.801 15.171 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.474 -0.907 15.579 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.391 -1.873 15.408 1.00 0.00 O ATOM 0 H ASP A 62 114.977 -3.540 12.639 1.00 0.00 H new ATOM 0 HA ASP A 62 115.675 -2.726 15.309 1.00 0.00 H new ATOM 0 HB2 ASP A 62 117.818 -3.881 14.715 1.00 0.00 H new ATOM 0 HB3 ASP A 62 117.965 -2.858 13.299 1.00 0.00 H new ATOM 931 N CYS A 63 114.479 -1.279 13.128 1.00 0.00 N ATOM 932 CA CYS A 63 114.054 -0.025 12.443 1.00 0.00 C ATOM 933 C CYS A 63 114.169 1.154 13.415 1.00 0.00 C ATOM 934 O CYS A 63 114.982 1.138 14.317 1.00 0.00 O ATOM 935 CB CYS A 63 112.606 -0.175 11.963 1.00 0.00 C ATOM 936 SG CYS A 63 112.520 -1.486 10.717 1.00 0.00 S ATOM 0 H CYS A 63 113.762 -2.003 13.184 1.00 0.00 H new ATOM 0 HA CYS A 63 114.698 0.162 11.583 1.00 0.00 H new ATOM 0 HB2 CYS A 63 111.955 -0.414 12.804 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.251 0.766 11.542 1.00 0.00 H new ATOM 941 N PHE A 64 113.379 2.185 13.229 1.00 0.00 N ATOM 942 CA PHE A 64 113.468 3.371 14.142 1.00 0.00 C ATOM 943 C PHE A 64 112.217 3.490 15.027 1.00 0.00 C ATOM 944 O PHE A 64 112.312 3.495 16.236 1.00 0.00 O ATOM 945 CB PHE A 64 113.639 4.644 13.310 1.00 0.00 C ATOM 946 CG PHE A 64 112.720 4.611 12.113 1.00 0.00 C ATOM 947 CD1 PHE A 64 113.052 3.835 10.997 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.541 5.362 12.118 1.00 0.00 C ATOM 949 CE1 PHE A 64 112.202 3.810 9.884 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.691 5.339 11.007 1.00 0.00 C ATOM 951 CZ PHE A 64 111.022 4.563 9.891 1.00 0.00 C ATOM 0 H PHE A 64 112.680 2.257 12.489 1.00 0.00 H new ATOM 0 HA PHE A 64 114.330 3.237 14.795 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.420 5.519 13.922 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.674 4.736 12.981 1.00 0.00 H new ATOM 0 HD1 PHE A 64 113.963 3.256 10.994 1.00 0.00 H new ATOM 0 HD2 PHE A 64 111.286 5.960 12.980 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.457 3.211 9.022 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.780 5.920 11.011 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.366 4.545 9.033 1.00 0.00 H new ATOM 961 N VAL A 65 111.045 3.595 14.457 1.00 0.00 N ATOM 962 CA VAL A 65 109.830 3.724 15.320 1.00 0.00 C ATOM 963 C VAL A 65 109.907 2.687 16.442 1.00 0.00 C ATOM 964 O VAL A 65 110.160 3.011 17.585 1.00 0.00 O ATOM 965 CB VAL A 65 108.563 3.484 14.490 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.382 3.208 15.426 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.258 4.727 13.655 1.00 0.00 C ATOM 0 H VAL A 65 110.876 3.597 13.451 1.00 0.00 H new ATOM 0 HA VAL A 65 109.790 4.729 15.740 1.00 0.00 H new ATOM 0 HB VAL A 65 108.719 2.628 13.833 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.482 3.038 14.835 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.594 2.324 16.028 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.229 4.065 16.081 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.358 4.557 13.065 1.00 0.00 H new ATOM 0 HG22 VAL A 65 108.103 5.580 14.316 1.00 0.00 H new ATOM 0 HG23 VAL A 65 109.096 4.932 12.988 1.00 0.00 H new ATOM 977 N SER A 66 109.706 1.441 16.117 1.00 0.00 N ATOM 978 CA SER A 66 109.784 0.370 17.150 1.00 0.00 C ATOM 979 C SER A 66 110.487 -0.836 16.532 1.00 0.00 C ATOM 980 O SER A 66 110.144 -1.268 15.450 1.00 0.00 O ATOM 981 CB SER A 66 108.373 -0.025 17.592 1.00 0.00 C ATOM 982 OG SER A 66 108.460 -1.017 18.609 1.00 0.00 O ATOM 0 H SER A 66 109.490 1.116 15.175 1.00 0.00 H new ATOM 0 HA SER A 66 110.337 0.724 18.020 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.838 0.849 17.965 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.807 -0.407 16.743 1.00 0.00 H new ATOM 0 HG SER A 66 107.558 -1.271 18.896 1.00 0.00 H new ATOM 988 N ALA A 67 111.474 -1.378 17.193 1.00 0.00 N ATOM 989 CA ALA A 67 112.194 -2.543 16.606 1.00 0.00 C ATOM 990 C ALA A 67 113.192 -3.119 17.612 1.00 0.00 C ATOM 991 O ALA A 67 113.313 -2.650 18.726 1.00 0.00 O ATOM 992 CB ALA A 67 112.949 -2.083 15.361 1.00 0.00 C ATOM 0 H ALA A 67 111.810 -1.068 18.105 1.00 0.00 H new ATOM 0 HA ALA A 67 111.469 -3.315 16.348 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.479 -2.929 14.924 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.242 -1.683 14.634 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.665 -1.308 15.635 1.00 0.00 H new ATOM 998 N PHE A 68 113.908 -4.133 17.211 1.00 0.00 N ATOM 999 CA PHE A 68 114.903 -4.757 18.127 1.00 0.00 C ATOM 1000 C PHE A 68 116.269 -4.109 17.877 1.00 0.00 C ATOM 1001 O PHE A 68 116.767 -4.104 16.771 1.00 0.00 O ATOM 1002 CB PHE A 68 114.999 -6.259 17.838 1.00 0.00 C ATOM 1003 CG PHE A 68 113.616 -6.837 17.643 1.00 0.00 C ATOM 1004 CD1 PHE A 68 112.939 -6.623 16.436 1.00 0.00 C ATOM 1005 CD2 PHE A 68 113.016 -7.594 18.656 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.663 -7.166 16.241 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.737 -8.135 18.461 1.00 0.00 C ATOM 1008 CZ PHE A 68 111.062 -7.919 17.251 1.00 0.00 C ATOM 0 H PHE A 68 113.846 -4.557 16.285 1.00 0.00 H new ATOM 0 HA PHE A 68 114.597 -4.609 19.163 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.602 -6.428 16.946 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.501 -6.765 18.663 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.402 -6.038 15.655 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.538 -7.761 19.587 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.144 -7.002 15.308 1.00 0.00 H new ATOM 0 HE2 PHE A 68 111.272 -8.718 19.242 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.077 -8.335 17.101 1.00 0.00 H new ATOM 1018 N ASN A 69 116.876 -3.555 18.891 1.00 0.00 N ATOM 1019 CA ASN A 69 118.202 -2.902 18.693 1.00 0.00 C ATOM 1020 C ASN A 69 119.275 -3.969 18.464 1.00 0.00 C ATOM 1021 O ASN A 69 118.990 -5.146 18.387 1.00 0.00 O ATOM 1022 CB ASN A 69 118.560 -2.082 19.935 1.00 0.00 C ATOM 1023 CG ASN A 69 117.667 -0.843 20.003 1.00 0.00 C ATOM 1024 OD1 ASN A 69 117.042 -0.477 19.028 1.00 0.00 O ATOM 1025 ND2 ASN A 69 117.584 -0.174 21.120 1.00 0.00 N ATOM 0 H ASN A 69 116.513 -3.526 19.844 1.00 0.00 H new ATOM 0 HA ASN A 69 118.152 -2.246 17.824 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.430 -2.686 20.833 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.608 -1.786 19.899 1.00 0.00 H new ATOM 0 HD21 ASN A 69 116.994 0.656 21.174 1.00 0.00 H new ATOM 0 HD22 ASN A 69 118.109 -0.481 21.939 1.00 0.00 H new ATOM 1032 N LEU A 70 120.510 -3.565 18.356 1.00 0.00 N ATOM 1033 CA LEU A 70 121.604 -4.551 18.135 1.00 0.00 C ATOM 1034 C LEU A 70 121.680 -5.491 19.336 1.00 0.00 C ATOM 1035 O LEU A 70 122.163 -6.602 19.239 1.00 0.00 O ATOM 1036 CB LEU A 70 122.934 -3.809 17.972 1.00 0.00 C ATOM 1037 CG LEU A 70 122.945 -3.052 16.638 1.00 0.00 C ATOM 1038 CD1 LEU A 70 124.040 -1.983 16.667 1.00 0.00 C ATOM 1039 CD2 LEU A 70 123.238 -4.027 15.488 1.00 0.00 C ATOM 0 H LEU A 70 120.809 -2.592 18.411 1.00 0.00 H new ATOM 0 HA LEU A 70 121.404 -5.129 17.233 1.00 0.00 H new ATOM 0 HB2 LEU A 70 123.076 -3.112 18.798 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.763 -4.516 18.006 1.00 0.00 H new ATOM 0 HG LEU A 70 121.971 -2.586 16.486 1.00 0.00 H new ATOM 0 HD11 LEU A 70 124.048 -1.445 15.719 1.00 0.00 H new ATOM 0 HD12 LEU A 70 123.844 -1.284 17.480 1.00 0.00 H new ATOM 0 HD13 LEU A 70 125.008 -2.458 16.823 1.00 0.00 H new ATOM 0 HD21 LEU A 70 123.245 -3.484 14.543 1.00 0.00 H new ATOM 0 HD22 LEU A 70 124.211 -4.493 15.645 1.00 0.00 H new ATOM 0 HD23 LEU A 70 122.467 -4.797 15.458 1.00 0.00 H new ATOM 1051 N SER A 71 121.190 -5.061 20.465 1.00 0.00 N ATOM 1052 CA SER A 71 121.217 -5.936 21.668 1.00 0.00 C ATOM 1053 C SER A 71 120.063 -6.936 21.578 1.00 0.00 C ATOM 1054 O SER A 71 119.948 -7.844 22.378 1.00 0.00 O ATOM 1055 CB SER A 71 121.050 -5.080 22.924 1.00 0.00 C ATOM 1056 OG SER A 71 121.284 -5.882 24.074 1.00 0.00 O ATOM 0 H SER A 71 120.772 -4.141 20.606 1.00 0.00 H new ATOM 0 HA SER A 71 122.167 -6.468 21.718 1.00 0.00 H new ATOM 0 HB2 SER A 71 121.747 -4.243 22.903 1.00 0.00 H new ATOM 0 HB3 SER A 71 120.046 -4.658 22.959 1.00 0.00 H new ATOM 0 HG SER A 71 120.919 -6.779 23.927 1.00 0.00 H new ATOM 1062 N GLY A 72 119.206 -6.770 20.606 1.00 0.00 N ATOM 1063 CA GLY A 72 118.055 -7.702 20.451 1.00 0.00 C ATOM 1064 C GLY A 72 116.932 -7.291 21.406 1.00 0.00 C ATOM 1065 O GLY A 72 116.043 -8.063 21.704 1.00 0.00 O ATOM 0 H GLY A 72 119.255 -6.025 19.911 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.696 -7.685 19.422 1.00 0.00 H new ATOM 0 HA3 GLY A 72 118.370 -8.724 20.662 1.00 0.00 H new ATOM 1069 N LYS A 73 116.965 -6.077 21.888 1.00 0.00 N ATOM 1070 CA LYS A 73 115.901 -5.616 22.825 1.00 0.00 C ATOM 1071 C LYS A 73 114.901 -4.748 22.058 1.00 0.00 C ATOM 1072 O LYS A 73 115.275 -3.941 21.230 1.00 0.00 O ATOM 1073 CB LYS A 73 116.541 -4.790 23.946 1.00 0.00 C ATOM 1074 CG LYS A 73 117.593 -5.629 24.681 1.00 0.00 C ATOM 1075 CD LYS A 73 116.905 -6.612 25.633 1.00 0.00 C ATOM 1076 CE LYS A 73 117.961 -7.363 26.443 1.00 0.00 C ATOM 1077 NZ LYS A 73 118.633 -6.419 27.379 1.00 0.00 N ATOM 0 H LYS A 73 117.683 -5.385 21.673 1.00 0.00 H new ATOM 0 HA LYS A 73 115.386 -6.475 23.254 1.00 0.00 H new ATOM 0 HB2 LYS A 73 117.003 -3.895 23.531 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.775 -4.457 24.646 1.00 0.00 H new ATOM 0 HG2 LYS A 73 118.204 -6.174 23.961 1.00 0.00 H new ATOM 0 HG3 LYS A 73 118.264 -4.977 25.240 1.00 0.00 H new ATOM 0 HD2 LYS A 73 116.232 -6.076 26.302 1.00 0.00 H new ATOM 0 HD3 LYS A 73 116.297 -7.317 25.067 1.00 0.00 H new ATOM 0 HE2 LYS A 73 117.496 -8.176 27.001 1.00 0.00 H new ATOM 0 HE3 LYS A 73 118.695 -7.813 25.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 119.089 -6.955 28.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 119.352 -5.872 26.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 117.928 -5.770 27.783 1.00 0.00 H new ATOM 1091 N ASN A 74 113.631 -4.912 22.318 1.00 0.00 N ATOM 1092 CA ASN A 74 112.612 -4.104 21.591 1.00 0.00 C ATOM 1093 C ASN A 74 112.400 -2.764 22.297 1.00 0.00 C ATOM 1094 O ASN A 74 111.850 -2.701 23.379 1.00 0.00 O ATOM 1095 CB ASN A 74 111.287 -4.871 21.548 1.00 0.00 C ATOM 1096 CG ASN A 74 110.409 -4.308 20.427 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.820 -3.419 19.707 1.00 0.00 O ATOM 1098 ND2 ASN A 74 109.208 -4.787 20.250 1.00 0.00 N ATOM 0 H ASN A 74 113.257 -5.570 23.002 1.00 0.00 H new ATOM 0 HA ASN A 74 112.964 -3.920 20.576 1.00 0.00 H new ATOM 0 HB2 ASN A 74 111.474 -5.932 21.381 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.773 -4.785 22.505 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.615 -4.415 19.508 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.862 -5.533 20.854 1.00 0.00 H new ATOM 1105 N GLU A 75 112.833 -1.691 21.691 1.00 0.00 N ATOM 1106 CA GLU A 75 112.656 -0.355 22.326 1.00 0.00 C ATOM 1107 C GLU A 75 112.438 0.712 21.246 1.00 0.00 C ATOM 1108 O GLU A 75 113.021 0.660 20.181 1.00 0.00 O ATOM 1109 CB GLU A 75 113.918 -0.004 23.129 1.00 0.00 C ATOM 1110 CG GLU A 75 113.731 1.346 23.833 1.00 0.00 C ATOM 1111 CD GLU A 75 112.678 1.208 24.933 1.00 0.00 C ATOM 1112 OE1 GLU A 75 112.265 0.090 25.192 1.00 0.00 O ATOM 1113 OE2 GLU A 75 112.300 2.222 25.495 1.00 0.00 O ATOM 0 H GLU A 75 113.301 -1.683 20.785 1.00 0.00 H new ATOM 0 HA GLU A 75 111.789 -0.385 22.986 1.00 0.00 H new ATOM 0 HB2 GLU A 75 114.120 -0.783 23.865 1.00 0.00 H new ATOM 0 HB3 GLU A 75 114.782 0.039 22.465 1.00 0.00 H new ATOM 0 HG2 GLU A 75 114.677 1.679 24.260 1.00 0.00 H new ATOM 0 HG3 GLU A 75 113.422 2.104 23.113 1.00 0.00 H new ATOM 1120 N ASN A 76 111.603 1.673 21.514 1.00 0.00 N ATOM 1121 CA ASN A 76 111.346 2.731 20.491 1.00 0.00 C ATOM 1122 C ASN A 76 112.630 3.528 20.246 1.00 0.00 C ATOM 1123 O ASN A 76 113.454 3.681 21.125 1.00 0.00 O ATOM 1124 CB ASN A 76 110.246 3.672 20.994 1.00 0.00 C ATOM 1125 CG ASN A 76 108.871 3.026 20.792 1.00 0.00 C ATOM 1126 OD1 ASN A 76 108.771 1.838 20.560 1.00 0.00 O ATOM 1127 ND2 ASN A 76 107.797 3.769 20.865 1.00 0.00 N ATOM 0 H ASN A 76 111.089 1.775 22.389 1.00 0.00 H new ATOM 0 HA ASN A 76 111.026 2.265 19.559 1.00 0.00 H new ATOM 0 HB2 ASN A 76 110.401 3.894 22.050 1.00 0.00 H new ATOM 0 HB3 ASN A 76 110.294 4.620 20.458 1.00 0.00 H new ATOM 0 HD21 ASN A 76 106.877 3.351 20.727 1.00 0.00 H new ATOM 0 HD22 ASN A 76 107.879 4.767 21.060 1.00 0.00 H new ATOM 1134 N LEU A 77 112.808 4.036 19.053 1.00 0.00 N ATOM 1135 CA LEU A 77 114.042 4.820 18.750 1.00 0.00 C ATOM 1136 C LEU A 77 113.745 6.322 18.848 1.00 0.00 C ATOM 1137 O LEU A 77 114.581 7.150 18.543 1.00 0.00 O ATOM 1138 CB LEU A 77 114.523 4.483 17.337 1.00 0.00 C ATOM 1139 CG LEU A 77 116.005 4.848 17.184 1.00 0.00 C ATOM 1140 CD1 LEU A 77 116.872 3.892 18.019 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.402 4.735 15.711 1.00 0.00 C ATOM 0 H LEU A 77 112.153 3.942 18.277 1.00 0.00 H new ATOM 0 HA LEU A 77 114.818 4.563 19.472 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.380 3.421 17.139 1.00 0.00 H new ATOM 0 HB3 LEU A 77 113.929 5.027 16.603 1.00 0.00 H new ATOM 0 HG LEU A 77 116.161 5.869 17.534 1.00 0.00 H new ATOM 0 HD11 LEU A 77 117.922 4.159 17.904 1.00 0.00 H new ATOM 0 HD12 LEU A 77 116.591 3.969 19.069 1.00 0.00 H new ATOM 0 HD13 LEU A 77 116.718 2.869 17.677 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.455 4.994 15.597 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.240 3.713 15.368 1.00 0.00 H new ATOM 0 HD23 LEU A 77 115.794 5.418 15.117 1.00 0.00 H new ATOM 1153 N GLU A 78 112.560 6.682 19.258 1.00 0.00 N ATOM 1154 CA GLU A 78 112.218 8.133 19.358 1.00 0.00 C ATOM 1155 C GLU A 78 113.028 8.786 20.481 1.00 0.00 C ATOM 1156 O GLU A 78 113.525 9.886 20.340 1.00 0.00 O ATOM 1157 CB GLU A 78 110.720 8.295 19.632 1.00 0.00 C ATOM 1158 CG GLU A 78 110.384 7.757 21.024 1.00 0.00 C ATOM 1159 CD GLU A 78 108.869 7.798 21.230 1.00 0.00 C ATOM 1160 OE1 GLU A 78 108.243 8.697 20.692 1.00 0.00 O ATOM 1161 OE2 GLU A 78 108.361 6.935 21.925 1.00 0.00 O ATOM 0 H GLU A 78 111.815 6.039 19.527 1.00 0.00 H new ATOM 0 HA GLU A 78 112.463 8.622 18.415 1.00 0.00 H new ATOM 0 HB2 GLU A 78 110.440 9.346 19.562 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.143 7.760 18.877 1.00 0.00 H new ATOM 0 HG2 GLU A 78 110.749 6.735 21.130 1.00 0.00 H new ATOM 0 HG3 GLU A 78 110.883 8.354 21.787 1.00 0.00 H new ATOM 1168 N ASN A 79 113.173 8.119 21.592 1.00 0.00 N ATOM 1169 CA ASN A 79 113.960 8.709 22.711 1.00 0.00 C ATOM 1170 C ASN A 79 115.416 8.865 22.272 1.00 0.00 C ATOM 1171 O ASN A 79 116.130 9.730 22.742 1.00 0.00 O ATOM 1172 CB ASN A 79 113.884 7.786 23.929 1.00 0.00 C ATOM 1173 CG ASN A 79 114.371 6.387 23.542 1.00 0.00 C ATOM 1174 OD1 ASN A 79 114.913 6.194 22.472 1.00 0.00 O ATOM 1175 ND2 ASN A 79 114.199 5.396 24.373 1.00 0.00 N ATOM 0 H ASN A 79 112.782 7.194 21.773 1.00 0.00 H new ATOM 0 HA ASN A 79 113.553 9.685 22.975 1.00 0.00 H new ATOM 0 HB2 ASN A 79 114.495 8.184 24.739 1.00 0.00 H new ATOM 0 HB3 ASN A 79 112.859 7.737 24.298 1.00 0.00 H new ATOM 0 HD21 ASN A 79 114.520 4.460 24.124 1.00 0.00 H new ATOM 0 HD22 ASN A 79 113.744 5.557 25.272 1.00 0.00 H new ATOM 1182 N LYS A 80 115.859 8.039 21.367 1.00 0.00 N ATOM 1183 CA LYS A 80 117.266 8.142 20.887 1.00 0.00 C ATOM 1184 C LYS A 80 117.352 9.208 19.794 1.00 0.00 C ATOM 1185 O LYS A 80 118.217 10.062 19.810 1.00 0.00 O ATOM 1186 CB LYS A 80 117.707 6.790 20.318 1.00 0.00 C ATOM 1187 CG LYS A 80 119.145 6.874 19.784 1.00 0.00 C ATOM 1188 CD LYS A 80 120.116 7.098 20.944 1.00 0.00 C ATOM 1189 CE LYS A 80 121.536 6.763 20.491 1.00 0.00 C ATOM 1190 NZ LYS A 80 121.963 7.727 19.438 1.00 0.00 N ATOM 0 H LYS A 80 115.308 7.296 20.938 1.00 0.00 H new ATOM 0 HA LYS A 80 117.917 8.418 21.716 1.00 0.00 H new ATOM 0 HB2 LYS A 80 117.644 6.025 21.092 1.00 0.00 H new ATOM 0 HB3 LYS A 80 117.032 6.489 19.517 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.401 5.955 19.256 1.00 0.00 H new ATOM 0 HG3 LYS A 80 119.229 7.689 19.065 1.00 0.00 H new ATOM 0 HD2 LYS A 80 120.065 8.134 21.280 1.00 0.00 H new ATOM 0 HD3 LYS A 80 119.836 6.473 21.792 1.00 0.00 H new ATOM 0 HE2 LYS A 80 122.220 6.808 21.339 1.00 0.00 H new ATOM 0 HE3 LYS A 80 121.575 5.745 20.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 122.975 7.597 19.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 121.415 7.559 18.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 121.797 8.699 19.769 1.00 0.00 H new ATOM 1204 N LEU A 81 116.459 9.160 18.841 1.00 0.00 N ATOM 1205 CA LEU A 81 116.471 10.159 17.734 1.00 0.00 C ATOM 1206 C LEU A 81 115.095 10.822 17.636 1.00 0.00 C ATOM 1207 O LEU A 81 114.085 10.153 17.533 1.00 0.00 O ATOM 1208 CB LEU A 81 116.791 9.445 16.418 1.00 0.00 C ATOM 1209 CG LEU A 81 116.936 10.472 15.292 1.00 0.00 C ATOM 1210 CD1 LEU A 81 118.148 11.371 15.562 1.00 0.00 C ATOM 1211 CD2 LEU A 81 117.129 9.736 13.965 1.00 0.00 C ATOM 0 H LEU A 81 115.715 8.465 18.782 1.00 0.00 H new ATOM 0 HA LEU A 81 117.226 10.920 17.930 1.00 0.00 H new ATOM 0 HB2 LEU A 81 117.712 8.871 16.520 1.00 0.00 H new ATOM 0 HB3 LEU A 81 115.999 8.736 16.176 1.00 0.00 H new ATOM 0 HG LEU A 81 116.039 11.089 15.244 1.00 0.00 H new ATOM 0 HD11 LEU A 81 118.247 12.100 14.758 1.00 0.00 H new ATOM 0 HD12 LEU A 81 118.011 11.892 16.509 1.00 0.00 H new ATOM 0 HD13 LEU A 81 119.050 10.761 15.611 1.00 0.00 H new ATOM 0 HD21 LEU A 81 117.233 10.462 13.158 1.00 0.00 H new ATOM 0 HD22 LEU A 81 118.027 9.121 14.018 1.00 0.00 H new ATOM 0 HD23 LEU A 81 116.265 9.101 13.772 1.00 0.00 H new ATOM 1223 N LYS A 82 115.041 12.124 17.664 1.00 0.00 N ATOM 1224 CA LYS A 82 113.719 12.808 17.569 1.00 0.00 C ATOM 1225 C LYS A 82 113.252 12.805 16.111 1.00 0.00 C ATOM 1226 O LYS A 82 113.447 13.759 15.384 1.00 0.00 O ATOM 1227 CB LYS A 82 113.858 14.250 18.063 1.00 0.00 C ATOM 1228 CG LYS A 82 114.162 14.248 19.563 1.00 0.00 C ATOM 1229 CD LYS A 82 114.355 15.686 20.051 1.00 0.00 C ATOM 1230 CE LYS A 82 114.728 15.677 21.534 1.00 0.00 C ATOM 1231 NZ LYS A 82 113.620 15.065 22.321 1.00 0.00 N ATOM 0 H LYS A 82 115.848 12.742 17.748 1.00 0.00 H new ATOM 0 HA LYS A 82 112.988 12.284 18.185 1.00 0.00 H new ATOM 0 HB2 LYS A 82 114.656 14.756 17.520 1.00 0.00 H new ATOM 0 HB3 LYS A 82 112.939 14.803 17.868 1.00 0.00 H new ATOM 0 HG2 LYS A 82 113.346 13.775 20.109 1.00 0.00 H new ATOM 0 HG3 LYS A 82 115.060 13.663 19.761 1.00 0.00 H new ATOM 0 HD2 LYS A 82 115.138 16.176 19.471 1.00 0.00 H new ATOM 0 HD3 LYS A 82 113.440 16.259 19.899 1.00 0.00 H new ATOM 0 HE2 LYS A 82 115.649 15.115 21.685 1.00 0.00 H new ATOM 0 HE3 LYS A 82 114.915 16.694 21.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 113.711 15.339 23.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 112.707 15.399 21.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 113.668 14.029 22.240 1.00 0.00 H new ATOM 1245 N LEU A 83 112.643 11.734 15.679 1.00 0.00 N ATOM 1246 CA LEU A 83 112.167 11.658 14.267 1.00 0.00 C ATOM 1247 C LEU A 83 110.811 12.356 14.131 1.00 0.00 C ATOM 1248 O LEU A 83 109.925 12.182 14.944 1.00 0.00 O ATOM 1249 CB LEU A 83 112.025 10.190 13.854 1.00 0.00 C ATOM 1250 CG LEU A 83 113.411 9.540 13.771 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.251 8.031 13.582 1.00 0.00 C ATOM 1252 CD2 LEU A 83 114.191 10.120 12.585 1.00 0.00 C ATOM 0 H LEU A 83 112.454 10.906 16.244 1.00 0.00 H new ATOM 0 HA LEU A 83 112.891 12.154 13.621 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.406 9.657 14.576 1.00 0.00 H new ATOM 0 HB3 LEU A 83 111.522 10.121 12.890 1.00 0.00 H new ATOM 0 HG LEU A 83 113.958 9.742 14.692 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.235 7.565 13.523 1.00 0.00 H new ATOM 0 HD12 LEU A 83 112.703 7.615 14.427 1.00 0.00 H new ATOM 0 HD13 LEU A 83 112.701 7.836 12.661 1.00 0.00 H new ATOM 0 HD21 LEU A 83 115.175 9.653 12.533 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.647 9.924 11.661 1.00 0.00 H new ATOM 0 HD23 LEU A 83 114.307 11.196 12.717 1.00 0.00 H new ATOM 1264 N THR A 84 110.650 13.137 13.097 1.00 0.00 N ATOM 1265 CA THR A 84 109.353 13.850 12.888 1.00 0.00 C ATOM 1266 C THR A 84 108.827 13.541 11.487 1.00 0.00 C ATOM 1267 O THR A 84 109.565 13.115 10.620 1.00 0.00 O ATOM 1268 CB THR A 84 109.569 15.360 13.026 1.00 0.00 C ATOM 1269 OG1 THR A 84 110.391 15.818 11.962 1.00 0.00 O ATOM 1270 CG2 THR A 84 110.247 15.665 14.363 1.00 0.00 C ATOM 0 H THR A 84 111.360 13.313 12.386 1.00 0.00 H new ATOM 0 HA THR A 84 108.631 13.517 13.634 1.00 0.00 H new ATOM 0 HB THR A 84 108.605 15.868 12.988 1.00 0.00 H new ATOM 0 HG1 THR A 84 110.529 16.784 12.048 1.00 0.00 H new ATOM 0 HG21 THR A 84 110.399 16.740 14.457 1.00 0.00 H new ATOM 0 HG22 THR A 84 109.615 15.315 15.179 1.00 0.00 H new ATOM 0 HG23 THR A 84 111.211 15.157 14.406 1.00 0.00 H new ATOM 1278 N ASN A 85 107.555 13.748 11.260 1.00 0.00 N ATOM 1279 CA ASN A 85 106.978 13.466 9.913 1.00 0.00 C ATOM 1280 C ASN A 85 107.270 12.016 9.521 1.00 0.00 C ATOM 1281 O ASN A 85 107.777 11.741 8.451 1.00 0.00 O ATOM 1282 CB ASN A 85 107.599 14.412 8.885 1.00 0.00 C ATOM 1283 CG ASN A 85 107.160 15.848 9.175 1.00 0.00 C ATOM 1284 OD1 ASN A 85 105.991 16.106 9.382 1.00 0.00 O ATOM 1285 ND2 ASN A 85 108.055 16.797 9.199 1.00 0.00 N ATOM 0 H ASN A 85 106.892 14.100 11.950 1.00 0.00 H new ATOM 0 HA ASN A 85 105.899 13.619 9.941 1.00 0.00 H new ATOM 0 HB2 ASN A 85 108.686 14.340 8.920 1.00 0.00 H new ATOM 0 HB3 ASN A 85 107.293 14.124 7.879 1.00 0.00 H new ATOM 0 HD21 ASN A 85 107.774 17.758 9.392 1.00 0.00 H new ATOM 0 HD22 ASN A 85 109.036 16.578 9.025 1.00 0.00 H new ATOM 1292 N ILE A 86 106.966 11.088 10.385 1.00 0.00 N ATOM 1293 CA ILE A 86 107.237 9.656 10.074 1.00 0.00 C ATOM 1294 C ILE A 86 106.160 9.112 9.129 1.00 0.00 C ATOM 1295 O ILE A 86 104.979 9.285 9.352 1.00 0.00 O ATOM 1296 CB ILE A 86 107.238 8.854 11.377 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.396 9.328 12.260 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.400 7.364 11.071 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.273 8.702 13.650 1.00 0.00 C ATOM 0 H ILE A 86 106.540 11.260 11.296 1.00 0.00 H new ATOM 0 HA ILE A 86 108.208 9.566 9.587 1.00 0.00 H new ATOM 0 HB ILE A 86 106.293 9.008 11.898 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.348 9.050 11.808 1.00 0.00 H new ATOM 0 HG13 ILE A 86 108.386 10.415 12.338 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.400 6.799 12.003 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.574 7.029 10.444 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.342 7.200 10.548 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.098 9.041 14.276 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.328 9.002 14.102 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.305 7.616 13.564 1.00 0.00 H new ATOM 1311 N ILE A 87 106.565 8.449 8.074 1.00 0.00 N ATOM 1312 CA ILE A 87 105.573 7.884 7.107 1.00 0.00 C ATOM 1313 C ILE A 87 105.711 6.358 7.075 1.00 0.00 C ATOM 1314 O ILE A 87 106.753 5.836 6.726 1.00 0.00 O ATOM 1315 CB ILE A 87 105.861 8.432 5.706 1.00 0.00 C ATOM 1316 CG1 ILE A 87 105.799 9.963 5.722 1.00 0.00 C ATOM 1317 CG2 ILE A 87 104.833 7.885 4.713 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.445 10.429 6.265 1.00 0.00 C ATOM 0 H ILE A 87 107.542 8.274 7.840 1.00 0.00 H new ATOM 0 HA ILE A 87 104.566 8.163 7.417 1.00 0.00 H new ATOM 0 HB ILE A 87 106.859 8.117 5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.604 10.361 6.340 1.00 0.00 H new ATOM 0 HG13 ILE A 87 105.949 10.351 4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 87 105.043 8.278 3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 87 104.890 6.797 4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 87 103.833 8.190 5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.411 11.518 6.272 1.00 0.00 H new ATOM 0 HD12 ILE A 87 103.647 10.045 5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.312 10.055 7.280 1.00 0.00 H new ATOM 1330 N MET A 88 104.674 5.637 7.433 1.00 0.00 N ATOM 1331 CA MET A 88 104.762 4.141 7.416 1.00 0.00 C ATOM 1332 C MET A 88 103.632 3.562 6.557 1.00 0.00 C ATOM 1333 O MET A 88 102.474 3.610 6.924 1.00 0.00 O ATOM 1334 CB MET A 88 104.630 3.604 8.846 1.00 0.00 C ATOM 1335 CG MET A 88 105.781 4.142 9.698 1.00 0.00 C ATOM 1336 SD MET A 88 105.554 3.640 11.423 1.00 0.00 S ATOM 1337 CE MET A 88 105.998 1.897 11.222 1.00 0.00 C ATOM 0 H MET A 88 103.776 6.016 7.734 1.00 0.00 H new ATOM 0 HA MET A 88 105.724 3.846 6.997 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.674 3.907 9.273 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.646 2.514 8.840 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.732 3.764 9.322 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.820 5.229 9.628 1.00 0.00 H new ATOM 0 HE1 MET A 88 106.253 1.472 12.193 1.00 0.00 H new ATOM 0 HE2 MET A 88 105.154 1.353 10.798 1.00 0.00 H new ATOM 0 HE3 MET A 88 106.855 1.815 10.554 1.00 0.00 H new ATOM 1347 N ASP A 89 103.964 3.003 5.421 1.00 0.00 N ATOM 1348 CA ASP A 89 102.920 2.401 4.535 1.00 0.00 C ATOM 1349 C ASP A 89 103.140 0.885 4.467 1.00 0.00 C ATOM 1350 O ASP A 89 103.999 0.404 3.753 1.00 0.00 O ATOM 1351 CB ASP A 89 103.035 3.002 3.134 1.00 0.00 C ATOM 1352 CG ASP A 89 101.825 2.582 2.298 1.00 0.00 C ATOM 1353 OD1 ASP A 89 101.114 1.688 2.729 1.00 0.00 O ATOM 1354 OD2 ASP A 89 101.630 3.160 1.243 1.00 0.00 O ATOM 0 H ASP A 89 104.918 2.937 5.067 1.00 0.00 H new ATOM 0 HA ASP A 89 101.927 2.610 4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 89 103.088 4.089 3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 89 103.955 2.665 2.656 1.00 0.00 H new ATOM 1359 N HIS A 90 102.371 0.127 5.200 1.00 0.00 N ATOM 1360 CA HIS A 90 102.540 -1.354 5.182 1.00 0.00 C ATOM 1361 C HIS A 90 102.063 -1.937 3.847 1.00 0.00 C ATOM 1362 O HIS A 90 102.634 -2.880 3.337 1.00 0.00 O ATOM 1363 CB HIS A 90 101.737 -1.969 6.327 1.00 0.00 C ATOM 1364 CG HIS A 90 102.392 -1.623 7.635 1.00 0.00 C ATOM 1365 ND1 HIS A 90 102.246 -0.377 8.229 1.00 0.00 N ATOM 1366 CD2 HIS A 90 103.203 -2.346 8.476 1.00 0.00 C ATOM 1367 CE1 HIS A 90 102.951 -0.388 9.375 1.00 0.00 C ATOM 1368 NE2 HIS A 90 103.552 -1.563 9.571 1.00 0.00 N ATOM 0 H HIS A 90 101.631 0.470 5.812 1.00 0.00 H new ATOM 0 HA HIS A 90 103.598 -1.588 5.304 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.713 -1.596 6.310 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.684 -3.051 6.209 1.00 0.00 H new ATOM 0 HD2 HIS A 90 103.520 -3.365 8.312 1.00 0.00 H new ATOM 0 HE1 HIS A 90 103.022 0.450 10.052 1.00 0.00 H new ATOM 0 HE2 HIS A 90 104.143 -1.831 10.358 1.00 0.00 H new ATOM 1377 N TYR A 91 101.018 -1.398 3.281 1.00 0.00 N ATOM 1378 CA TYR A 91 100.515 -1.944 1.986 1.00 0.00 C ATOM 1379 C TYR A 91 101.608 -1.834 0.922 1.00 0.00 C ATOM 1380 O TYR A 91 101.867 -2.768 0.189 1.00 0.00 O ATOM 1381 CB TYR A 91 99.282 -1.160 1.534 1.00 0.00 C ATOM 1382 CG TYR A 91 98.844 -1.661 0.178 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.144 -2.869 0.068 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.142 -0.917 -0.970 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.742 -3.332 -1.191 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.740 -1.380 -2.228 1.00 0.00 C ATOM 1387 CZ TYR A 91 98.039 -2.588 -2.339 1.00 0.00 C ATOM 1388 OH TYR A 91 97.644 -3.044 -3.579 1.00 0.00 O ATOM 0 H TYR A 91 100.493 -0.608 3.655 1.00 0.00 H new ATOM 0 HA TYR A 91 100.245 -2.991 2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.475 -1.280 2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.511 -0.095 1.485 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.914 -3.443 0.954 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.682 0.014 -0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.202 -4.264 -1.276 1.00 0.00 H new ATOM 0 HE2 TYR A 91 98.970 -0.806 -3.113 1.00 0.00 H new ATOM 0 HH TYR A 91 97.929 -2.408 -4.268 1.00 0.00 H new ATOM 1398 N ASN A 92 102.257 -0.706 0.833 1.00 0.00 N ATOM 1399 CA ASN A 92 103.336 -0.552 -0.182 1.00 0.00 C ATOM 1400 C ASN A 92 104.663 -1.015 0.422 1.00 0.00 C ATOM 1401 O ASN A 92 105.669 -1.093 -0.253 1.00 0.00 O ATOM 1402 CB ASN A 92 103.441 0.915 -0.601 1.00 0.00 C ATOM 1403 CG ASN A 92 102.293 1.260 -1.551 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.670 0.380 -2.114 1.00 0.00 O ATOM 1405 ND2 ASN A 92 101.985 2.510 -1.756 1.00 0.00 N ATOM 0 H ASN A 92 102.088 0.113 1.417 1.00 0.00 H new ATOM 0 HA ASN A 92 103.105 -1.157 -1.059 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.405 1.558 0.278 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.398 1.097 -1.090 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.222 2.750 -2.388 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.507 3.248 -1.284 1.00 0.00 H new ATOM 1412 N ASN A 93 104.660 -1.345 1.684 1.00 0.00 N ATOM 1413 CA ASN A 93 105.911 -1.831 2.336 1.00 0.00 C ATOM 1414 C ASN A 93 107.041 -0.818 2.140 1.00 0.00 C ATOM 1415 O ASN A 93 108.141 -1.171 1.761 1.00 0.00 O ATOM 1416 CB ASN A 93 106.315 -3.174 1.719 1.00 0.00 C ATOM 1417 CG ASN A 93 105.310 -4.251 2.135 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.619 -4.103 3.123 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.195 -5.334 1.415 1.00 0.00 N ATOM 0 H ASN A 93 103.844 -1.299 2.294 1.00 0.00 H new ATOM 0 HA ASN A 93 105.730 -1.954 3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.347 -3.092 0.633 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.317 -3.450 2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.525 -6.055 1.682 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.775 -5.459 0.585 1.00 0.00 H new ATOM 1426 N THR A 94 106.788 0.442 2.399 1.00 0.00 N ATOM 1427 CA THR A 94 107.856 1.473 2.232 1.00 0.00 C ATOM 1428 C THR A 94 107.896 2.366 3.474 1.00 0.00 C ATOM 1429 O THR A 94 106.874 2.759 4.001 1.00 0.00 O ATOM 1430 CB THR A 94 107.557 2.326 0.997 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.465 3.415 0.948 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.127 2.854 1.070 1.00 0.00 C ATOM 0 H THR A 94 105.888 0.800 2.719 1.00 0.00 H new ATOM 0 HA THR A 94 108.820 0.981 2.105 1.00 0.00 H new ATOM 0 HB THR A 94 107.668 1.717 0.100 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.022 4.192 0.548 1.00 0.00 H new ATOM 0 HG21 THR A 94 105.918 3.461 0.189 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.431 2.016 1.107 1.00 0.00 H new ATOM 0 HG23 THR A 94 106.009 3.463 1.966 1.00 0.00 H new ATOM 1440 N PHE A 95 109.072 2.676 3.955 1.00 0.00 N ATOM 1441 CA PHE A 95 109.177 3.532 5.177 1.00 0.00 C ATOM 1442 C PHE A 95 110.065 4.745 4.884 1.00 0.00 C ATOM 1443 O PHE A 95 111.090 4.629 4.241 1.00 0.00 O ATOM 1444 CB PHE A 95 109.810 2.710 6.302 1.00 0.00 C ATOM 1445 CG PHE A 95 109.004 1.450 6.518 1.00 0.00 C ATOM 1446 CD1 PHE A 95 109.174 0.357 5.661 1.00 0.00 C ATOM 1447 CD2 PHE A 95 108.090 1.375 7.575 1.00 0.00 C ATOM 1448 CE1 PHE A 95 108.429 -0.811 5.859 1.00 0.00 C ATOM 1449 CE2 PHE A 95 107.345 0.207 7.774 1.00 0.00 C ATOM 1450 CZ PHE A 95 107.513 -0.886 6.915 1.00 0.00 C ATOM 0 H PHE A 95 109.962 2.375 3.557 1.00 0.00 H new ATOM 0 HA PHE A 95 108.184 3.873 5.471 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.839 2.457 6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.843 3.296 7.221 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.881 0.415 4.846 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.960 2.218 8.237 1.00 0.00 H new ATOM 0 HE1 PHE A 95 108.561 -1.654 5.197 1.00 0.00 H new ATOM 0 HE2 PHE A 95 106.640 0.149 8.590 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.936 -1.786 7.067 1.00 0.00 H new ATOM 1460 N TYR A 96 109.684 5.911 5.353 1.00 0.00 N ATOM 1461 CA TYR A 96 110.508 7.130 5.104 1.00 0.00 C ATOM 1462 C TYR A 96 110.610 7.942 6.401 1.00 0.00 C ATOM 1463 O TYR A 96 109.681 7.991 7.186 1.00 0.00 O ATOM 1464 CB TYR A 96 109.831 8.010 4.043 1.00 0.00 C ATOM 1465 CG TYR A 96 109.602 7.227 2.772 1.00 0.00 C ATOM 1466 CD1 TYR A 96 110.624 7.115 1.822 1.00 0.00 C ATOM 1467 CD2 TYR A 96 108.360 6.625 2.538 1.00 0.00 C ATOM 1468 CE1 TYR A 96 110.405 6.401 0.639 1.00 0.00 C ATOM 1469 CE2 TYR A 96 108.140 5.913 1.354 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.162 5.800 0.405 1.00 0.00 C ATOM 1471 OH TYR A 96 108.944 5.096 -0.763 1.00 0.00 O ATOM 0 H TYR A 96 108.836 6.067 5.898 1.00 0.00 H new ATOM 0 HA TYR A 96 111.497 6.825 4.761 1.00 0.00 H new ATOM 0 HB2 TYR A 96 108.880 8.382 4.424 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.453 8.880 3.834 1.00 0.00 H new ATOM 0 HD1 TYR A 96 111.582 7.580 2.002 1.00 0.00 H new ATOM 0 HD2 TYR A 96 107.572 6.710 3.271 1.00 0.00 H new ATOM 0 HE1 TYR A 96 111.194 6.313 -0.093 1.00 0.00 H new ATOM 0 HE2 TYR A 96 107.181 5.450 1.172 1.00 0.00 H new ATOM 0 HH TYR A 96 109.103 4.142 -0.604 1.00 0.00 H new ATOM 1481 N SER A 97 111.720 8.592 6.625 1.00 0.00 N ATOM 1482 CA SER A 97 111.871 9.413 7.861 1.00 0.00 C ATOM 1483 C SER A 97 112.910 10.512 7.607 1.00 0.00 C ATOM 1484 O SER A 97 113.766 10.385 6.748 1.00 0.00 O ATOM 1485 CB SER A 97 112.337 8.526 9.019 1.00 0.00 C ATOM 1486 OG SER A 97 113.672 8.100 8.779 1.00 0.00 O ATOM 0 H SER A 97 112.530 8.590 6.005 1.00 0.00 H new ATOM 0 HA SER A 97 110.912 9.863 8.120 1.00 0.00 H new ATOM 0 HB2 SER A 97 112.282 9.076 9.958 1.00 0.00 H new ATOM 0 HB3 SER A 97 111.680 7.662 9.117 1.00 0.00 H new ATOM 0 HG SER A 97 113.973 7.534 9.520 1.00 0.00 H new ATOM 1492 N ARG A 98 112.845 11.593 8.345 1.00 0.00 N ATOM 1493 CA ARG A 98 113.826 12.701 8.147 1.00 0.00 C ATOM 1494 C ARG A 98 114.809 12.741 9.315 1.00 0.00 C ATOM 1495 O ARG A 98 114.443 12.564 10.460 1.00 0.00 O ATOM 1496 CB ARG A 98 113.088 14.038 8.066 1.00 0.00 C ATOM 1497 CG ARG A 98 112.121 14.027 6.865 1.00 0.00 C ATOM 1498 CD ARG A 98 110.681 13.682 7.295 1.00 0.00 C ATOM 1499 NE ARG A 98 109.773 14.823 6.952 1.00 0.00 N ATOM 1500 CZ ARG A 98 110.073 16.050 7.289 1.00 0.00 C ATOM 1501 NH1 ARG A 98 111.105 16.297 8.051 1.00 0.00 N ATOM 1502 NH2 ARG A 98 109.319 17.033 6.884 1.00 0.00 N ATOM 0 H ARG A 98 112.153 11.755 9.077 1.00 0.00 H new ATOM 0 HA ARG A 98 114.371 12.527 7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 98 112.535 14.215 8.988 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.804 14.853 7.961 1.00 0.00 H new ATOM 0 HG2 ARG A 98 112.132 15.003 6.380 1.00 0.00 H new ATOM 0 HG3 ARG A 98 112.464 13.301 6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 98 110.347 12.774 6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 98 110.647 13.485 8.366 1.00 0.00 H new ATOM 0 HE ARG A 98 108.906 14.639 6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 98 111.685 15.529 8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 98 111.331 17.258 8.308 1.00 0.00 H new ATOM 0 HH21 ARG A 98 108.500 16.843 6.307 1.00 0.00 H new ATOM 0 HH22 ARG A 98 109.548 17.992 7.144 1.00 0.00 H new ATOM 1516 N LEU A 99 116.052 12.974 9.026 1.00 0.00 N ATOM 1517 CA LEU A 99 117.075 13.030 10.111 1.00 0.00 C ATOM 1518 C LEU A 99 117.318 14.489 10.520 1.00 0.00 C ATOM 1519 O LEU A 99 117.349 15.366 9.681 1.00 0.00 O ATOM 1520 CB LEU A 99 118.393 12.445 9.603 1.00 0.00 C ATOM 1521 CG LEU A 99 118.222 10.959 9.286 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.537 10.409 8.728 1.00 0.00 C ATOM 1523 CD2 LEU A 99 117.853 10.194 10.565 1.00 0.00 C ATOM 0 H LEU A 99 116.411 13.129 8.084 1.00 0.00 H new ATOM 0 HA LEU A 99 116.714 12.458 10.966 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.717 12.980 8.710 1.00 0.00 H new ATOM 0 HB3 LEU A 99 119.172 12.577 10.354 1.00 0.00 H new ATOM 0 HG LEU A 99 117.427 10.835 8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.421 9.349 8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 99 119.800 10.949 7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.328 10.536 9.467 1.00 0.00 H new ATOM 0 HD21 LEU A 99 117.732 9.136 10.334 1.00 0.00 H new ATOM 0 HD22 LEU A 99 118.645 10.316 11.303 1.00 0.00 H new ATOM 0 HD23 LEU A 99 116.919 10.586 10.967 1.00 0.00 H new ATOM 1535 N PRO A 100 117.520 14.758 11.792 1.00 0.00 N ATOM 1536 CA PRO A 100 117.799 16.141 12.266 1.00 0.00 C ATOM 1537 C PRO A 100 118.837 16.833 11.379 1.00 0.00 C ATOM 1538 O PRO A 100 119.364 16.246 10.455 1.00 0.00 O ATOM 1539 CB PRO A 100 118.349 15.940 13.679 1.00 0.00 C ATOM 1540 CG PRO A 100 117.763 14.651 14.152 1.00 0.00 C ATOM 1541 CD PRO A 100 117.504 13.795 12.909 1.00 0.00 C ATOM 0 HA PRO A 100 116.913 16.775 12.239 1.00 0.00 H new ATOM 0 HB2 PRO A 100 119.438 15.898 13.675 1.00 0.00 H new ATOM 0 HB3 PRO A 100 118.064 16.765 14.333 1.00 0.00 H new ATOM 0 HG2 PRO A 100 118.446 14.144 14.834 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.837 14.826 14.700 1.00 0.00 H new ATOM 0 HD2 PRO A 100 118.271 13.031 12.786 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.547 13.278 12.975 1.00 0.00 H new ATOM 1549 N SER A 101 119.134 18.073 11.643 1.00 0.00 N ATOM 1550 CA SER A 101 120.137 18.787 10.806 1.00 0.00 C ATOM 1551 C SER A 101 121.548 18.500 11.331 1.00 0.00 C ATOM 1552 O SER A 101 122.532 18.856 10.713 1.00 0.00 O ATOM 1553 CB SER A 101 119.870 20.291 10.864 1.00 0.00 C ATOM 1554 OG SER A 101 120.120 20.762 12.181 1.00 0.00 O ATOM 0 H SER A 101 118.727 18.622 12.400 1.00 0.00 H new ATOM 0 HA SER A 101 120.058 18.440 9.776 1.00 0.00 H new ATOM 0 HB2 SER A 101 120.509 20.813 10.151 1.00 0.00 H new ATOM 0 HB3 SER A 101 118.839 20.500 10.580 1.00 0.00 H new ATOM 0 HG SER A 101 119.951 21.727 12.221 1.00 0.00 H new ATOM 1560 N LEU A 102 121.655 17.875 12.474 1.00 0.00 N ATOM 1561 CA LEU A 102 123.006 17.586 13.043 1.00 0.00 C ATOM 1562 C LEU A 102 123.050 16.181 13.652 1.00 0.00 C ATOM 1563 O LEU A 102 122.204 15.804 14.439 1.00 0.00 O ATOM 1564 CB LEU A 102 123.314 18.619 14.129 1.00 0.00 C ATOM 1565 CG LEU A 102 124.683 18.333 14.750 1.00 0.00 C ATOM 1566 CD1 LEU A 102 125.757 18.328 13.658 1.00 0.00 C ATOM 1567 CD2 LEU A 102 125.006 19.423 15.775 1.00 0.00 C ATOM 0 H LEU A 102 120.868 17.553 13.037 1.00 0.00 H new ATOM 0 HA LEU A 102 123.747 17.639 12.245 1.00 0.00 H new ATOM 0 HB2 LEU A 102 123.301 19.622 13.702 1.00 0.00 H new ATOM 0 HB3 LEU A 102 122.543 18.590 14.899 1.00 0.00 H new ATOM 0 HG LEU A 102 124.664 17.359 15.239 1.00 0.00 H new ATOM 0 HD11 LEU A 102 126.730 18.124 14.105 1.00 0.00 H new ATOM 0 HD12 LEU A 102 125.526 17.556 12.924 1.00 0.00 H new ATOM 0 HD13 LEU A 102 125.781 19.301 13.166 1.00 0.00 H new ATOM 0 HD21 LEU A 102 125.980 19.225 16.222 1.00 0.00 H new ATOM 0 HD22 LEU A 102 125.024 20.394 15.280 1.00 0.00 H new ATOM 0 HD23 LEU A 102 124.244 19.427 16.554 1.00 0.00 H new ATOM 1579 N ILE A 103 124.048 15.409 13.308 1.00 0.00 N ATOM 1580 CA ILE A 103 124.181 14.036 13.881 1.00 0.00 C ATOM 1581 C ILE A 103 125.667 13.695 14.010 1.00 0.00 C ATOM 1582 O ILE A 103 126.323 13.369 13.040 1.00 0.00 O ATOM 1583 CB ILE A 103 123.500 13.006 12.971 1.00 0.00 C ATOM 1584 CG1 ILE A 103 121.980 13.196 13.021 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.852 11.592 13.442 1.00 0.00 C ATOM 1586 CD1 ILE A 103 121.308 12.256 12.016 1.00 0.00 C ATOM 0 H ILE A 103 124.782 15.673 12.650 1.00 0.00 H new ATOM 0 HA ILE A 103 123.701 14.009 14.859 1.00 0.00 H new ATOM 0 HB ILE A 103 123.848 13.146 11.948 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.611 12.992 14.026 1.00 0.00 H new ATOM 0 HG13 ILE A 103 121.726 14.231 12.792 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.367 10.862 12.794 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.932 11.453 13.401 1.00 0.00 H new ATOM 0 HG23 ILE A 103 123.507 11.453 14.467 1.00 0.00 H new ATOM 0 HD11 ILE A 103 120.227 12.394 12.055 1.00 0.00 H new ATOM 0 HD12 ILE A 103 121.667 12.481 11.012 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.551 11.223 12.265 1.00 0.00 H new ATOM 1598 N SER A 104 126.209 13.769 15.196 1.00 0.00 N ATOM 1599 CA SER A 104 127.657 13.453 15.377 1.00 0.00 C ATOM 1600 C SER A 104 127.814 12.029 15.919 1.00 0.00 C ATOM 1601 O SER A 104 128.913 11.541 16.094 1.00 0.00 O ATOM 1602 CB SER A 104 128.273 14.443 16.365 1.00 0.00 C ATOM 1603 OG SER A 104 127.709 14.235 17.653 1.00 0.00 O ATOM 0 H SER A 104 125.713 14.034 16.047 1.00 0.00 H new ATOM 0 HA SER A 104 128.165 13.530 14.416 1.00 0.00 H new ATOM 0 HB2 SER A 104 129.354 14.311 16.403 1.00 0.00 H new ATOM 0 HB3 SER A 104 128.088 15.465 16.036 1.00 0.00 H new ATOM 0 HG SER A 104 128.104 14.868 18.289 1.00 0.00 H new ATOM 1609 N ASP A 105 126.727 11.364 16.188 1.00 0.00 N ATOM 1610 CA ASP A 105 126.813 9.975 16.722 1.00 0.00 C ATOM 1611 C ASP A 105 127.025 8.980 15.575 1.00 0.00 C ATOM 1612 O ASP A 105 126.602 9.202 14.458 1.00 0.00 O ATOM 1613 CB ASP A 105 125.520 9.635 17.467 1.00 0.00 C ATOM 1614 CG ASP A 105 125.534 10.284 18.852 1.00 0.00 C ATOM 1615 OD1 ASP A 105 126.597 10.704 19.280 1.00 0.00 O ATOM 1616 OD2 ASP A 105 124.481 10.349 19.463 1.00 0.00 O ATOM 0 H ASP A 105 125.780 11.722 16.061 1.00 0.00 H new ATOM 0 HA ASP A 105 127.658 9.908 17.407 1.00 0.00 H new ATOM 0 HB2 ASP A 105 124.659 9.987 16.899 1.00 0.00 H new ATOM 0 HB3 ASP A 105 125.418 8.554 17.563 1.00 0.00 H new ATOM 1621 N ASN A 106 127.675 7.883 15.853 1.00 0.00 N ATOM 1622 CA ASN A 106 127.920 6.856 14.797 1.00 0.00 C ATOM 1623 C ASN A 106 126.885 5.737 14.936 1.00 0.00 C ATOM 1624 O ASN A 106 127.159 4.586 14.658 1.00 0.00 O ATOM 1625 CB ASN A 106 129.320 6.264 14.968 1.00 0.00 C ATOM 1626 CG ASN A 106 130.373 7.344 14.718 1.00 0.00 C ATOM 1627 OD1 ASN A 106 130.216 8.175 13.846 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.450 7.366 15.454 1.00 0.00 N ATOM 0 H ASN A 106 128.050 7.651 16.773 1.00 0.00 H new ATOM 0 HA ASN A 106 127.839 7.321 13.814 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.433 5.859 15.974 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.462 5.437 14.273 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.160 8.081 15.297 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.582 6.668 16.186 1.00 0.00 H new ATOM 1635 N TRP A 107 125.705 6.061 15.389 1.00 0.00 N ATOM 1636 CA TRP A 107 124.660 5.013 15.575 1.00 0.00 C ATOM 1637 C TRP A 107 124.228 4.437 14.225 1.00 0.00 C ATOM 1638 O TRP A 107 124.422 5.031 13.184 1.00 0.00 O ATOM 1639 CB TRP A 107 123.444 5.616 16.285 1.00 0.00 C ATOM 1640 CG TRP A 107 122.825 6.677 15.429 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.364 7.891 15.191 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.557 6.647 14.711 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.516 8.607 14.368 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.387 7.885 14.044 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.550 5.677 14.573 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.260 8.149 13.268 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.413 5.942 13.794 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.269 7.173 13.144 1.00 0.00 C ATOM 0 H TRP A 107 125.418 7.007 15.639 1.00 0.00 H new ATOM 0 HA TRP A 107 125.079 4.210 16.181 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.713 4.836 16.497 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.745 6.040 17.243 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.307 8.246 15.581 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.703 9.555 14.040 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.651 4.723 15.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.154 9.100 12.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.644 5.191 13.695 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.391 7.368 12.546 1.00 0.00 H new ATOM 1659 N LYS A 108 123.644 3.270 14.249 1.00 0.00 N ATOM 1660 CA LYS A 108 123.187 2.620 12.989 1.00 0.00 C ATOM 1661 C LYS A 108 121.887 1.865 13.261 1.00 0.00 C ATOM 1662 O LYS A 108 121.589 1.520 14.387 1.00 0.00 O ATOM 1663 CB LYS A 108 124.258 1.641 12.503 1.00 0.00 C ATOM 1664 CG LYS A 108 124.418 0.504 13.520 1.00 0.00 C ATOM 1665 CD LYS A 108 125.534 -0.442 13.070 1.00 0.00 C ATOM 1666 CE LYS A 108 125.056 -1.281 11.882 1.00 0.00 C ATOM 1667 NZ LYS A 108 125.986 -2.428 11.680 1.00 0.00 N ATOM 0 H LYS A 108 123.462 2.734 15.098 1.00 0.00 H new ATOM 0 HA LYS A 108 123.018 3.377 12.223 1.00 0.00 H new ATOM 0 HB2 LYS A 108 123.979 1.235 11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 108 125.207 2.161 12.372 1.00 0.00 H new ATOM 0 HG2 LYS A 108 124.650 0.913 14.503 1.00 0.00 H new ATOM 0 HG3 LYS A 108 123.481 -0.044 13.616 1.00 0.00 H new ATOM 0 HD2 LYS A 108 126.418 0.131 12.790 1.00 0.00 H new ATOM 0 HD3 LYS A 108 125.825 -1.094 13.894 1.00 0.00 H new ATOM 0 HE2 LYS A 108 124.045 -1.646 12.064 1.00 0.00 H new ATOM 0 HE3 LYS A 108 125.017 -0.668 10.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 125.663 -2.999 10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 126.943 -2.069 11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 126.002 -3.017 12.537 1.00 0.00 H new ATOM 1681 N PHE A 109 121.112 1.589 12.247 1.00 0.00 N ATOM 1682 CA PHE A 109 119.841 0.841 12.477 1.00 0.00 C ATOM 1683 C PHE A 109 119.495 0.061 11.206 1.00 0.00 C ATOM 1684 O PHE A 109 120.013 0.342 10.142 1.00 0.00 O ATOM 1685 CB PHE A 109 118.714 1.821 12.818 1.00 0.00 C ATOM 1686 CG PHE A 109 118.259 2.544 11.574 1.00 0.00 C ATOM 1687 CD1 PHE A 109 117.275 1.974 10.758 1.00 0.00 C ATOM 1688 CD2 PHE A 109 118.808 3.787 11.244 1.00 0.00 C ATOM 1689 CE1 PHE A 109 116.840 2.647 9.611 1.00 0.00 C ATOM 1690 CE2 PHE A 109 118.374 4.460 10.096 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.389 3.890 9.280 1.00 0.00 C ATOM 0 H PHE A 109 121.300 1.846 11.278 1.00 0.00 H new ATOM 0 HA PHE A 109 119.962 0.150 13.311 1.00 0.00 H new ATOM 0 HB2 PHE A 109 117.876 1.283 13.262 1.00 0.00 H new ATOM 0 HB3 PHE A 109 119.060 2.541 13.560 1.00 0.00 H new ATOM 0 HD1 PHE A 109 116.851 1.014 11.014 1.00 0.00 H new ATOM 0 HD2 PHE A 109 119.566 4.227 11.874 1.00 0.00 H new ATOM 0 HE1 PHE A 109 116.081 2.207 8.982 1.00 0.00 H new ATOM 0 HE2 PHE A 109 118.799 5.419 9.839 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.053 4.410 8.395 1.00 0.00 H new ATOM 1701 N PHE A 110 118.641 -0.925 11.295 1.00 0.00 N ATOM 1702 CA PHE A 110 118.309 -1.704 10.067 1.00 0.00 C ATOM 1703 C PHE A 110 116.902 -2.311 10.142 1.00 0.00 C ATOM 1704 O PHE A 110 116.344 -2.514 11.202 1.00 0.00 O ATOM 1705 CB PHE A 110 119.341 -2.826 9.897 1.00 0.00 C ATOM 1706 CG PHE A 110 119.508 -3.563 11.204 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.246 -2.982 12.241 1.00 0.00 C ATOM 1708 CD2 PHE A 110 118.929 -4.826 11.378 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.403 -3.662 13.453 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.088 -5.507 12.590 1.00 0.00 C ATOM 1711 CZ PHE A 110 119.824 -4.926 13.627 1.00 0.00 C ATOM 0 H PHE A 110 118.167 -1.220 12.148 1.00 0.00 H new ATOM 0 HA PHE A 110 118.333 -1.026 9.214 1.00 0.00 H new ATOM 0 HB2 PHE A 110 119.018 -3.516 9.118 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.297 -2.410 9.578 1.00 0.00 H new ATOM 0 HD1 PHE A 110 120.694 -2.009 12.106 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.360 -5.274 10.577 1.00 0.00 H new ATOM 0 HE1 PHE A 110 120.970 -3.213 14.255 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.642 -6.481 12.724 1.00 0.00 H new ATOM 0 HZ PHE A 110 119.946 -5.452 14.562 1.00 0.00 H new ATOM 1721 N CYS A 111 116.348 -2.626 8.998 1.00 0.00 N ATOM 1722 CA CYS A 111 114.995 -3.254 8.935 1.00 0.00 C ATOM 1723 C CYS A 111 115.115 -4.559 8.143 1.00 0.00 C ATOM 1724 O CYS A 111 116.040 -4.732 7.372 1.00 0.00 O ATOM 1725 CB CYS A 111 114.015 -2.317 8.223 1.00 0.00 C ATOM 1726 SG CYS A 111 113.730 -0.843 9.232 1.00 0.00 S ATOM 0 H CYS A 111 116.785 -2.471 8.090 1.00 0.00 H new ATOM 0 HA CYS A 111 114.626 -3.447 9.942 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.414 -2.031 7.250 1.00 0.00 H new ATOM 0 HB3 CYS A 111 113.072 -2.832 8.042 1.00 0.00 H new ATOM 1731 N VAL A 112 114.219 -5.493 8.338 1.00 0.00 N ATOM 1732 CA VAL A 112 114.328 -6.794 7.605 1.00 0.00 C ATOM 1733 C VAL A 112 113.011 -7.175 6.922 1.00 0.00 C ATOM 1734 O VAL A 112 111.934 -7.023 7.465 1.00 0.00 O ATOM 1735 CB VAL A 112 114.721 -7.897 8.590 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.536 -9.263 7.922 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.190 -7.722 8.980 1.00 0.00 C ATOM 0 H VAL A 112 113.421 -5.414 8.968 1.00 0.00 H new ATOM 0 HA VAL A 112 115.088 -6.681 6.832 1.00 0.00 H new ATOM 0 HB VAL A 112 114.093 -7.836 9.479 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.815 -10.051 8.622 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.493 -9.388 7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.168 -9.323 7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.476 -8.505 9.682 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.814 -7.788 8.088 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.329 -6.747 9.448 1.00 0.00 H new ATOM 1747 N CYS A 113 113.113 -7.713 5.730 1.00 0.00 N ATOM 1748 CA CYS A 113 111.911 -8.173 4.977 1.00 0.00 C ATOM 1749 C CYS A 113 112.136 -9.649 4.633 1.00 0.00 C ATOM 1750 O CYS A 113 113.205 -10.020 4.188 1.00 0.00 O ATOM 1751 CB CYS A 113 111.766 -7.365 3.684 1.00 0.00 C ATOM 1752 SG CYS A 113 111.521 -5.615 4.074 1.00 0.00 S ATOM 0 H CYS A 113 113.997 -7.854 5.241 1.00 0.00 H new ATOM 0 HA CYS A 113 111.007 -8.039 5.571 1.00 0.00 H new ATOM 0 HB2 CYS A 113 112.656 -7.488 3.067 1.00 0.00 H new ATOM 0 HB3 CYS A 113 110.922 -7.739 3.104 1.00 0.00 H new ATOM 1757 N SER A 114 111.175 -10.511 4.845 1.00 0.00 N ATOM 1758 CA SER A 114 111.424 -11.947 4.527 1.00 0.00 C ATOM 1759 C SER A 114 110.134 -12.771 4.587 1.00 0.00 C ATOM 1760 O SER A 114 109.069 -12.278 4.908 1.00 0.00 O ATOM 1761 CB SER A 114 112.414 -12.512 5.545 1.00 0.00 C ATOM 1762 OG SER A 114 111.803 -12.525 6.828 1.00 0.00 O ATOM 0 H SER A 114 110.251 -10.290 5.215 1.00 0.00 H new ATOM 0 HA SER A 114 111.822 -12.008 3.514 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.712 -13.521 5.260 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.320 -11.906 5.566 1.00 0.00 H new ATOM 0 HG SER A 114 112.432 -12.888 7.486 1.00 0.00 H new ATOM 1768 N LYS A 115 110.255 -14.038 4.286 1.00 0.00 N ATOM 1769 CA LYS A 115 109.092 -14.970 4.329 1.00 0.00 C ATOM 1770 C LYS A 115 109.627 -16.381 4.586 1.00 0.00 C ATOM 1771 O LYS A 115 110.800 -16.645 4.415 1.00 0.00 O ATOM 1772 CB LYS A 115 108.331 -14.961 3.001 1.00 0.00 C ATOM 1773 CG LYS A 115 107.476 -13.697 2.886 1.00 0.00 C ATOM 1774 CD LYS A 115 106.381 -13.927 1.840 1.00 0.00 C ATOM 1775 CE LYS A 115 107.008 -14.423 0.533 1.00 0.00 C ATOM 1776 NZ LYS A 115 107.107 -15.909 0.562 1.00 0.00 N ATOM 0 H LYS A 115 111.133 -14.474 4.006 1.00 0.00 H new ATOM 0 HA LYS A 115 108.408 -14.655 5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 115 109.035 -15.008 2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.697 -15.845 2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 115 107.030 -13.456 3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 115 108.097 -12.848 2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 115 105.661 -14.657 2.209 1.00 0.00 H new ATOM 0 HD3 LYS A 115 105.834 -13.001 1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 115 106.404 -14.105 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 115 107.997 -13.984 0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 107.485 -16.249 -0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 107.742 -16.200 1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 106.163 -16.317 0.718 1.00 0.00 H new ATOM 1790 N ASP A 116 108.789 -17.293 4.988 1.00 0.00 N ATOM 1791 CA ASP A 116 109.276 -18.677 5.240 1.00 0.00 C ATOM 1792 C ASP A 116 109.908 -19.229 3.955 1.00 0.00 C ATOM 1793 O ASP A 116 109.559 -18.829 2.863 1.00 0.00 O ATOM 1794 CB ASP A 116 108.103 -19.566 5.662 1.00 0.00 C ATOM 1795 CG ASP A 116 107.663 -19.188 7.079 1.00 0.00 C ATOM 1796 OD1 ASP A 116 108.424 -18.512 7.753 1.00 0.00 O ATOM 1797 OD2 ASP A 116 106.575 -19.579 7.464 1.00 0.00 O ATOM 0 H ASP A 116 107.794 -17.142 5.152 1.00 0.00 H new ATOM 0 HA ASP A 116 110.019 -18.665 6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 116 107.272 -19.445 4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 116 108.397 -20.615 5.628 1.00 0.00 H new ATOM 1802 N ASN A 117 110.831 -20.145 4.076 1.00 0.00 N ATOM 1803 CA ASN A 117 111.475 -20.720 2.856 1.00 0.00 C ATOM 1804 C ASN A 117 111.811 -19.594 1.875 1.00 0.00 C ATOM 1805 O ASN A 117 111.354 -19.596 0.749 1.00 0.00 O ATOM 1806 CB ASN A 117 110.516 -21.708 2.185 1.00 0.00 C ATOM 1807 CG ASN A 117 111.279 -22.536 1.148 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.439 -22.844 1.335 1.00 0.00 O ATOM 1809 ND2 ASN A 117 110.672 -22.912 0.055 1.00 0.00 N ATOM 0 H ASN A 117 111.167 -20.520 4.963 1.00 0.00 H new ATOM 0 HA ASN A 117 112.390 -21.239 3.143 1.00 0.00 H new ATOM 0 HB2 ASN A 117 110.070 -22.364 2.933 1.00 0.00 H new ATOM 0 HB3 ASN A 117 109.699 -21.169 1.706 1.00 0.00 H new ATOM 0 HD21 ASN A 117 111.172 -23.464 -0.642 1.00 0.00 H new ATOM 0 HD22 ASN A 117 109.698 -22.653 -0.102 1.00 0.00 H new ATOM 1816 N GLU A 118 112.617 -18.644 2.278 1.00 0.00 N ATOM 1817 CA GLU A 118 112.978 -17.527 1.352 1.00 0.00 C ATOM 1818 C GLU A 118 114.188 -16.760 1.896 1.00 0.00 C ATOM 1819 O GLU A 118 114.353 -16.603 3.090 1.00 0.00 O ATOM 1820 CB GLU A 118 111.798 -16.554 1.232 1.00 0.00 C ATOM 1821 CG GLU A 118 110.711 -17.129 0.316 1.00 0.00 C ATOM 1822 CD GLU A 118 109.845 -15.992 -0.228 1.00 0.00 C ATOM 1823 OE1 GLU A 118 110.127 -14.848 0.093 1.00 0.00 O ATOM 1824 OE2 GLU A 118 108.913 -16.284 -0.958 1.00 0.00 O ATOM 0 H GLU A 118 113.039 -18.593 3.205 1.00 0.00 H new ATOM 0 HA GLU A 118 113.219 -17.949 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.381 -16.357 2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 118 112.146 -15.600 0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 118 111.168 -17.678 -0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 118 110.094 -17.838 0.868 1.00 0.00 H new ATOM 1831 N LYS A 119 115.033 -16.266 1.025 1.00 0.00 N ATOM 1832 CA LYS A 119 116.224 -15.498 1.491 1.00 0.00 C ATOM 1833 C LYS A 119 115.751 -14.211 2.177 1.00 0.00 C ATOM 1834 O LYS A 119 114.890 -13.513 1.679 1.00 0.00 O ATOM 1835 CB LYS A 119 117.104 -15.140 0.286 1.00 0.00 C ATOM 1836 CG LYS A 119 117.700 -16.416 -0.318 1.00 0.00 C ATOM 1837 CD LYS A 119 118.585 -16.052 -1.514 1.00 0.00 C ATOM 1838 CE LYS A 119 119.197 -17.323 -2.106 1.00 0.00 C ATOM 1839 NZ LYS A 119 120.057 -16.965 -3.271 1.00 0.00 N ATOM 0 H LYS A 119 114.948 -16.362 0.013 1.00 0.00 H new ATOM 0 HA LYS A 119 116.800 -16.101 2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.513 -14.613 -0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 119 117.902 -14.465 0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 119 118.286 -16.947 0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 119 116.902 -17.088 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.996 -15.534 -2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 119 119.374 -15.368 -1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 119 119.787 -17.841 -1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 119 118.408 -18.007 -2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 120.473 -17.829 -3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 119.481 -16.488 -3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 120.817 -16.328 -2.959 1.00 0.00 H new ATOM 1853 N LYS A 120 116.300 -13.892 3.321 1.00 0.00 N ATOM 1854 CA LYS A 120 115.868 -12.655 4.038 1.00 0.00 C ATOM 1855 C LYS A 120 116.608 -11.430 3.482 1.00 0.00 C ATOM 1856 O LYS A 120 117.744 -11.510 3.059 1.00 0.00 O ATOM 1857 CB LYS A 120 116.153 -12.804 5.536 1.00 0.00 C ATOM 1858 CG LYS A 120 117.649 -13.020 5.763 1.00 0.00 C ATOM 1859 CD LYS A 120 117.907 -13.250 7.255 1.00 0.00 C ATOM 1860 CE LYS A 120 119.400 -13.484 7.485 1.00 0.00 C ATOM 1861 NZ LYS A 120 119.657 -13.681 8.939 1.00 0.00 N ATOM 0 H LYS A 120 117.027 -14.433 3.789 1.00 0.00 H new ATOM 0 HA LYS A 120 114.798 -12.512 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 120 115.821 -11.913 6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 120 115.590 -13.645 5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 120 117.996 -13.877 5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.210 -12.153 5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 120 117.571 -12.387 7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 120 117.335 -14.109 7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 120 119.732 -14.358 6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 120 119.973 -12.633 7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 120.673 -13.840 9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 119.355 -12.835 9.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 119.122 -14.506 9.277 1.00 0.00 H new ATOM 1875 N LEU A 121 115.957 -10.297 3.491 1.00 0.00 N ATOM 1876 CA LEU A 121 116.602 -9.049 2.976 1.00 0.00 C ATOM 1877 C LEU A 121 116.865 -8.095 4.147 1.00 0.00 C ATOM 1878 O LEU A 121 115.961 -7.752 4.884 1.00 0.00 O ATOM 1879 CB LEU A 121 115.662 -8.376 1.973 1.00 0.00 C ATOM 1880 CG LEU A 121 115.371 -9.335 0.815 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.248 -8.761 -0.052 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.628 -9.509 -0.043 1.00 0.00 C ATOM 0 H LEU A 121 115.003 -10.180 3.833 1.00 0.00 H new ATOM 0 HA LEU A 121 117.545 -9.295 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.732 -8.092 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.115 -7.460 1.594 1.00 0.00 H new ATOM 0 HG LEU A 121 115.070 -10.302 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 121 114.040 -9.443 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.349 -8.637 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.554 -7.793 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.416 -10.192 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 121 116.932 -8.542 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.433 -9.917 0.569 1.00 0.00 H new ATOM 1894 N VAL A 122 118.090 -7.665 4.335 1.00 0.00 N ATOM 1895 CA VAL A 122 118.394 -6.744 5.473 1.00 0.00 C ATOM 1896 C VAL A 122 118.695 -5.334 4.953 1.00 0.00 C ATOM 1897 O VAL A 122 119.503 -5.135 4.068 1.00 0.00 O ATOM 1898 CB VAL A 122 119.617 -7.269 6.238 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.126 -6.182 7.192 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.236 -8.524 7.044 1.00 0.00 C ATOM 0 H VAL A 122 118.889 -7.912 3.751 1.00 0.00 H new ATOM 0 HA VAL A 122 117.528 -6.702 6.133 1.00 0.00 H new ATOM 0 HB VAL A 122 120.400 -7.528 5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 122 120.995 -6.553 7.736 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.407 -5.298 6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.339 -5.921 7.899 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.110 -8.889 7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.449 -8.274 7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.879 -9.298 6.365 1.00 0.00 H new ATOM 1910 N PHE A 123 118.057 -4.350 5.521 1.00 0.00 N ATOM 1911 CA PHE A 123 118.302 -2.940 5.103 1.00 0.00 C ATOM 1912 C PHE A 123 119.050 -2.243 6.239 1.00 0.00 C ATOM 1913 O PHE A 123 118.572 -2.212 7.349 1.00 0.00 O ATOM 1914 CB PHE A 123 116.954 -2.255 4.869 1.00 0.00 C ATOM 1915 CG PHE A 123 117.152 -0.772 4.681 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.800 -0.301 3.539 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.672 0.130 5.638 1.00 0.00 C ATOM 1918 CE1 PHE A 123 117.973 1.073 3.347 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.845 1.507 5.450 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.496 1.980 4.304 1.00 0.00 C ATOM 0 H PHE A 123 117.369 -4.463 6.265 1.00 0.00 H new ATOM 0 HA PHE A 123 118.888 -2.896 4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.469 -2.679 3.990 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.293 -2.437 5.716 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.169 -0.999 2.802 1.00 0.00 H new ATOM 0 HD2 PHE A 123 116.169 -0.236 6.521 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.474 1.436 2.462 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.477 2.204 6.188 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.630 3.042 4.158 1.00 0.00 H new ATOM 1930 N THR A 124 120.230 -1.716 5.990 1.00 0.00 N ATOM 1931 CA THR A 124 120.992 -1.063 7.104 1.00 0.00 C ATOM 1932 C THR A 124 121.646 0.259 6.668 1.00 0.00 C ATOM 1933 O THR A 124 122.161 0.405 5.570 1.00 0.00 O ATOM 1934 CB THR A 124 122.079 -2.025 7.598 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.534 -1.609 8.877 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.250 -2.030 6.615 1.00 0.00 C ATOM 0 H THR A 124 120.690 -1.710 5.080 1.00 0.00 H new ATOM 0 HA THR A 124 120.284 -0.833 7.900 1.00 0.00 H new ATOM 0 HB THR A 124 121.665 -3.031 7.669 1.00 0.00 H new ATOM 0 HG1 THR A 124 123.228 -2.225 9.194 1.00 0.00 H new ATOM 0 HG21 THR A 124 124.020 -2.715 6.970 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.901 -2.354 5.635 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.665 -1.025 6.539 1.00 0.00 H new ATOM 1944 N VAL A 125 121.657 1.214 7.559 1.00 0.00 N ATOM 1945 CA VAL A 125 122.301 2.523 7.267 1.00 0.00 C ATOM 1946 C VAL A 125 123.075 2.963 8.516 1.00 0.00 C ATOM 1947 O VAL A 125 122.799 2.506 9.614 1.00 0.00 O ATOM 1948 CB VAL A 125 121.236 3.562 6.910 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.228 2.948 5.936 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.506 4.011 8.176 1.00 0.00 C ATOM 0 H VAL A 125 121.241 1.140 8.488 1.00 0.00 H new ATOM 0 HA VAL A 125 122.981 2.429 6.420 1.00 0.00 H new ATOM 0 HB VAL A 125 121.717 4.422 6.445 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.470 3.689 5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.744 2.632 5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.751 2.085 6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.749 4.751 7.916 1.00 0.00 H new ATOM 0 HG22 VAL A 125 120.027 3.151 8.644 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.221 4.452 8.871 1.00 0.00 H new ATOM 1960 N GLU A 126 124.039 3.835 8.368 1.00 0.00 N ATOM 1961 CA GLU A 126 124.827 4.284 9.557 1.00 0.00 C ATOM 1962 C GLU A 126 124.988 5.807 9.544 1.00 0.00 C ATOM 1963 O GLU A 126 124.928 6.442 8.510 1.00 0.00 O ATOM 1964 CB GLU A 126 126.208 3.629 9.522 1.00 0.00 C ATOM 1965 CG GLU A 126 126.987 4.006 10.785 1.00 0.00 C ATOM 1966 CD GLU A 126 127.598 5.402 10.623 1.00 0.00 C ATOM 1967 OE1 GLU A 126 127.633 5.888 9.504 1.00 0.00 O ATOM 1968 OE2 GLU A 126 128.018 5.961 11.623 1.00 0.00 O ATOM 0 H GLU A 126 124.314 4.254 7.480 1.00 0.00 H new ATOM 0 HA GLU A 126 124.298 3.992 10.464 1.00 0.00 H new ATOM 0 HB2 GLU A 126 126.106 2.546 9.455 1.00 0.00 H new ATOM 0 HB3 GLU A 126 126.753 3.953 8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 126 126.325 3.987 11.651 1.00 0.00 H new ATOM 0 HG3 GLU A 126 127.774 3.274 10.970 1.00 0.00 H new ATOM 1975 N ALA A 127 125.200 6.392 10.693 1.00 0.00 N ATOM 1976 CA ALA A 127 125.371 7.871 10.762 1.00 0.00 C ATOM 1977 C ALA A 127 125.986 8.249 12.112 1.00 0.00 C ATOM 1978 O ALA A 127 125.654 7.604 13.096 1.00 0.00 O ATOM 1979 CB ALA A 127 124.010 8.553 10.615 1.00 0.00 C ATOM 1980 OXT ALA A 127 126.778 9.176 12.140 1.00 0.00 O ATOM 0 H ALA A 127 125.262 5.907 11.588 1.00 0.00 H new ATOM 0 HA ALA A 127 126.028 8.197 9.956 1.00 0.00 H new ATOM 0 HB1 ALA A 127 124.138 9.634 10.666 1.00 0.00 H new ATOM 0 HB2 ALA A 127 123.570 8.284 9.655 1.00 0.00 H new ATOM 0 HB3 ALA A 127 123.351 8.227 11.420 1.00 0.00 H new