USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 981 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 68 MET CE :methyl -179:sc= 0 (180deg=-0.0032) USER MOD Set 1.2: A 74 CYS SG : rot 120:sc= 0.176 USER MOD Set 2.1: A 55 THR OG1 : rot 180:sc= 0.737 USER MOD Set 2.2: A 57 THR OG1 : rot -107:sc= 0.911 USER MOD Set 3.1: A 12 HIS : no HD1:sc= 0.63 K(o=1.6,f=-3.4) USER MOD Set 3.2: A 16 THR OG1 : rot -119:sc= 0.97 USER MOD Set 4.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0094 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 92:sc= 1.29 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 144:sc= -0.963 (180deg=-3.47!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 15:sc= 0.697 USER MOD Single : A 39 THR OG1 : rot 91:sc= 1.21 USER MOD Single : A 45 MET CE :methyl -166:sc= -0.244 (180deg=-0.451) USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.16) USER MOD Single : A 49 LYS NZ :NH3+ 158:sc= 1.22 (180deg=1.19) USER MOD Single : A 50 LYS NZ :NH3+ 158:sc= 0.555 (180deg=0.475) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 71:sc= 1.7 USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.12) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 170:sc= -0.101 (180deg=-0.196) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= 1.07 (180deg=0.743) USER MOD Single : A 98 SER OG : rot 180:sc= 0.682 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.00135 USER MOD Single : A 110 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.31) USER MOD Single : A 118 TYR OH : rot 100:sc= 0.453 USER MOD Single : A 124 TYR OH : rot 178:sc= 1.27 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.271 -15.477 -5.675 1.00 0.00 N ATOM 2 CA MET A 1 10.279 -14.822 -4.808 1.00 0.00 C ATOM 3 C MET A 1 10.058 -13.305 -4.800 1.00 0.00 C ATOM 4 O MET A 1 9.816 -12.702 -5.850 1.00 0.00 O ATOM 5 CB MET A 1 11.717 -15.186 -5.241 1.00 0.00 C ATOM 6 CG MET A 1 12.793 -14.606 -4.311 1.00 0.00 C ATOM 7 SD MET A 1 12.627 -15.066 -2.561 1.00 0.00 S ATOM 8 CE MET A 1 13.972 -14.072 -1.860 1.00 0.00 C ATOM 0 H1 MET A 1 9.741 -16.172 -6.290 1.00 0.00 H new ATOM 0 H2 MET A 1 8.565 -15.960 -5.083 1.00 0.00 H new ATOM 0 H3 MET A 1 8.799 -14.760 -6.261 1.00 0.00 H new ATOM 0 HA MET A 1 10.153 -15.191 -3.790 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.817 -16.271 -5.270 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.887 -14.823 -6.254 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.771 -14.931 -4.665 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.771 -13.519 -4.389 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.019 -14.231 -0.783 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.918 -14.370 -2.312 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.789 -13.017 -2.063 1.00 0.00 H new ATOM 20 N ALA A 2 10.152 -12.678 -3.622 1.00 0.00 N ATOM 21 CA ALA A 2 10.074 -11.234 -3.427 1.00 0.00 C ATOM 22 C ALA A 2 10.962 -10.865 -2.231 1.00 0.00 C ATOM 23 O ALA A 2 11.177 -11.700 -1.347 1.00 0.00 O ATOM 24 CB ALA A 2 8.616 -10.830 -3.171 1.00 0.00 C ATOM 0 H ALA A 2 10.290 -13.186 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 2 10.421 -10.704 -4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.558 -9.751 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.004 -11.114 -4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.249 -11.337 -2.279 1.00 0.00 H new ATOM 30 N SER A 3 11.429 -9.613 -2.178 1.00 0.00 N ATOM 31 CA SER A 3 12.391 -9.134 -1.174 1.00 0.00 C ATOM 32 C SER A 3 11.961 -7.787 -0.568 1.00 0.00 C ATOM 33 O SER A 3 12.767 -7.049 0.001 1.00 0.00 O ATOM 34 CB SER A 3 13.792 -9.066 -1.808 1.00 0.00 C ATOM 35 OG SER A 3 14.130 -10.281 -2.464 1.00 0.00 O ATOM 0 H SER A 3 11.146 -8.891 -2.841 1.00 0.00 H new ATOM 0 HA SER A 3 12.419 -9.839 -0.343 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.829 -8.244 -2.523 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.531 -8.851 -1.036 1.00 0.00 H new ATOM 0 HG SER A 3 15.024 -10.203 -2.857 1.00 0.00 H new ATOM 41 N VAL A 4 10.674 -7.464 -0.702 1.00 0.00 N ATOM 42 CA VAL A 4 10.045 -6.232 -0.231 1.00 0.00 C ATOM 43 C VAL A 4 9.923 -6.168 1.301 1.00 0.00 C ATOM 44 O VAL A 4 9.694 -5.092 1.849 1.00 0.00 O ATOM 45 CB VAL A 4 8.668 -6.097 -0.911 1.00 0.00 C ATOM 46 CG1 VAL A 4 8.793 -5.709 -2.389 1.00 0.00 C ATOM 47 CG2 VAL A 4 7.821 -7.368 -0.809 1.00 0.00 C ATOM 0 H VAL A 4 10.011 -8.086 -1.165 1.00 0.00 H new ATOM 0 HA VAL A 4 10.683 -5.392 -0.505 1.00 0.00 H new ATOM 0 HB VAL A 4 8.163 -5.301 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.799 -5.625 -2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.308 -4.752 -2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.361 -6.474 -2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.864 -7.209 -1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.346 -8.194 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.649 -7.607 0.240 1.00 0.00 H new ATOM 57 N GLU A 5 10.074 -7.298 2.004 1.00 0.00 N ATOM 58 CA GLU A 5 10.113 -7.375 3.464 1.00 0.00 C ATOM 59 C GLU A 5 11.391 -6.691 3.986 1.00 0.00 C ATOM 60 O GLU A 5 12.408 -7.339 4.236 1.00 0.00 O ATOM 61 CB GLU A 5 9.924 -8.833 3.937 1.00 0.00 C ATOM 62 CG GLU A 5 10.796 -9.896 3.242 1.00 0.00 C ATOM 63 CD GLU A 5 10.510 -11.304 3.795 1.00 0.00 C ATOM 64 OE1 GLU A 5 11.095 -11.685 4.834 1.00 0.00 O ATOM 65 OE2 GLU A 5 9.724 -12.055 3.174 1.00 0.00 O ATOM 0 H GLU A 5 10.175 -8.209 1.556 1.00 0.00 H new ATOM 0 HA GLU A 5 9.277 -6.826 3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.124 -8.874 5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.878 -9.105 3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.607 -9.879 2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.849 -9.654 3.384 1.00 0.00 H new ATOM 72 N ARG A 6 11.359 -5.354 4.089 1.00 0.00 N ATOM 73 CA ARG A 6 12.546 -4.537 4.355 1.00 0.00 C ATOM 74 C ARG A 6 13.253 -4.893 5.663 1.00 0.00 C ATOM 75 O ARG A 6 14.468 -4.719 5.758 1.00 0.00 O ATOM 76 CB ARG A 6 12.226 -3.029 4.236 1.00 0.00 C ATOM 77 CG ARG A 6 11.726 -2.288 5.493 1.00 0.00 C ATOM 78 CD ARG A 6 10.359 -2.734 6.028 1.00 0.00 C ATOM 79 NE ARG A 6 9.996 -1.969 7.233 1.00 0.00 N ATOM 80 CZ ARG A 6 9.156 -0.927 7.315 1.00 0.00 C ATOM 81 NH1 ARG A 6 8.580 -0.393 6.244 1.00 0.00 N ATOM 82 NH2 ARG A 6 8.868 -0.429 8.510 1.00 0.00 N ATOM 0 H ARG A 6 10.503 -4.809 3.989 1.00 0.00 H new ATOM 0 HA ARG A 6 13.269 -4.778 3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.127 -2.524 3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 6 11.473 -2.909 3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 6 12.464 -2.414 6.285 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.678 -1.222 5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.599 -2.594 5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.384 -3.799 6.261 1.00 0.00 H new ATOM 0 HE ARG A 6 10.434 -2.266 8.105 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.771 -0.776 5.318 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.946 0.400 6.348 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.283 -0.838 9.347 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.231 0.363 8.592 1.00 0.00 H new ATOM 96 N ASP A 7 12.513 -5.384 6.658 1.00 0.00 N ATOM 97 CA ASP A 7 13.032 -5.834 7.943 1.00 0.00 C ATOM 98 C ASP A 7 11.981 -6.742 8.581 1.00 0.00 C ATOM 99 O ASP A 7 10.785 -6.587 8.307 1.00 0.00 O ATOM 100 CB ASP A 7 13.309 -4.628 8.853 1.00 0.00 C ATOM 101 CG ASP A 7 13.907 -5.075 10.192 1.00 0.00 C ATOM 102 OD1 ASP A 7 15.126 -5.346 10.254 1.00 0.00 O ATOM 103 OD2 ASP A 7 13.144 -5.171 11.176 1.00 0.00 O ATOM 0 H ASP A 7 11.500 -5.481 6.585 1.00 0.00 H new ATOM 0 HA ASP A 7 13.968 -6.376 7.804 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.995 -3.942 8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 7 12.383 -4.081 9.029 1.00 0.00 H new ATOM 108 N GLU A 8 12.407 -7.658 9.454 1.00 0.00 N ATOM 109 CA GLU A 8 11.535 -8.584 10.182 1.00 0.00 C ATOM 110 C GLU A 8 10.467 -7.861 11.016 1.00 0.00 C ATOM 111 O GLU A 8 9.454 -8.468 11.356 1.00 0.00 O ATOM 112 CB GLU A 8 12.373 -9.515 11.074 1.00 0.00 C ATOM 113 CG GLU A 8 13.288 -10.441 10.259 1.00 0.00 C ATOM 114 CD GLU A 8 14.056 -11.416 11.170 1.00 0.00 C ATOM 115 OE1 GLU A 8 15.164 -11.075 11.643 1.00 0.00 O ATOM 116 OE2 GLU A 8 13.571 -12.546 11.410 1.00 0.00 O ATOM 0 H GLU A 8 13.394 -7.780 9.680 1.00 0.00 H new ATOM 0 HA GLU A 8 11.005 -9.176 9.436 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.980 -8.915 11.752 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.707 -10.118 11.691 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.692 -11.004 9.541 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.996 -9.843 9.685 1.00 0.00 H new ATOM 123 N THR A 9 10.651 -6.569 11.304 1.00 0.00 N ATOM 124 CA THR A 9 9.648 -5.688 11.891 1.00 0.00 C ATOM 125 C THR A 9 8.286 -5.870 11.211 1.00 0.00 C ATOM 126 O THR A 9 7.274 -6.038 11.896 1.00 0.00 O ATOM 127 CB THR A 9 10.170 -4.245 11.748 1.00 0.00 C ATOM 128 OG1 THR A 9 11.288 -4.052 12.586 1.00 0.00 O ATOM 129 CG2 THR A 9 9.135 -3.148 12.020 1.00 0.00 C ATOM 0 H THR A 9 11.536 -6.095 11.127 1.00 0.00 H new ATOM 0 HA THR A 9 9.493 -5.927 12.943 1.00 0.00 H new ATOM 0 HB THR A 9 10.439 -4.143 10.697 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.109 -4.247 12.087 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.600 -2.170 11.894 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.305 -3.249 11.320 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.763 -3.244 13.040 1.00 0.00 H new ATOM 137 N ARG A 10 8.235 -5.851 9.873 1.00 0.00 N ATOM 138 CA ARG A 10 6.955 -5.918 9.173 1.00 0.00 C ATOM 139 C ARG A 10 6.371 -7.320 9.273 1.00 0.00 C ATOM 140 O ARG A 10 5.174 -7.437 9.508 1.00 0.00 O ATOM 141 CB ARG A 10 7.106 -5.422 7.724 1.00 0.00 C ATOM 142 CG ARG A 10 7.089 -3.881 7.683 1.00 0.00 C ATOM 143 CD ARG A 10 5.654 -3.329 7.730 1.00 0.00 C ATOM 144 NE ARG A 10 5.563 -1.991 8.348 1.00 0.00 N ATOM 145 CZ ARG A 10 4.534 -1.536 9.080 1.00 0.00 C ATOM 146 NH1 ARG A 10 3.399 -2.218 9.198 1.00 0.00 N ATOM 147 NH2 ARG A 10 4.653 -0.378 9.717 1.00 0.00 N ATOM 0 H ARG A 10 9.052 -5.791 9.266 1.00 0.00 H new ATOM 0 HA ARG A 10 6.240 -5.249 9.653 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.039 -5.794 7.300 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.297 -5.818 7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.658 -3.488 8.525 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.583 -3.535 6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.257 -3.281 6.716 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.023 -4.022 8.287 1.00 0.00 H new ATOM 0 HE ARG A 10 6.350 -1.358 8.206 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.291 -3.115 8.724 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.636 -1.844 9.762 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.519 0.156 9.647 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.878 -0.022 10.276 1.00 0.00 H new ATOM 161 N GLU A 11 7.189 -8.369 9.195 1.00 0.00 N ATOM 162 CA GLU A 11 6.730 -9.743 9.385 1.00 0.00 C ATOM 163 C GLU A 11 6.114 -9.912 10.775 1.00 0.00 C ATOM 164 O GLU A 11 5.040 -10.502 10.907 1.00 0.00 O ATOM 165 CB GLU A 11 7.888 -10.741 9.198 1.00 0.00 C ATOM 166 CG GLU A 11 8.606 -10.620 7.849 1.00 0.00 C ATOM 167 CD GLU A 11 7.613 -10.668 6.683 1.00 0.00 C ATOM 168 OE1 GLU A 11 7.125 -11.765 6.329 1.00 0.00 O ATOM 169 OE2 GLU A 11 7.288 -9.598 6.129 1.00 0.00 O ATOM 0 H GLU A 11 8.187 -8.290 8.999 1.00 0.00 H new ATOM 0 HA GLU A 11 5.970 -9.951 8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.613 -10.594 9.998 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.500 -11.754 9.302 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.165 -9.685 7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.330 -11.428 7.746 1.00 0.00 H new ATOM 176 N HIS A 12 6.768 -9.363 11.803 1.00 0.00 N ATOM 177 CA HIS A 12 6.280 -9.422 13.170 1.00 0.00 C ATOM 178 C HIS A 12 4.948 -8.682 13.271 1.00 0.00 C ATOM 179 O HIS A 12 3.992 -9.253 13.792 1.00 0.00 O ATOM 180 CB HIS A 12 7.328 -8.843 14.131 1.00 0.00 C ATOM 181 CG HIS A 12 7.044 -9.082 15.598 1.00 0.00 C ATOM 182 ND1 HIS A 12 5.817 -9.241 16.212 1.00 0.00 N ATOM 183 CD2 HIS A 12 7.992 -9.163 16.585 1.00 0.00 C ATOM 184 CE1 HIS A 12 6.025 -9.410 17.527 1.00 0.00 C ATOM 185 NE2 HIS A 12 7.341 -9.372 17.809 1.00 0.00 N ATOM 0 H HIS A 12 7.653 -8.865 11.703 1.00 0.00 H new ATOM 0 HA HIS A 12 6.112 -10.460 13.456 1.00 0.00 H new ATOM 0 HB2 HIS A 12 8.300 -9.273 13.889 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.403 -7.769 13.960 1.00 0.00 H new ATOM 0 HD2 HIS A 12 9.059 -9.080 16.444 1.00 0.00 H new ATOM 0 HE1 HIS A 12 5.244 -9.556 18.259 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.776 -9.474 18.726 1.00 0.00 H new ATOM 193 N ARG A 13 4.855 -7.445 12.761 1.00 0.00 N ATOM 194 CA ARG A 13 3.608 -6.685 12.821 1.00 0.00 C ATOM 195 C ARG A 13 2.498 -7.420 12.085 1.00 0.00 C ATOM 196 O ARG A 13 1.407 -7.520 12.631 1.00 0.00 O ATOM 197 CB ARG A 13 3.768 -5.260 12.269 1.00 0.00 C ATOM 198 CG ARG A 13 4.555 -4.353 13.225 1.00 0.00 C ATOM 199 CD ARG A 13 4.526 -2.905 12.721 1.00 0.00 C ATOM 200 NE ARG A 13 5.381 -2.022 13.532 1.00 0.00 N ATOM 201 CZ ARG A 13 5.064 -1.457 14.706 1.00 0.00 C ATOM 202 NH1 ARG A 13 3.884 -1.668 15.283 1.00 0.00 N ATOM 203 NH2 ARG A 13 5.949 -0.670 15.309 1.00 0.00 N ATOM 0 H ARG A 13 5.626 -6.956 12.306 1.00 0.00 H new ATOM 0 HA ARG A 13 3.337 -6.595 13.873 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.278 -5.300 11.307 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.783 -4.829 12.090 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.126 -4.407 14.226 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.586 -4.699 13.301 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.856 -2.876 11.683 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.501 -2.535 12.740 1.00 0.00 H new ATOM 0 HE ARG A 13 6.310 -1.819 13.163 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.196 -2.271 14.832 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.667 -1.226 16.176 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.858 -0.501 14.878 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.719 -0.235 16.202 1.00 0.00 H new ATOM 217 N ILE A 14 2.754 -7.967 10.895 1.00 0.00 N ATOM 218 CA ILE A 14 1.769 -8.755 10.164 1.00 0.00 C ATOM 219 C ILE A 14 1.229 -9.831 11.111 1.00 0.00 C ATOM 220 O ILE A 14 0.032 -9.849 11.413 1.00 0.00 O ATOM 221 CB ILE A 14 2.401 -9.292 8.853 1.00 0.00 C ATOM 222 CG1 ILE A 14 2.549 -8.142 7.830 1.00 0.00 C ATOM 223 CG2 ILE A 14 1.588 -10.433 8.218 1.00 0.00 C ATOM 224 CD1 ILE A 14 3.475 -8.473 6.653 1.00 0.00 C ATOM 0 H ILE A 14 3.649 -7.874 10.415 1.00 0.00 H new ATOM 0 HA ILE A 14 0.914 -8.160 9.843 1.00 0.00 H new ATOM 0 HB ILE A 14 3.377 -9.697 9.119 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.563 -7.884 7.443 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.931 -7.259 8.343 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.081 -10.766 7.304 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.521 -11.266 8.918 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.585 -10.077 7.981 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.527 -7.618 5.980 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.473 -8.701 7.028 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.084 -9.336 6.114 1.00 0.00 H new ATOM 236 N GLU A 15 2.115 -10.673 11.639 1.00 0.00 N ATOM 237 CA GLU A 15 1.731 -11.841 12.408 1.00 0.00 C ATOM 238 C GLU A 15 0.995 -11.487 13.707 1.00 0.00 C ATOM 239 O GLU A 15 0.025 -12.171 14.023 1.00 0.00 O ATOM 240 CB GLU A 15 3.004 -12.656 12.687 1.00 0.00 C ATOM 241 CG GLU A 15 2.758 -13.926 13.513 1.00 0.00 C ATOM 242 CD GLU A 15 1.816 -14.952 12.849 1.00 0.00 C ATOM 243 OE1 GLU A 15 1.816 -15.092 11.605 1.00 0.00 O ATOM 244 OE2 GLU A 15 1.101 -15.675 13.579 1.00 0.00 O ATOM 0 H GLU A 15 3.124 -10.558 11.541 1.00 0.00 H new ATOM 0 HA GLU A 15 1.018 -12.429 11.830 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.461 -12.934 11.738 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.720 -12.025 13.213 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.716 -14.407 13.710 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.340 -13.640 14.478 1.00 0.00 H new ATOM 251 N THR A 16 1.403 -10.452 14.450 1.00 0.00 N ATOM 252 CA THR A 16 0.880 -10.212 15.800 1.00 0.00 C ATOM 253 C THR A 16 -0.059 -9.000 15.895 1.00 0.00 C ATOM 254 O THR A 16 -0.705 -8.818 16.930 1.00 0.00 O ATOM 255 CB THR A 16 2.046 -10.132 16.806 1.00 0.00 C ATOM 256 OG1 THR A 16 2.941 -9.084 16.489 1.00 0.00 O ATOM 257 CG2 THR A 16 2.862 -11.431 16.839 1.00 0.00 C ATOM 0 H THR A 16 2.093 -9.768 14.140 1.00 0.00 H new ATOM 0 HA THR A 16 0.250 -11.063 16.059 1.00 0.00 H new ATOM 0 HB THR A 16 1.582 -9.953 17.776 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.829 -9.456 16.308 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.673 -11.333 17.560 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.216 -12.259 17.130 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.277 -11.625 15.850 1.00 0.00 H new ATOM 265 N GLU A 17 -0.170 -8.184 14.842 1.00 0.00 N ATOM 266 CA GLU A 17 -0.860 -6.892 14.883 1.00 0.00 C ATOM 267 C GLU A 17 -1.819 -6.713 13.692 1.00 0.00 C ATOM 268 O GLU A 17 -2.665 -5.818 13.740 1.00 0.00 O ATOM 269 CB GLU A 17 0.202 -5.774 14.984 1.00 0.00 C ATOM 270 CG GLU A 17 -0.336 -4.389 15.364 1.00 0.00 C ATOM 271 CD GLU A 17 0.815 -3.401 15.633 1.00 0.00 C ATOM 272 OE1 GLU A 17 1.606 -3.104 14.708 1.00 0.00 O ATOM 273 OE2 GLU A 17 0.930 -2.903 16.777 1.00 0.00 O ATOM 0 H GLU A 17 0.222 -8.405 13.927 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.500 -6.842 15.764 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.948 -6.070 15.721 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.715 -5.696 14.025 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.966 -4.008 14.561 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.964 -4.470 16.251 1.00 0.00 H new ATOM 280 N ILE A 18 -1.770 -7.580 12.666 1.00 0.00 N ATOM 281 CA ILE A 18 -2.646 -7.475 11.492 1.00 0.00 C ATOM 282 C ILE A 18 -3.497 -8.740 11.347 1.00 0.00 C ATOM 283 O ILE A 18 -4.717 -8.624 11.240 1.00 0.00 O ATOM 284 CB ILE A 18 -1.837 -7.153 10.207 1.00 0.00 C ATOM 285 CG1 ILE A 18 -0.872 -5.963 10.424 1.00 0.00 C ATOM 286 CG2 ILE A 18 -2.790 -6.844 9.040 1.00 0.00 C ATOM 287 CD1 ILE A 18 -0.116 -5.489 9.177 1.00 0.00 C ATOM 0 H ILE A 18 -1.124 -8.369 12.629 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.328 -6.638 11.641 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.240 -8.033 9.966 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.442 -5.124 10.823 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.143 -6.243 11.185 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.209 -6.620 8.145 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.427 -7.708 8.852 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.410 -5.985 9.295 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.531 -4.653 9.440 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.489 -6.307 8.785 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.830 -5.170 8.418 1.00 0.00 H new ATOM 299 N ILE A 19 -2.904 -9.939 11.389 1.00 0.00 N ATOM 300 CA ILE A 19 -3.598 -11.186 11.039 1.00 0.00 C ATOM 301 C ILE A 19 -3.550 -12.249 12.153 1.00 0.00 C ATOM 302 O ILE A 19 -3.843 -13.414 11.898 1.00 0.00 O ATOM 303 CB ILE A 19 -3.093 -11.695 9.677 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.571 -11.896 9.716 1.00 0.00 C ATOM 305 CG2 ILE A 19 -3.496 -10.739 8.534 1.00 0.00 C ATOM 306 CD1 ILE A 19 -1.104 -12.858 8.645 1.00 0.00 C ATOM 0 H ILE A 19 -1.931 -10.073 11.666 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.661 -10.966 10.941 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.565 -12.657 9.478 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.074 -10.935 9.583 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.279 -12.273 10.696 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.124 -11.128 7.586 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.582 -10.659 8.492 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.067 -9.754 8.715 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.022 -12.973 8.706 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.581 -13.827 8.793 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.372 -12.468 7.663 1.00 0.00 H new ATOM 318 N VAL A 20 -3.203 -11.864 13.384 1.00 0.00 N ATOM 319 CA VAL A 20 -3.012 -12.763 14.528 1.00 0.00 C ATOM 320 C VAL A 20 -4.144 -13.782 14.752 1.00 0.00 C ATOM 321 O VAL A 20 -3.864 -14.929 15.105 1.00 0.00 O ATOM 322 CB VAL A 20 -2.722 -11.901 15.777 1.00 0.00 C ATOM 323 CG1 VAL A 20 -3.946 -11.123 16.286 1.00 0.00 C ATOM 324 CG2 VAL A 20 -2.119 -12.723 16.922 1.00 0.00 C ATOM 0 H VAL A 20 -3.042 -10.885 13.621 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.158 -13.404 14.308 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.987 -11.169 15.441 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.667 -10.541 17.164 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.302 -10.452 15.504 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.738 -11.824 16.551 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.933 -12.074 17.777 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.815 -13.511 17.210 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.180 -13.169 16.594 1.00 0.00 H new ATOM 334 N ASP A 21 -5.406 -13.396 14.529 1.00 0.00 N ATOM 335 CA ASP A 21 -6.584 -14.235 14.803 1.00 0.00 C ATOM 336 C ASP A 21 -7.259 -14.700 13.497 1.00 0.00 C ATOM 337 O ASP A 21 -8.332 -15.327 13.495 1.00 0.00 O ATOM 338 CB ASP A 21 -7.547 -13.448 15.705 1.00 0.00 C ATOM 339 CG ASP A 21 -8.714 -14.305 16.228 1.00 0.00 C ATOM 340 OD1 ASP A 21 -8.470 -15.386 16.811 1.00 0.00 O ATOM 341 OD2 ASP A 21 -9.883 -13.868 16.127 1.00 0.00 O ATOM 0 H ASP A 21 -5.643 -12.480 14.148 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.277 -15.143 15.322 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.993 -13.042 16.552 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.946 -12.600 15.149 1.00 0.00 H new ATOM 346 N ALA A 22 -6.616 -14.372 12.370 1.00 0.00 N ATOM 347 CA ALA A 22 -7.144 -14.511 11.030 1.00 0.00 C ATOM 348 C ALA A 22 -6.403 -15.615 10.284 1.00 0.00 C ATOM 349 O ALA A 22 -5.176 -15.726 10.333 1.00 0.00 O ATOM 350 CB ALA A 22 -6.975 -13.189 10.280 1.00 0.00 C ATOM 0 H ALA A 22 -5.672 -13.986 12.380 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.201 -14.771 11.089 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.372 -13.290 9.270 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.515 -12.401 10.805 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.917 -12.932 10.230 1.00 0.00 H new ATOM 356 N GLU A 23 -7.168 -16.361 9.500 1.00 0.00 N ATOM 357 CA GLU A 23 -6.713 -17.433 8.616 1.00 0.00 C ATOM 358 C GLU A 23 -7.722 -17.744 7.508 1.00 0.00 C ATOM 359 O GLU A 23 -7.356 -18.191 6.422 1.00 0.00 O ATOM 360 CB GLU A 23 -6.369 -18.680 9.434 1.00 0.00 C ATOM 361 CG GLU A 23 -7.513 -19.531 10.007 1.00 0.00 C ATOM 362 CD GLU A 23 -8.180 -18.985 11.283 1.00 0.00 C ATOM 363 OE1 GLU A 23 -7.695 -18.028 11.920 1.00 0.00 O ATOM 364 OE2 GLU A 23 -9.242 -19.501 11.700 1.00 0.00 O ATOM 0 H GLU A 23 -8.179 -16.230 9.459 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.810 -17.088 8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.759 -19.329 8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.743 -18.364 10.269 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.278 -19.642 9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.128 -20.528 10.219 1.00 0.00 H new ATOM 371 N ASP A 24 -8.992 -17.470 7.787 1.00 0.00 N ATOM 372 CA ASP A 24 -10.110 -17.507 6.876 1.00 0.00 C ATOM 373 C ASP A 24 -9.913 -16.301 5.970 1.00 0.00 C ATOM 374 O ASP A 24 -9.479 -15.250 6.449 1.00 0.00 O ATOM 375 CB ASP A 24 -11.433 -17.346 7.659 1.00 0.00 C ATOM 376 CG ASP A 24 -11.440 -17.913 9.099 1.00 0.00 C ATOM 377 OD1 ASP A 24 -10.730 -17.362 9.987 1.00 0.00 O ATOM 378 OD2 ASP A 24 -12.163 -18.905 9.343 1.00 0.00 O ATOM 0 H ASP A 24 -9.278 -17.197 8.727 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.159 -18.446 6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.678 -16.285 7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.228 -17.832 7.094 1.00 0.00 H new ATOM 383 N LYS A 25 -10.244 -16.398 4.684 1.00 0.00 N ATOM 384 CA LYS A 25 -9.959 -15.301 3.754 1.00 0.00 C ATOM 385 C LYS A 25 -10.672 -14.008 4.143 1.00 0.00 C ATOM 386 O LYS A 25 -10.127 -12.928 3.925 1.00 0.00 O ATOM 387 CB LYS A 25 -10.261 -15.709 2.309 1.00 0.00 C ATOM 388 CG LYS A 25 -11.743 -16.021 2.037 1.00 0.00 C ATOM 389 CD LYS A 25 -11.968 -16.478 0.589 1.00 0.00 C ATOM 390 CE LYS A 25 -11.257 -17.800 0.259 1.00 0.00 C ATOM 391 NZ LYS A 25 -11.978 -18.994 0.772 1.00 0.00 N ATOM 0 H LYS A 25 -10.701 -17.208 4.265 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.891 -15.092 3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.942 -14.907 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.665 -16.587 2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.083 -16.798 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.345 -15.134 2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.037 -16.593 0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.614 -15.702 -0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.147 -17.886 -0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.252 -17.780 0.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.450 -19.854 0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.061 -18.931 1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.928 -19.034 0.350 1.00 0.00 H new ATOM 405 N GLU A 26 -11.864 -14.111 4.740 1.00 0.00 N ATOM 406 CA GLU A 26 -12.629 -12.945 5.147 1.00 0.00 C ATOM 407 C GLU A 26 -11.917 -12.292 6.325 1.00 0.00 C ATOM 408 O GLU A 26 -11.784 -11.072 6.365 1.00 0.00 O ATOM 409 CB GLU A 26 -14.062 -13.350 5.529 1.00 0.00 C ATOM 410 CG GLU A 26 -14.858 -13.874 4.324 1.00 0.00 C ATOM 411 CD GLU A 26 -16.304 -14.231 4.714 1.00 0.00 C ATOM 412 OE1 GLU A 26 -16.555 -15.371 5.167 1.00 0.00 O ATOM 413 OE2 GLU A 26 -17.212 -13.384 4.551 1.00 0.00 O ATOM 0 H GLU A 26 -12.316 -15.001 4.950 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.698 -12.236 4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.027 -14.119 6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.578 -12.491 5.958 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.868 -13.119 3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.363 -14.754 3.915 1.00 0.00 H new ATOM 420 N GLU A 27 -11.400 -13.092 7.262 1.00 0.00 N ATOM 421 CA GLU A 27 -10.696 -12.560 8.414 1.00 0.00 C ATOM 422 C GLU A 27 -9.338 -12.016 8.001 1.00 0.00 C ATOM 423 O GLU A 27 -8.922 -10.992 8.533 1.00 0.00 O ATOM 424 CB GLU A 27 -10.533 -13.608 9.515 1.00 0.00 C ATOM 425 CG GLU A 27 -11.902 -14.127 9.977 1.00 0.00 C ATOM 426 CD GLU A 27 -11.883 -14.746 11.384 1.00 0.00 C ATOM 427 OE1 GLU A 27 -11.117 -14.303 12.264 1.00 0.00 O ATOM 428 OE2 GLU A 27 -12.589 -15.743 11.654 1.00 0.00 O ATOM 0 H GLU A 27 -11.460 -14.110 7.238 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.299 -11.747 8.818 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.929 -14.438 9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.999 -13.175 10.360 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.617 -13.305 9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.257 -14.873 9.266 1.00 0.00 H new ATOM 435 N ARG A 28 -8.646 -12.655 7.050 1.00 0.00 N ATOM 436 CA ARG A 28 -7.386 -12.108 6.543 1.00 0.00 C ATOM 437 C ARG A 28 -7.632 -10.737 5.919 1.00 0.00 C ATOM 438 O ARG A 28 -6.927 -9.786 6.264 1.00 0.00 O ATOM 439 CB ARG A 28 -6.736 -13.083 5.548 1.00 0.00 C ATOM 440 CG ARG A 28 -6.074 -14.291 6.233 1.00 0.00 C ATOM 441 CD ARG A 28 -4.721 -13.902 6.851 1.00 0.00 C ATOM 442 NE ARG A 28 -4.233 -14.914 7.802 1.00 0.00 N ATOM 443 CZ ARG A 28 -3.368 -15.911 7.588 1.00 0.00 C ATOM 444 NH1 ARG A 28 -2.827 -16.113 6.391 1.00 0.00 N ATOM 445 NH2 ARG A 28 -3.074 -16.707 8.608 1.00 0.00 N ATOM 0 H ARG A 28 -8.932 -13.536 6.623 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.688 -11.980 7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.493 -13.439 4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.987 -12.550 4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.734 -14.680 7.009 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.929 -15.091 5.507 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.986 -13.767 6.057 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.818 -12.944 7.361 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.604 -14.846 8.750 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.069 -15.501 5.612 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.169 -16.880 6.251 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.504 -16.548 9.519 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.418 -17.478 8.481 1.00 0.00 H new ATOM 459 N ALA A 29 -8.653 -10.617 5.066 1.00 0.00 N ATOM 460 CA ALA A 29 -9.021 -9.352 4.454 1.00 0.00 C ATOM 461 C ALA A 29 -9.360 -8.311 5.528 1.00 0.00 C ATOM 462 O ALA A 29 -8.845 -7.194 5.483 1.00 0.00 O ATOM 463 CB ALA A 29 -10.194 -9.586 3.494 1.00 0.00 C ATOM 0 H ALA A 29 -9.244 -11.399 4.785 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.180 -8.956 3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.478 -8.642 3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.896 -10.295 2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.043 -9.987 4.048 1.00 0.00 H new ATOM 469 N MET A 30 -10.180 -8.672 6.521 1.00 0.00 N ATOM 470 CA MET A 30 -10.560 -7.759 7.593 1.00 0.00 C ATOM 471 C MET A 30 -9.370 -7.357 8.463 1.00 0.00 C ATOM 472 O MET A 30 -9.276 -6.191 8.830 1.00 0.00 O ATOM 473 CB MET A 30 -11.698 -8.339 8.439 1.00 0.00 C ATOM 474 CG MET A 30 -13.043 -8.364 7.699 1.00 0.00 C ATOM 475 SD MET A 30 -13.753 -6.757 7.224 1.00 0.00 S ATOM 476 CE MET A 30 -13.025 -6.485 5.580 1.00 0.00 C ATOM 0 H MET A 30 -10.594 -9.601 6.600 1.00 0.00 H new ATOM 0 HA MET A 30 -10.924 -6.848 7.118 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.438 -9.353 8.742 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.802 -7.751 9.351 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.922 -8.961 6.795 1.00 0.00 H new ATOM 0 HG3 MET A 30 -13.767 -8.882 8.329 1.00 0.00 H new ATOM 0 HE1 MET A 30 -13.752 -5.989 4.937 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.138 -5.859 5.674 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.748 -7.444 5.142 1.00 0.00 H new ATOM 486 N GLY A 31 -8.440 -8.266 8.757 1.00 0.00 N ATOM 487 CA GLY A 31 -7.260 -7.963 9.549 1.00 0.00 C ATOM 488 C GLY A 31 -6.432 -6.870 8.881 1.00 0.00 C ATOM 489 O GLY A 31 -6.111 -5.857 9.512 1.00 0.00 O ATOM 0 H GLY A 31 -8.490 -9.237 8.448 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.558 -7.642 10.547 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.656 -8.862 9.670 1.00 0.00 H new ATOM 493 N TRP A 32 -6.159 -7.035 7.581 1.00 0.00 N ATOM 494 CA TRP A 32 -5.489 -6.012 6.792 1.00 0.00 C ATOM 495 C TRP A 32 -6.290 -4.711 6.795 1.00 0.00 C ATOM 496 O TRP A 32 -5.722 -3.664 7.092 1.00 0.00 O ATOM 497 CB TRP A 32 -5.210 -6.523 5.373 1.00 0.00 C ATOM 498 CG TRP A 32 -3.971 -7.360 5.279 1.00 0.00 C ATOM 499 CD1 TRP A 32 -3.906 -8.708 5.219 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.586 -6.903 5.273 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.587 -9.118 5.186 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.725 -8.041 5.257 1.00 0.00 C ATOM 503 CE3 TRP A 32 -1.978 -5.631 5.304 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -0.329 -7.911 5.302 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -0.578 -5.491 5.319 1.00 0.00 C ATOM 506 CH2 TRP A 32 0.246 -6.629 5.322 1.00 0.00 C ATOM 0 H TRP A 32 -6.397 -7.877 7.056 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.525 -5.790 7.250 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.063 -7.109 5.031 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.117 -5.671 4.699 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.760 -9.369 5.200 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.288 -10.091 5.118 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.599 -4.747 5.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.299 -8.789 5.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.136 -4.506 5.328 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.320 -6.519 5.340 1.00 0.00 H new ATOM 517 N TYR A 33 -7.596 -4.767 6.526 1.00 0.00 N ATOM 518 CA TYR A 33 -8.455 -3.592 6.439 1.00 0.00 C ATOM 519 C TYR A 33 -8.444 -2.783 7.738 1.00 0.00 C ATOM 520 O TYR A 33 -8.281 -1.562 7.690 1.00 0.00 O ATOM 521 CB TYR A 33 -9.873 -4.055 6.075 1.00 0.00 C ATOM 522 CG TYR A 33 -10.984 -3.038 6.255 1.00 0.00 C ATOM 523 CD1 TYR A 33 -10.944 -1.802 5.586 1.00 0.00 C ATOM 524 CD2 TYR A 33 -12.073 -3.343 7.090 1.00 0.00 C ATOM 525 CE1 TYR A 33 -11.991 -0.877 5.745 1.00 0.00 C ATOM 526 CE2 TYR A 33 -13.111 -2.415 7.273 1.00 0.00 C ATOM 527 CZ TYR A 33 -13.085 -1.180 6.587 1.00 0.00 C ATOM 528 OH TYR A 33 -14.111 -0.297 6.745 1.00 0.00 O ATOM 0 H TYR A 33 -8.090 -5.644 6.361 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.078 -2.924 5.664 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.870 -4.376 5.033 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.111 -4.931 6.678 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.106 -1.562 4.948 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -12.112 -4.297 7.594 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -11.959 0.068 5.222 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.930 -2.645 7.939 1.00 0.00 H new ATOM 0 HH TYR A 33 -14.775 -0.674 7.359 1.00 0.00 H new ATOM 538 N TYR A 34 -8.588 -3.441 8.892 1.00 0.00 N ATOM 539 CA TYR A 34 -8.684 -2.766 10.178 1.00 0.00 C ATOM 540 C TYR A 34 -7.372 -2.054 10.503 1.00 0.00 C ATOM 541 O TYR A 34 -7.395 -0.887 10.893 1.00 0.00 O ATOM 542 CB TYR A 34 -9.023 -3.776 11.288 1.00 0.00 C ATOM 543 CG TYR A 34 -10.354 -4.519 11.216 1.00 0.00 C ATOM 544 CD1 TYR A 34 -11.414 -4.104 10.379 1.00 0.00 C ATOM 545 CD2 TYR A 34 -10.529 -5.651 12.037 1.00 0.00 C ATOM 546 CE1 TYR A 34 -12.636 -4.802 10.380 1.00 0.00 C ATOM 547 CE2 TYR A 34 -11.744 -6.357 12.038 1.00 0.00 C ATOM 548 CZ TYR A 34 -12.808 -5.932 11.212 1.00 0.00 C ATOM 549 OH TYR A 34 -13.984 -6.622 11.223 1.00 0.00 O ATOM 0 H TYR A 34 -8.641 -4.458 8.955 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.482 -2.025 10.121 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.228 -4.522 11.311 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.991 -3.246 12.240 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.286 -3.247 9.735 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.720 -5.980 12.673 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.444 -4.474 9.744 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.864 -7.224 12.670 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.919 -7.369 11.854 1.00 0.00 H new ATOM 559 N TYR A 35 -6.229 -2.728 10.333 1.00 0.00 N ATOM 560 CA TYR A 35 -4.933 -2.129 10.622 1.00 0.00 C ATOM 561 C TYR A 35 -4.617 -1.013 9.627 1.00 0.00 C ATOM 562 O TYR A 35 -4.087 0.020 10.037 1.00 0.00 O ATOM 563 CB TYR A 35 -3.846 -3.210 10.575 1.00 0.00 C ATOM 564 CG TYR A 35 -2.435 -2.671 10.733 1.00 0.00 C ATOM 565 CD1 TYR A 35 -1.919 -2.385 12.011 1.00 0.00 C ATOM 566 CD2 TYR A 35 -1.634 -2.460 9.594 1.00 0.00 C ATOM 567 CE1 TYR A 35 -0.611 -1.886 12.150 1.00 0.00 C ATOM 568 CE2 TYR A 35 -0.326 -1.962 9.723 1.00 0.00 C ATOM 569 CZ TYR A 35 0.192 -1.669 11.005 1.00 0.00 C ATOM 570 OH TYR A 35 1.466 -1.192 11.124 1.00 0.00 O ATOM 0 H TYR A 35 -6.181 -3.690 9.996 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.962 -1.692 11.620 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.037 -3.938 11.364 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.917 -3.742 9.626 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.529 -2.549 12.887 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.028 -2.683 8.613 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.219 -1.668 13.132 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.282 -1.804 8.844 1.00 0.00 H new ATOM 0 HH TYR A 35 1.760 -1.274 12.055 1.00 0.00 H new ATOM 580 N LEU A 36 -4.943 -1.187 8.340 1.00 0.00 N ATOM 581 CA LEU A 36 -4.685 -0.177 7.327 1.00 0.00 C ATOM 582 C LEU A 36 -5.489 1.062 7.646 1.00 0.00 C ATOM 583 O LEU A 36 -4.860 2.109 7.766 1.00 0.00 O ATOM 584 CB LEU A 36 -4.999 -0.688 5.913 1.00 0.00 C ATOM 585 CG LEU A 36 -3.772 -1.231 5.152 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.766 -2.046 5.974 1.00 0.00 C ATOM 587 CD2 LEU A 36 -4.282 -2.103 4.001 1.00 0.00 C ATOM 0 H LEU A 36 -5.391 -2.030 7.981 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.622 0.064 7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.749 -1.476 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.442 0.123 5.335 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.217 -0.351 4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.949 -2.372 5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.369 -1.428 6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.264 -2.918 6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.434 -2.502 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.872 -2.927 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.903 -1.502 3.337 1.00 0.00 H new ATOM 599 N ASP A 37 -6.812 0.965 7.867 1.00 0.00 N ATOM 600 CA ASP A 37 -7.561 2.140 8.312 1.00 0.00 C ATOM 601 C ASP A 37 -6.891 2.699 9.519 1.00 0.00 C ATOM 602 O ASP A 37 -6.624 3.903 9.528 1.00 0.00 O ATOM 603 CB ASP A 37 -9.028 1.899 8.729 1.00 0.00 C ATOM 604 CG ASP A 37 -9.739 3.120 9.419 1.00 0.00 C ATOM 605 OD1 ASP A 37 -9.204 3.847 10.309 1.00 0.00 O ATOM 606 OD2 ASP A 37 -10.927 3.324 9.085 1.00 0.00 O ATOM 0 H ASP A 37 -7.363 0.115 7.749 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.574 2.795 7.441 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.599 1.620 7.844 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.060 1.049 9.410 1.00 0.00 H new ATOM 611 N ASP A 38 -6.601 1.877 10.537 1.00 0.00 N ATOM 612 CA ASP A 38 -6.209 2.534 11.751 1.00 0.00 C ATOM 613 C ASP A 38 -4.908 3.314 11.627 1.00 0.00 C ATOM 614 O ASP A 38 -4.806 4.406 12.190 1.00 0.00 O ATOM 615 CB ASP A 38 -6.352 1.753 13.047 1.00 0.00 C ATOM 616 CG ASP A 38 -6.521 2.808 14.177 1.00 0.00 C ATOM 617 OD1 ASP A 38 -7.074 3.918 13.919 1.00 0.00 O ATOM 618 OD2 ASP A 38 -6.113 2.528 15.326 1.00 0.00 O ATOM 0 H ASP A 38 -6.629 0.857 10.538 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.998 3.277 11.872 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.213 1.086 13.006 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.475 1.130 13.224 1.00 0.00 H new ATOM 623 N THR A 39 -4.015 2.848 10.762 1.00 0.00 N ATOM 624 CA THR A 39 -2.697 3.420 10.601 1.00 0.00 C ATOM 625 C THR A 39 -2.787 4.666 9.708 1.00 0.00 C ATOM 626 O THR A 39 -2.167 5.687 10.005 1.00 0.00 O ATOM 627 CB THR A 39 -1.795 2.315 10.033 1.00 0.00 C ATOM 628 OG1 THR A 39 -1.797 1.187 10.882 1.00 0.00 O ATOM 629 CG2 THR A 39 -0.363 2.804 9.883 1.00 0.00 C ATOM 0 H THR A 39 -4.194 2.053 10.149 1.00 0.00 H new ATOM 0 HA THR A 39 -2.268 3.761 11.543 1.00 0.00 H new ATOM 0 HB THR A 39 -2.191 2.043 9.054 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.506 0.570 10.604 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.255 2.002 9.479 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.339 3.657 9.205 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.023 3.104 10.857 1.00 0.00 H new ATOM 637 N LEU A 40 -3.588 4.607 8.641 1.00 0.00 N ATOM 638 CA LEU A 40 -3.938 5.765 7.828 1.00 0.00 C ATOM 639 C LEU A 40 -4.651 6.806 8.707 1.00 0.00 C ATOM 640 O LEU A 40 -5.523 6.478 9.525 1.00 0.00 O ATOM 641 CB LEU A 40 -4.865 5.350 6.670 1.00 0.00 C ATOM 642 CG LEU A 40 -4.295 4.314 5.677 1.00 0.00 C ATOM 643 CD1 LEU A 40 -5.433 3.692 4.860 1.00 0.00 C ATOM 644 CD2 LEU A 40 -3.275 4.894 4.700 1.00 0.00 C ATOM 0 H LEU A 40 -4.015 3.740 8.317 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.026 6.192 7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.784 4.947 7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.137 6.246 6.112 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.784 3.570 6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.023 2.962 4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.135 3.197 5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.952 4.474 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.920 4.107 4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.743 5.683 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.433 5.307 5.256 1.00 0.00 H new ATOM 656 N GLU A 41 -4.342 8.079 8.471 1.00 0.00 N ATOM 657 CA GLU A 41 -4.995 9.230 9.094 1.00 0.00 C ATOM 658 C GLU A 41 -5.520 10.140 7.975 1.00 0.00 C ATOM 659 O GLU A 41 -5.172 11.318 7.866 1.00 0.00 O ATOM 660 CB GLU A 41 -4.041 9.909 10.093 1.00 0.00 C ATOM 661 CG GLU A 41 -3.778 9.040 11.334 1.00 0.00 C ATOM 662 CD GLU A 41 -5.011 8.929 12.255 1.00 0.00 C ATOM 663 OE1 GLU A 41 -5.182 9.792 13.146 1.00 0.00 O ATOM 664 OE2 GLU A 41 -5.817 7.977 12.115 1.00 0.00 O ATOM 0 H GLU A 41 -3.605 8.348 7.819 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.856 8.936 9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.095 10.126 9.598 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.464 10.864 10.404 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.476 8.042 11.016 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.945 9.461 11.898 1.00 0.00 H new ATOM 671 N PHE A 42 -6.325 9.537 7.094 1.00 0.00 N ATOM 672 CA PHE A 42 -7.047 10.206 6.016 1.00 0.00 C ATOM 673 C PHE A 42 -7.996 11.303 6.553 1.00 0.00 C ATOM 674 O PHE A 42 -8.358 11.258 7.735 1.00 0.00 O ATOM 675 CB PHE A 42 -7.771 9.125 5.186 1.00 0.00 C ATOM 676 CG PHE A 42 -8.635 8.142 5.958 1.00 0.00 C ATOM 677 CD1 PHE A 42 -9.858 8.556 6.520 1.00 0.00 C ATOM 678 CD2 PHE A 42 -8.264 6.783 6.026 1.00 0.00 C ATOM 679 CE1 PHE A 42 -10.693 7.625 7.160 1.00 0.00 C ATOM 680 CE2 PHE A 42 -9.098 5.853 6.671 1.00 0.00 C ATOM 681 CZ PHE A 42 -10.314 6.275 7.236 1.00 0.00 C ATOM 0 H PHE A 42 -6.495 8.532 7.116 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.351 10.738 5.368 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.399 9.625 4.449 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.020 8.559 4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.155 9.593 6.459 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.336 6.456 5.581 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.628 7.948 7.594 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.805 4.815 6.732 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.957 5.561 7.729 1.00 0.00 H new ATOM 691 N PRO A 43 -8.453 12.267 5.723 1.00 0.00 N ATOM 692 CA PRO A 43 -8.148 12.431 4.301 1.00 0.00 C ATOM 693 C PRO A 43 -6.687 12.824 4.052 1.00 0.00 C ATOM 694 O PRO A 43 -6.050 13.445 4.906 1.00 0.00 O ATOM 695 CB PRO A 43 -9.114 13.506 3.792 1.00 0.00 C ATOM 696 CG PRO A 43 -9.393 14.351 5.032 1.00 0.00 C ATOM 697 CD PRO A 43 -9.361 13.320 6.158 1.00 0.00 C ATOM 0 HA PRO A 43 -8.275 11.488 3.769 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.669 14.100 2.994 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.028 13.067 3.391 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.639 15.126 5.171 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.359 14.853 4.971 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -9.016 13.771 7.088 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.357 12.920 6.348 1.00 0.00 H new ATOM 705 N PHE A 44 -6.161 12.465 2.878 1.00 0.00 N ATOM 706 CA PHE A 44 -4.816 12.826 2.431 1.00 0.00 C ATOM 707 C PHE A 44 -4.802 12.922 0.902 1.00 0.00 C ATOM 708 O PHE A 44 -5.726 12.447 0.247 1.00 0.00 O ATOM 709 CB PHE A 44 -3.779 11.808 2.944 1.00 0.00 C ATOM 710 CG PHE A 44 -3.879 10.394 2.388 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.215 10.061 1.194 1.00 0.00 C ATOM 712 CD2 PHE A 44 -4.591 9.394 3.074 1.00 0.00 C ATOM 713 CE1 PHE A 44 -3.294 8.764 0.665 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.667 8.089 2.555 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.020 7.773 1.347 1.00 0.00 C ATOM 0 H PHE A 44 -6.671 11.902 2.197 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.543 13.797 2.844 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.784 12.193 2.720 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.863 11.754 4.029 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.637 10.813 0.678 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.083 9.630 4.006 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.798 8.528 -0.265 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.223 7.329 3.084 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.081 6.772 0.945 1.00 0.00 H new ATOM 725 N MET A 45 -3.768 13.522 0.313 1.00 0.00 N ATOM 726 CA MET A 45 -3.636 13.644 -1.139 1.00 0.00 C ATOM 727 C MET A 45 -2.759 12.506 -1.664 1.00 0.00 C ATOM 728 O MET A 45 -1.753 12.169 -1.037 1.00 0.00 O ATOM 729 CB MET A 45 -2.998 15.008 -1.442 1.00 0.00 C ATOM 730 CG MET A 45 -2.841 15.263 -2.941 1.00 0.00 C ATOM 731 SD MET A 45 -1.978 16.805 -3.328 1.00 0.00 S ATOM 732 CE MET A 45 -1.969 16.633 -5.127 1.00 0.00 C ATOM 0 H MET A 45 -2.995 13.939 0.832 1.00 0.00 H new ATOM 0 HA MET A 45 -4.608 13.578 -1.628 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.611 15.797 -1.005 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.020 15.062 -0.964 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.297 14.430 -3.387 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.828 15.283 -3.403 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.270 17.350 -5.558 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.662 15.622 -5.394 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.969 16.824 -5.516 1.00 0.00 H new ATOM 742 N GLY A 46 -3.071 11.953 -2.837 1.00 0.00 N ATOM 743 CA GLY A 46 -2.220 10.961 -3.470 1.00 0.00 C ATOM 744 C GLY A 46 -2.345 10.982 -4.983 1.00 0.00 C ATOM 745 O GLY A 46 -3.193 11.665 -5.559 1.00 0.00 O ATOM 0 H GLY A 46 -3.913 12.181 -3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.182 11.143 -3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.481 9.970 -3.099 1.00 0.00 H new ATOM 749 N LYS A 47 -1.468 10.230 -5.637 1.00 0.00 N ATOM 750 CA LYS A 47 -1.571 9.949 -7.059 1.00 0.00 C ATOM 751 C LYS A 47 -2.157 8.548 -7.175 1.00 0.00 C ATOM 752 O LYS A 47 -1.644 7.606 -6.568 1.00 0.00 O ATOM 753 CB LYS A 47 -0.185 10.025 -7.730 1.00 0.00 C ATOM 754 CG LYS A 47 -0.281 10.315 -9.238 1.00 0.00 C ATOM 755 CD LYS A 47 -0.576 11.795 -9.557 1.00 0.00 C ATOM 756 CE LYS A 47 0.618 12.736 -9.327 1.00 0.00 C ATOM 757 NZ LYS A 47 1.615 12.694 -10.427 1.00 0.00 N ATOM 0 H LYS A 47 -0.660 9.796 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.203 10.680 -7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.407 10.804 -7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.343 9.084 -7.576 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.655 10.027 -9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.065 9.694 -9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.893 11.875 -10.597 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.412 12.129 -8.942 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.252 13.757 -9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.108 12.469 -8.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.442 13.270 -10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.914 11.711 -10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.188 13.072 -11.297 1.00 0.00 H new ATOM 771 N TRP A 48 -3.244 8.406 -7.922 1.00 0.00 N ATOM 772 CA TRP A 48 -3.774 7.116 -8.309 1.00 0.00 C ATOM 773 C TRP A 48 -2.930 6.708 -9.514 1.00 0.00 C ATOM 774 O TRP A 48 -3.049 7.297 -10.587 1.00 0.00 O ATOM 775 CB TRP A 48 -5.274 7.241 -8.627 1.00 0.00 C ATOM 776 CG TRP A 48 -6.015 5.985 -8.983 1.00 0.00 C ATOM 777 CD1 TRP A 48 -5.504 4.735 -9.013 1.00 0.00 C ATOM 778 CD2 TRP A 48 -7.420 5.833 -9.357 1.00 0.00 C ATOM 779 NE1 TRP A 48 -6.472 3.830 -9.388 1.00 0.00 N ATOM 780 CE2 TRP A 48 -7.681 4.452 -9.615 1.00 0.00 C ATOM 781 CE3 TRP A 48 -8.507 6.723 -9.492 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -8.948 3.983 -9.993 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -9.785 6.265 -9.866 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.007 4.899 -10.117 1.00 0.00 C ATOM 0 H TRP A 48 -3.784 9.195 -8.277 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.714 6.359 -7.527 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.765 7.687 -7.762 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.385 7.943 -9.454 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.481 4.481 -8.776 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.314 2.827 -9.485 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.356 7.776 -9.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.108 2.932 -10.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.600 6.967 -9.961 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.989 4.554 -10.404 1.00 0.00 H new ATOM 795 N LYS A 49 -2.028 5.745 -9.336 1.00 0.00 N ATOM 796 CA LYS A 49 -1.272 5.095 -10.402 1.00 0.00 C ATOM 797 C LYS A 49 -2.192 4.052 -11.046 1.00 0.00 C ATOM 798 O LYS A 49 -1.984 2.847 -10.890 1.00 0.00 O ATOM 799 CB LYS A 49 -0.012 4.453 -9.788 1.00 0.00 C ATOM 800 CG LYS A 49 1.110 5.457 -9.502 1.00 0.00 C ATOM 801 CD LYS A 49 2.303 4.734 -8.858 1.00 0.00 C ATOM 802 CE LYS A 49 3.574 5.580 -8.987 1.00 0.00 C ATOM 803 NZ LYS A 49 4.709 5.014 -8.216 1.00 0.00 N ATOM 0 H LYS A 49 -1.796 5.383 -8.411 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.947 5.799 -11.168 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.285 3.952 -8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.362 3.686 -10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.422 5.941 -10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.748 6.242 -8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.094 4.539 -7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.452 3.767 -9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.853 5.654 -10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.370 6.593 -8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.605 5.370 -8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.628 5.299 -7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.691 3.976 -8.282 1.00 0.00 H new ATOM 817 N LYS A 50 -3.274 4.501 -11.683 1.00 0.00 N ATOM 818 CA LYS A 50 -4.272 3.593 -12.239 1.00 0.00 C ATOM 819 C LYS A 50 -3.639 2.818 -13.393 1.00 0.00 C ATOM 820 O LYS A 50 -2.863 3.399 -14.149 1.00 0.00 O ATOM 821 CB LYS A 50 -5.481 4.411 -12.720 1.00 0.00 C ATOM 822 CG LYS A 50 -6.656 3.493 -13.082 1.00 0.00 C ATOM 823 CD LYS A 50 -7.807 4.264 -13.734 1.00 0.00 C ATOM 824 CE LYS A 50 -8.774 3.299 -14.440 1.00 0.00 C ATOM 825 NZ LYS A 50 -8.207 2.738 -15.697 1.00 0.00 N ATOM 0 H LYS A 50 -3.480 5.490 -11.826 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.614 2.884 -11.485 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.786 5.108 -11.940 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.199 5.007 -13.588 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.311 2.714 -13.761 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.017 2.995 -12.182 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.344 4.836 -12.977 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.410 4.981 -14.453 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.025 2.482 -13.763 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.703 3.822 -14.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.696 1.851 -15.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.335 3.421 -16.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.193 2.550 -15.566 1.00 0.00 H new ATOM 839 N LYS A 51 -3.953 1.531 -13.573 1.00 0.00 N ATOM 840 CA LYS A 51 -3.561 0.825 -14.795 1.00 0.00 C ATOM 841 C LYS A 51 -4.230 1.547 -15.974 1.00 0.00 C ATOM 842 O LYS A 51 -5.430 1.844 -15.914 1.00 0.00 O ATOM 843 CB LYS A 51 -3.981 -0.651 -14.712 1.00 0.00 C ATOM 844 CG LYS A 51 -3.423 -1.465 -15.893 1.00 0.00 C ATOM 845 CD LYS A 51 -3.778 -2.959 -15.815 1.00 0.00 C ATOM 846 CE LYS A 51 -5.285 -3.205 -15.984 1.00 0.00 C ATOM 847 NZ LYS A 51 -5.622 -4.652 -15.979 1.00 0.00 N ATOM 0 H LYS A 51 -4.469 0.965 -12.899 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.479 0.834 -14.929 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.626 -1.079 -13.774 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.069 -0.721 -14.703 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.810 -1.054 -16.825 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.339 -1.356 -15.922 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.234 -3.501 -16.588 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.451 -3.359 -14.855 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.825 -2.705 -15.180 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.621 -2.759 -16.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.649 -4.770 -16.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.128 -5.126 -16.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.326 -5.074 -15.076 1.00 0.00 H new ATOM 861 N SER A 52 -3.469 1.860 -17.017 1.00 0.00 N ATOM 862 CA SER A 52 -3.933 2.650 -18.142 1.00 0.00 C ATOM 863 C SER A 52 -5.013 1.919 -18.938 1.00 0.00 C ATOM 864 O SER A 52 -5.147 0.693 -18.917 1.00 0.00 O ATOM 865 CB SER A 52 -2.739 3.010 -19.048 1.00 0.00 C ATOM 866 OG SER A 52 -3.137 3.888 -20.089 1.00 0.00 O ATOM 0 H SER A 52 -2.496 1.565 -17.102 1.00 0.00 H new ATOM 0 HA SER A 52 -4.382 3.565 -17.756 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.955 3.478 -18.453 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.316 2.101 -19.476 1.00 0.00 H new ATOM 0 HG SER A 52 -3.326 4.774 -19.715 1.00 0.00 H new ATOM 872 N ARG A 53 -5.782 2.720 -19.679 1.00 0.00 N ATOM 873 CA ARG A 53 -6.708 2.237 -20.693 1.00 0.00 C ATOM 874 C ARG A 53 -5.898 1.738 -21.901 1.00 0.00 C ATOM 875 O ARG A 53 -6.358 0.856 -22.626 1.00 0.00 O ATOM 876 CB ARG A 53 -7.645 3.402 -21.063 1.00 0.00 C ATOM 877 CG ARG A 53 -8.778 2.987 -22.014 1.00 0.00 C ATOM 878 CD ARG A 53 -9.728 4.163 -22.272 1.00 0.00 C ATOM 879 NE ARG A 53 -10.822 3.787 -23.185 1.00 0.00 N ATOM 880 CZ ARG A 53 -11.799 4.600 -23.609 1.00 0.00 C ATOM 881 NH1 ARG A 53 -11.847 5.870 -23.210 1.00 0.00 N ATOM 882 NH2 ARG A 53 -12.730 4.136 -24.436 1.00 0.00 N ATOM 0 H ARG A 53 -5.775 3.736 -19.586 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.313 1.404 -20.334 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.077 3.816 -20.152 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.061 4.196 -21.528 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.358 2.639 -22.958 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.333 2.153 -21.585 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.145 4.508 -21.326 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.169 4.997 -22.697 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.837 2.825 -23.523 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.135 6.232 -22.575 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.595 6.480 -23.539 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.699 3.165 -24.745 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.476 4.751 -24.761 1.00 0.00 H new ATOM 896 N LYS A 54 -4.701 2.299 -22.125 1.00 0.00 N ATOM 897 CA LYS A 54 -3.865 2.024 -23.291 1.00 0.00 C ATOM 898 C LYS A 54 -3.273 0.620 -23.206 1.00 0.00 C ATOM 899 O LYS A 54 -3.393 -0.154 -24.156 1.00 0.00 O ATOM 900 CB LYS A 54 -2.717 3.051 -23.356 1.00 0.00 C ATOM 901 CG LYS A 54 -3.183 4.514 -23.457 1.00 0.00 C ATOM 902 CD LYS A 54 -1.993 5.463 -23.242 1.00 0.00 C ATOM 903 CE LYS A 54 -2.389 6.946 -23.269 1.00 0.00 C ATOM 904 NZ LYS A 54 -3.313 7.315 -22.169 1.00 0.00 N ATOM 0 H LYS A 54 -4.282 2.971 -21.483 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.483 2.096 -24.186 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.095 2.940 -22.468 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.088 2.822 -24.216 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.630 4.695 -24.434 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.954 4.711 -22.712 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.524 5.236 -22.284 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.246 5.279 -24.014 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.490 7.559 -23.203 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.860 7.174 -24.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.493 8.339 -22.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.211 6.803 -22.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.884 7.063 -21.256 1.00 0.00 H new ATOM 918 N THR A 55 -2.656 0.298 -22.070 1.00 0.00 N ATOM 919 CA THR A 55 -1.839 -0.892 -21.851 1.00 0.00 C ATOM 920 C THR A 55 -1.737 -1.128 -20.335 1.00 0.00 C ATOM 921 O THR A 55 -2.267 -0.345 -19.544 1.00 0.00 O ATOM 922 CB THR A 55 -0.434 -0.688 -22.492 1.00 0.00 C ATOM 923 OG1 THR A 55 -0.092 0.675 -22.690 1.00 0.00 O ATOM 924 CG2 THR A 55 -0.313 -1.382 -23.853 1.00 0.00 C ATOM 0 H THR A 55 -2.716 0.888 -21.240 1.00 0.00 H new ATOM 0 HA THR A 55 -2.290 -1.767 -22.319 1.00 0.00 H new ATOM 0 HB THR A 55 0.250 -1.131 -21.768 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.800 0.733 -23.093 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.683 -1.212 -24.261 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.477 -2.453 -23.731 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.059 -0.976 -24.536 1.00 0.00 H new ATOM 932 N SER A 56 -1.011 -2.164 -19.907 1.00 0.00 N ATOM 933 CA SER A 56 -0.669 -2.424 -18.506 1.00 0.00 C ATOM 934 C SER A 56 0.245 -1.346 -17.875 1.00 0.00 C ATOM 935 O SER A 56 0.719 -1.519 -16.750 1.00 0.00 O ATOM 936 CB SER A 56 -0.017 -3.812 -18.415 1.00 0.00 C ATOM 937 OG SER A 56 -0.764 -4.775 -19.149 1.00 0.00 O ATOM 0 H SER A 56 -0.634 -2.866 -20.544 1.00 0.00 H new ATOM 0 HA SER A 56 -1.592 -2.389 -17.928 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.001 -3.765 -18.801 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.051 -4.118 -17.371 1.00 0.00 H new ATOM 0 HG SER A 56 -0.329 -5.650 -19.078 1.00 0.00 H new ATOM 943 N THR A 57 0.529 -0.258 -18.591 1.00 0.00 N ATOM 944 CA THR A 57 1.278 0.902 -18.136 1.00 0.00 C ATOM 945 C THR A 57 0.496 1.639 -17.037 1.00 0.00 C ATOM 946 O THR A 57 -0.717 1.465 -16.900 1.00 0.00 O ATOM 947 CB THR A 57 1.517 1.801 -19.369 1.00 0.00 C ATOM 948 OG1 THR A 57 0.375 1.828 -20.220 1.00 0.00 O ATOM 949 CG2 THR A 57 2.676 1.265 -20.215 1.00 0.00 C ATOM 0 H THR A 57 0.223 -0.162 -19.559 1.00 0.00 H new ATOM 0 HA THR A 57 2.234 0.612 -17.700 1.00 0.00 H new ATOM 0 HB THR A 57 1.735 2.798 -18.985 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.558 1.307 -21.029 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.827 1.913 -21.078 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.585 1.243 -19.614 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.442 0.256 -20.555 1.00 0.00 H new ATOM 957 N ILE A 58 1.174 2.468 -16.241 1.00 0.00 N ATOM 958 CA ILE A 58 0.522 3.332 -15.259 1.00 0.00 C ATOM 959 C ILE A 58 -0.027 4.575 -15.970 1.00 0.00 C ATOM 960 O ILE A 58 0.527 5.052 -16.963 1.00 0.00 O ATOM 961 CB ILE A 58 1.507 3.619 -14.092 1.00 0.00 C ATOM 962 CG1 ILE A 58 1.253 2.643 -12.924 1.00 0.00 C ATOM 963 CG2 ILE A 58 1.450 5.042 -13.508 1.00 0.00 C ATOM 964 CD1 ILE A 58 1.340 1.160 -13.288 1.00 0.00 C ATOM 0 H ILE A 58 2.190 2.558 -16.260 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.341 2.849 -14.800 1.00 0.00 H new ATOM 0 HB ILE A 58 2.490 3.493 -14.545 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.975 2.850 -12.134 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.264 2.843 -12.512 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.177 5.134 -12.701 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.682 5.766 -14.289 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.450 5.236 -13.119 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.147 0.556 -12.402 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.599 0.929 -14.053 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.337 0.937 -13.669 1.00 0.00 H new ATOM 976 N GLU A 59 -1.110 5.109 -15.411 1.00 0.00 N ATOM 977 CA GLU A 59 -1.838 6.280 -15.851 1.00 0.00 C ATOM 978 C GLU A 59 -2.100 7.071 -14.568 1.00 0.00 C ATOM 979 O GLU A 59 -3.012 6.767 -13.796 1.00 0.00 O ATOM 980 CB GLU A 59 -3.118 5.815 -16.567 1.00 0.00 C ATOM 981 CG GLU A 59 -3.821 6.879 -17.413 1.00 0.00 C ATOM 982 CD GLU A 59 -2.971 7.273 -18.629 1.00 0.00 C ATOM 983 OE1 GLU A 59 -2.875 6.461 -19.578 1.00 0.00 O ATOM 984 OE2 GLU A 59 -2.419 8.396 -18.654 1.00 0.00 O ATOM 0 H GLU A 59 -1.527 4.698 -14.576 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.309 6.909 -16.567 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.868 4.971 -17.210 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.820 5.448 -15.818 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.787 6.501 -17.748 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.018 7.761 -16.803 1.00 0.00 H new ATOM 991 N GLU A 60 -1.194 7.999 -14.263 1.00 0.00 N ATOM 992 CA GLU A 60 -1.248 8.796 -13.044 1.00 0.00 C ATOM 993 C GLU A 60 -2.454 9.744 -13.100 1.00 0.00 C ATOM 994 O GLU A 60 -2.653 10.440 -14.102 1.00 0.00 O ATOM 995 CB GLU A 60 0.057 9.594 -12.893 1.00 0.00 C ATOM 996 CG GLU A 60 1.246 8.705 -12.504 1.00 0.00 C ATOM 997 CD GLU A 60 2.542 9.521 -12.370 1.00 0.00 C ATOM 998 OE1 GLU A 60 2.644 10.348 -11.435 1.00 0.00 O ATOM 999 OE2 GLU A 60 3.469 9.342 -13.194 1.00 0.00 O ATOM 0 H GLU A 60 -0.397 8.218 -14.861 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.360 8.139 -12.181 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.279 10.103 -13.831 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.078 10.366 -12.136 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.032 8.203 -11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.381 7.927 -13.256 1.00 0.00 H new ATOM 1006 N LYS A 61 -3.224 9.820 -12.010 1.00 0.00 N ATOM 1007 CA LYS A 61 -4.339 10.750 -11.842 1.00 0.00 C ATOM 1008 C LYS A 61 -4.225 11.326 -10.435 1.00 0.00 C ATOM 1009 O LYS A 61 -4.054 10.567 -9.484 1.00 0.00 O ATOM 1010 CB LYS A 61 -5.650 9.968 -12.036 1.00 0.00 C ATOM 1011 CG LYS A 61 -6.907 10.849 -11.955 1.00 0.00 C ATOM 1012 CD LYS A 61 -8.203 10.026 -11.842 1.00 0.00 C ATOM 1013 CE LYS A 61 -8.403 8.960 -12.934 1.00 0.00 C ATOM 1014 NZ LYS A 61 -8.607 9.546 -14.286 1.00 0.00 N ATOM 0 H LYS A 61 -3.083 9.218 -11.199 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.324 11.564 -12.566 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.627 9.470 -13.005 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.714 9.187 -11.278 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.826 11.512 -11.094 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.960 11.482 -12.841 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.217 9.533 -10.870 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.051 10.710 -11.865 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.534 8.303 -12.956 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.264 8.342 -12.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.736 8.782 -14.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.452 10.152 -14.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.776 10.114 -14.547 1.00 0.00 H new ATOM 1028 N THR A 62 -4.274 12.642 -10.278 1.00 0.00 N ATOM 1029 CA THR A 62 -4.102 13.281 -8.978 1.00 0.00 C ATOM 1030 C THR A 62 -5.439 13.258 -8.235 1.00 0.00 C ATOM 1031 O THR A 62 -6.452 13.705 -8.779 1.00 0.00 O ATOM 1032 CB THR A 62 -3.561 14.702 -9.197 1.00 0.00 C ATOM 1033 OG1 THR A 62 -2.533 14.681 -10.176 1.00 0.00 O ATOM 1034 CG2 THR A 62 -2.967 15.257 -7.907 1.00 0.00 C ATOM 0 H THR A 62 -4.433 13.296 -11.045 1.00 0.00 H new ATOM 0 HA THR A 62 -3.380 12.748 -8.359 1.00 0.00 H new ATOM 0 HB THR A 62 -4.391 15.329 -9.523 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.193 15.590 -10.313 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.590 16.264 -8.084 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.737 15.288 -7.136 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.149 14.616 -7.578 1.00 0.00 H new ATOM 1042 N VAL A 63 -5.460 12.748 -7.000 1.00 0.00 N ATOM 1043 CA VAL A 63 -6.689 12.502 -6.264 1.00 0.00 C ATOM 1044 C VAL A 63 -6.524 12.876 -4.790 1.00 0.00 C ATOM 1045 O VAL A 63 -5.426 12.894 -4.233 1.00 0.00 O ATOM 1046 CB VAL A 63 -7.153 11.032 -6.416 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -7.431 10.629 -7.871 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -6.172 10.009 -5.822 1.00 0.00 C ATOM 0 H VAL A 63 -4.616 12.495 -6.486 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.465 13.137 -6.690 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.082 11.006 -5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.752 9.588 -7.905 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.216 11.264 -8.281 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.523 10.748 -8.462 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.564 9.002 -5.966 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.207 10.097 -6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.047 10.201 -4.756 1.00 0.00 H new ATOM 1058 N GLU A 64 -7.646 13.168 -4.150 1.00 0.00 N ATOM 1059 CA GLU A 64 -7.753 13.330 -2.712 1.00 0.00 C ATOM 1060 C GLU A 64 -8.381 12.026 -2.231 1.00 0.00 C ATOM 1061 O GLU A 64 -9.428 11.632 -2.737 1.00 0.00 O ATOM 1062 CB GLU A 64 -8.604 14.565 -2.375 1.00 0.00 C ATOM 1063 CG GLU A 64 -8.651 14.802 -0.859 1.00 0.00 C ATOM 1064 CD GLU A 64 -9.322 16.144 -0.515 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -10.568 16.205 -0.418 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -8.605 17.151 -0.317 1.00 0.00 O ATOM 0 H GLU A 64 -8.534 13.302 -4.634 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.795 13.505 -2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.190 15.443 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.616 14.430 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.196 13.989 -0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.638 14.787 -0.456 1.00 0.00 H new ATOM 1073 N VAL A 65 -7.724 11.326 -1.316 1.00 0.00 N ATOM 1074 CA VAL A 65 -8.201 10.089 -0.721 1.00 0.00 C ATOM 1075 C VAL A 65 -9.039 10.495 0.484 1.00 0.00 C ATOM 1076 O VAL A 65 -8.519 11.110 1.418 1.00 0.00 O ATOM 1077 CB VAL A 65 -7.007 9.194 -0.322 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -7.510 7.893 0.324 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -6.132 8.860 -1.545 1.00 0.00 C ATOM 0 H VAL A 65 -6.814 11.615 -0.957 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.801 9.503 -1.418 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.401 9.745 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.659 7.271 0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.091 8.130 1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.138 7.354 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.299 8.229 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.731 8.332 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.746 9.782 -1.979 1.00 0.00 H new ATOM 1089 N LEU A 66 -10.335 10.183 0.457 1.00 0.00 N ATOM 1090 CA LEU A 66 -11.248 10.528 1.539 1.00 0.00 C ATOM 1091 C LEU A 66 -11.077 9.550 2.697 1.00 0.00 C ATOM 1092 O LEU A 66 -11.158 9.964 3.853 1.00 0.00 O ATOM 1093 CB LEU A 66 -12.717 10.527 1.073 1.00 0.00 C ATOM 1094 CG LEU A 66 -13.122 11.571 0.012 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -12.557 12.968 0.295 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -12.728 11.147 -1.405 1.00 0.00 C ATOM 0 H LEU A 66 -10.778 9.685 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.001 11.538 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.945 9.537 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.349 10.673 1.949 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.209 11.623 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.878 13.656 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.923 13.320 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.468 12.923 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.035 11.916 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.647 11.016 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.220 10.207 -1.654 1.00 0.00 H new ATOM 1108 N GLY A 67 -10.826 8.271 2.403 1.00 0.00 N ATOM 1109 CA GLY A 67 -10.595 7.238 3.386 1.00 0.00 C ATOM 1110 C GLY A 67 -10.726 5.874 2.731 1.00 0.00 C ATOM 1111 O GLY A 67 -10.950 5.770 1.523 1.00 0.00 O ATOM 0 H GLY A 67 -10.779 7.928 1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.601 7.350 3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.312 7.331 4.202 1.00 0.00 H new ATOM 1115 N MET A 68 -10.570 4.823 3.529 1.00 0.00 N ATOM 1116 CA MET A 68 -10.814 3.453 3.085 1.00 0.00 C ATOM 1117 C MET A 68 -12.279 3.299 2.669 1.00 0.00 C ATOM 1118 O MET A 68 -13.173 3.943 3.227 1.00 0.00 O ATOM 1119 CB MET A 68 -10.454 2.435 4.180 1.00 0.00 C ATOM 1120 CG MET A 68 -8.955 2.376 4.510 1.00 0.00 C ATOM 1121 SD MET A 68 -7.875 1.688 3.220 1.00 0.00 S ATOM 1122 CE MET A 68 -8.280 -0.077 3.329 1.00 0.00 C ATOM 0 H MET A 68 -10.271 4.896 4.502 1.00 0.00 H new ATOM 0 HA MET A 68 -10.173 3.251 2.227 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.006 2.682 5.087 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.785 1.446 3.865 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.615 3.386 4.739 1.00 0.00 H new ATOM 0 HG3 MET A 68 -8.827 1.784 5.416 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.681 -0.633 2.608 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.065 -0.438 4.335 1.00 0.00 H new ATOM 0 HE3 MET A 68 -9.338 -0.222 3.110 1.00 0.00 H new ATOM 1132 N ALA A 69 -12.513 2.428 1.688 1.00 0.00 N ATOM 1133 CA ALA A 69 -13.844 2.029 1.253 1.00 0.00 C ATOM 1134 C ALA A 69 -14.564 1.244 2.370 1.00 0.00 C ATOM 1135 O ALA A 69 -13.917 0.838 3.342 1.00 0.00 O ATOM 1136 CB ALA A 69 -13.687 1.189 -0.019 1.00 0.00 C ATOM 0 H ALA A 69 -11.765 1.973 1.165 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.458 2.903 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.669 0.874 -0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.199 1.785 -0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.080 0.310 0.198 1.00 0.00 H new ATOM 1142 N PRO A 70 -15.885 1.007 2.251 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.620 0.134 3.157 1.00 0.00 C ATOM 1144 C PRO A 70 -15.978 -1.249 3.306 1.00 0.00 C ATOM 1145 O PRO A 70 -15.317 -1.755 2.393 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.033 0.023 2.573 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.197 1.332 1.807 1.00 0.00 C ATOM 1148 CD PRO A 70 -16.792 1.578 1.264 1.00 0.00 C ATOM 0 HA PRO A 70 -16.622 0.552 4.164 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.131 -0.842 1.917 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.785 -0.083 3.355 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -18.931 1.244 1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -18.529 2.143 2.456 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -16.660 1.106 0.291 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -16.605 2.643 1.130 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.261 -1.906 4.432 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.823 -3.274 4.700 1.00 0.00 C ATOM 1158 C ASP A 71 -16.337 -4.255 3.643 1.00 0.00 C ATOM 1159 O ASP A 71 -15.666 -5.240 3.354 1.00 0.00 O ATOM 1160 CB ASP A 71 -16.252 -3.728 6.103 1.00 0.00 C ATOM 1161 CG ASP A 71 -17.707 -4.225 6.166 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -18.633 -3.385 6.112 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -17.933 -5.446 6.310 1.00 0.00 O ATOM 0 H ASP A 71 -16.807 -1.498 5.191 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.734 -3.274 4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.589 -4.526 6.437 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.129 -2.898 6.799 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.486 -3.971 3.020 1.00 0.00 N ATOM 1169 CA ASP A 72 -18.058 -4.815 1.970 1.00 0.00 C ATOM 1170 C ASP A 72 -17.168 -4.855 0.724 1.00 0.00 C ATOM 1171 O ASP A 72 -17.111 -5.872 0.032 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.457 -4.318 1.598 1.00 0.00 C ATOM 1173 CG ASP A 72 -20.100 -5.222 0.533 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -20.458 -6.378 0.853 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -20.301 -4.766 -0.615 1.00 0.00 O ATOM 0 H ASP A 72 -18.046 -3.145 3.232 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.125 -5.829 2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.086 -4.294 2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.396 -3.296 1.223 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.435 -3.770 0.459 1.00 0.00 N ATOM 1181 CA GLU A 73 -15.416 -3.736 -0.584 1.00 0.00 C ATOM 1182 C GLU A 73 -14.137 -4.373 -0.036 1.00 0.00 C ATOM 1183 O GLU A 73 -13.527 -5.223 -0.688 1.00 0.00 O ATOM 1184 CB GLU A 73 -15.133 -2.287 -1.023 1.00 0.00 C ATOM 1185 CG GLU A 73 -16.358 -1.522 -1.551 1.00 0.00 C ATOM 1186 CD GLU A 73 -17.059 -2.202 -2.744 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -16.383 -2.762 -3.635 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -18.307 -2.136 -2.827 1.00 0.00 O ATOM 0 H GLU A 73 -16.535 -2.890 0.965 1.00 0.00 H new ATOM 0 HA GLU A 73 -15.770 -4.289 -1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.718 -1.740 -0.176 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.368 -2.300 -1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.077 -1.404 -0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.047 -0.521 -1.849 1.00 0.00 H new ATOM 1195 N CYS A 74 -13.751 -4.007 1.191 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.473 -4.399 1.775 1.00 0.00 C ATOM 1197 C CYS A 74 -12.401 -5.871 2.205 1.00 0.00 C ATOM 1198 O CYS A 74 -11.391 -6.303 2.755 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.071 -3.432 2.890 1.00 0.00 C ATOM 1200 SG CYS A 74 -12.004 -1.739 2.228 1.00 0.00 S ATOM 0 H CYS A 74 -14.322 -3.428 1.806 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.732 -4.323 0.979 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.788 -3.486 3.709 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.100 -3.713 3.298 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.842 -0.986 2.876 1.00 0.00 H new ATOM 1206 N LEU A 75 -13.450 -6.651 1.949 1.00 0.00 N ATOM 1207 CA LEU A 75 -13.471 -8.106 2.089 1.00 0.00 C ATOM 1208 C LEU A 75 -12.869 -8.779 0.852 1.00 0.00 C ATOM 1209 O LEU A 75 -12.578 -9.975 0.893 1.00 0.00 O ATOM 1210 CB LEU A 75 -14.926 -8.585 2.261 1.00 0.00 C ATOM 1211 CG LEU A 75 -15.410 -8.568 3.722 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -16.936 -8.670 3.756 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -14.801 -9.722 4.531 1.00 0.00 C ATOM 0 H LEU A 75 -14.341 -6.273 1.627 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.879 -8.377 2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.581 -7.953 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.015 -9.598 1.869 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.086 -7.631 4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.278 -8.658 4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.369 -7.825 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.249 -9.600 3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.165 -9.678 5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.091 -10.673 4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.714 -9.635 4.527 1.00 0.00 H new ATOM 1225 N LYS A 76 -12.702 -8.037 -0.247 1.00 0.00 N ATOM 1226 CA LYS A 76 -12.347 -8.582 -1.554 1.00 0.00 C ATOM 1227 C LYS A 76 -10.929 -8.164 -1.918 1.00 0.00 C ATOM 1228 O LYS A 76 -10.144 -8.998 -2.367 1.00 0.00 O ATOM 1229 CB LYS A 76 -13.350 -8.084 -2.614 1.00 0.00 C ATOM 1230 CG LYS A 76 -14.815 -8.398 -2.262 1.00 0.00 C ATOM 1231 CD LYS A 76 -15.772 -7.864 -3.335 1.00 0.00 C ATOM 1232 CE LYS A 76 -17.224 -8.109 -2.902 1.00 0.00 C ATOM 1233 NZ LYS A 76 -18.201 -7.620 -3.907 1.00 0.00 N ATOM 0 H LYS A 76 -12.812 -7.023 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.389 -9.671 -1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.236 -7.007 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.109 -8.539 -3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.944 -9.476 -2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.063 -7.955 -1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -15.603 -6.798 -3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.578 -8.358 -4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.377 -9.176 -2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.406 -7.611 -1.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -19.167 -7.807 -3.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -18.074 -6.597 -4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.047 -8.113 -4.810 1.00 0.00 H new ATOM 1247 N ASP A 77 -10.594 -6.893 -1.694 1.00 0.00 N ATOM 1248 CA ASP A 77 -9.267 -6.309 -1.910 1.00 0.00 C ATOM 1249 C ASP A 77 -9.245 -4.968 -1.170 1.00 0.00 C ATOM 1250 O ASP A 77 -10.310 -4.494 -0.776 1.00 0.00 O ATOM 1251 CB ASP A 77 -9.005 -6.102 -3.412 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.555 -5.695 -3.705 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.639 -6.235 -3.045 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -7.333 -4.884 -4.630 1.00 0.00 O ATOM 0 H ASP A 77 -11.267 -6.212 -1.342 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.486 -6.971 -1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.236 -7.023 -3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.678 -5.334 -3.793 1.00 0.00 H new ATOM 1259 N MET A 78 -8.091 -4.340 -0.940 1.00 0.00 N ATOM 1260 CA MET A 78 -8.067 -3.064 -0.220 1.00 0.00 C ATOM 1261 C MET A 78 -8.451 -1.937 -1.179 1.00 0.00 C ATOM 1262 O MET A 78 -7.826 -1.771 -2.230 1.00 0.00 O ATOM 1263 CB MET A 78 -6.689 -2.798 0.396 1.00 0.00 C ATOM 1264 CG MET A 78 -6.334 -3.784 1.512 1.00 0.00 C ATOM 1265 SD MET A 78 -7.454 -3.814 2.940 1.00 0.00 S ATOM 1266 CE MET A 78 -8.315 -5.373 2.601 1.00 0.00 C ATOM 0 H MET A 78 -7.177 -4.684 -1.235 1.00 0.00 H new ATOM 0 HA MET A 78 -8.787 -3.110 0.597 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.931 -2.853 -0.385 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.664 -1.783 0.793 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.296 -4.786 1.085 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.330 -3.552 1.868 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.920 -5.650 3.465 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.960 -5.251 1.731 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.584 -6.157 2.403 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.434 -1.120 -0.792 1.00 0.00 N ATOM 1277 CA TYR A 79 -9.976 -0.043 -1.613 1.00 0.00 C ATOM 1278 C TYR A 79 -10.105 1.231 -0.780 1.00 0.00 C ATOM 1279 O TYR A 79 -10.213 1.182 0.447 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.357 -0.444 -2.163 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.383 -1.498 -3.254 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -11.093 -1.145 -4.585 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.788 -2.812 -2.956 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.194 -2.101 -5.611 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -11.894 -3.775 -3.974 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.590 -3.424 -5.310 1.00 0.00 C ATOM 1287 OH TYR A 79 -11.684 -4.342 -6.313 1.00 0.00 O ATOM 0 H TYR A 79 -9.882 -1.193 0.121 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.299 0.140 -2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.962 -0.803 -1.331 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.843 0.453 -2.547 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.791 -0.135 -4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.019 -3.083 -1.936 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.969 -1.824 -6.630 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.207 -4.781 -3.737 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.967 -5.204 -5.942 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.143 2.368 -1.468 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.199 3.703 -0.897 1.00 0.00 C ATOM 1299 C VAL A 80 -11.151 4.536 -1.748 1.00 0.00 C ATOM 1300 O VAL A 80 -11.181 4.396 -2.971 1.00 0.00 O ATOM 1301 CB VAL A 80 -8.793 4.342 -0.846 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -7.998 3.885 0.380 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -7.931 4.078 -2.091 1.00 0.00 C ATOM 0 H VAL A 80 -10.135 2.380 -2.488 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.561 3.657 0.130 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.999 5.411 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.017 4.359 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.533 4.168 1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.878 2.802 0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.962 4.562 -1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.788 3.004 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.431 4.480 -2.972 1.00 0.00 H new ATOM 1313 N GLU A 81 -11.936 5.392 -1.102 1.00 0.00 N ATOM 1314 CA GLU A 81 -12.751 6.388 -1.780 1.00 0.00 C ATOM 1315 C GLU A 81 -11.839 7.561 -2.135 1.00 0.00 C ATOM 1316 O GLU A 81 -11.053 8.007 -1.292 1.00 0.00 O ATOM 1317 CB GLU A 81 -13.902 6.853 -0.876 1.00 0.00 C ATOM 1318 CG GLU A 81 -14.927 5.737 -0.637 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.141 6.247 0.160 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.085 6.288 1.410 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.175 6.594 -0.455 1.00 0.00 O ATOM 0 H GLU A 81 -12.024 5.412 -0.086 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.197 5.966 -2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.500 7.188 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -14.398 7.710 -1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.261 5.337 -1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.454 4.917 -0.097 1.00 0.00 H new ATOM 1328 N VAL A 82 -11.944 8.073 -3.362 1.00 0.00 N ATOM 1329 CA VAL A 82 -11.057 9.115 -3.872 1.00 0.00 C ATOM 1330 C VAL A 82 -11.854 10.143 -4.681 1.00 0.00 C ATOM 1331 O VAL A 82 -12.865 9.795 -5.286 1.00 0.00 O ATOM 1332 CB VAL A 82 -9.891 8.497 -4.683 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -9.103 7.441 -3.892 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -10.318 7.867 -6.018 1.00 0.00 C ATOM 0 H VAL A 82 -12.652 7.773 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.608 9.643 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.254 9.356 -4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.300 7.045 -4.514 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.679 7.898 -2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.771 6.630 -3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.443 7.458 -6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.036 7.068 -5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.778 8.628 -6.649 1.00 0.00 H new ATOM 1344 N ALA A 83 -11.396 11.393 -4.740 1.00 0.00 N ATOM 1345 CA ALA A 83 -11.998 12.466 -5.523 1.00 0.00 C ATOM 1346 C ALA A 83 -10.925 13.011 -6.457 1.00 0.00 C ATOM 1347 O ALA A 83 -9.772 13.171 -6.057 1.00 0.00 O ATOM 1348 CB ALA A 83 -12.542 13.561 -4.602 1.00 0.00 C ATOM 0 H ALA A 83 -10.568 11.694 -4.226 1.00 0.00 H new ATOM 0 HA ALA A 83 -12.841 12.093 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.988 14.354 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.298 13.138 -3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.728 13.972 -4.005 1.00 0.00 H new ATOM 1354 N ASP A 84 -11.292 13.264 -7.709 1.00 0.00 N ATOM 1355 CA ASP A 84 -10.341 13.578 -8.774 1.00 0.00 C ATOM 1356 C ASP A 84 -9.955 15.057 -8.793 1.00 0.00 C ATOM 1357 O ASP A 84 -10.578 15.870 -9.476 1.00 0.00 O ATOM 1358 CB ASP A 84 -10.918 13.131 -10.122 1.00 0.00 C ATOM 1359 CG ASP A 84 -10.061 13.608 -11.303 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -8.819 13.508 -11.218 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -10.638 14.068 -12.314 1.00 0.00 O ATOM 0 H ASP A 84 -12.264 13.257 -8.017 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.419 13.029 -8.580 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.990 12.044 -10.143 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.931 13.519 -10.229 1.00 0.00 H new ATOM 1366 N ILE A 85 -8.895 15.409 -8.062 1.00 0.00 N ATOM 1367 CA ILE A 85 -8.297 16.748 -8.080 1.00 0.00 C ATOM 1368 C ILE A 85 -7.920 17.137 -9.526 1.00 0.00 C ATOM 1369 O ILE A 85 -7.949 18.320 -9.871 1.00 0.00 O ATOM 1370 CB ILE A 85 -7.070 16.837 -7.134 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -7.317 16.243 -5.727 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -6.621 18.299 -6.946 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -6.041 16.169 -4.873 1.00 0.00 C ATOM 0 H ILE A 85 -8.420 14.763 -7.431 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.035 17.459 -7.710 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.300 16.244 -7.627 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.060 16.849 -5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.737 15.242 -5.830 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.760 18.332 -6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.348 18.723 -7.912 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.437 18.878 -6.514 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.280 15.744 -3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.305 15.540 -5.373 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.632 17.171 -4.742 1.00 0.00 H new ATOM 1385 N GLY A 86 -7.606 16.157 -10.384 1.00 0.00 N ATOM 1386 CA GLY A 86 -7.315 16.361 -11.797 1.00 0.00 C ATOM 1387 C GLY A 86 -8.437 17.077 -12.561 1.00 0.00 C ATOM 1388 O GLY A 86 -8.147 17.724 -13.570 1.00 0.00 O ATOM 0 H GLY A 86 -7.548 15.179 -10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.397 16.941 -11.890 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.129 15.394 -12.264 1.00 0.00 H new ATOM 1392 N GLY A 87 -9.690 17.027 -12.090 1.00 0.00 N ATOM 1393 CA GLY A 87 -10.766 17.841 -12.638 1.00 0.00 C ATOM 1394 C GLY A 87 -12.130 17.512 -12.041 1.00 0.00 C ATOM 1395 O GLY A 87 -12.856 18.426 -11.646 1.00 0.00 O ATOM 0 H GLY A 87 -9.978 16.422 -11.321 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.543 18.893 -12.461 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.806 17.700 -13.718 1.00 0.00 H new ATOM 1399 N LYS A 88 -12.490 16.229 -11.938 1.00 0.00 N ATOM 1400 CA LYS A 88 -13.823 15.791 -11.504 1.00 0.00 C ATOM 1401 C LYS A 88 -13.922 15.742 -9.973 1.00 0.00 C ATOM 1402 O LYS A 88 -14.494 14.811 -9.411 1.00 0.00 O ATOM 1403 CB LYS A 88 -14.193 14.451 -12.174 1.00 0.00 C ATOM 1404 CG LYS A 88 -14.143 14.447 -13.712 1.00 0.00 C ATOM 1405 CD LYS A 88 -15.101 15.460 -14.358 1.00 0.00 C ATOM 1406 CE LYS A 88 -15.074 15.303 -15.885 1.00 0.00 C ATOM 1407 NZ LYS A 88 -15.988 16.255 -16.565 1.00 0.00 N ATOM 0 H LYS A 88 -11.860 15.457 -12.155 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.559 16.526 -11.831 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -13.518 13.680 -11.803 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.199 14.172 -11.859 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -13.125 14.664 -14.035 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -14.386 13.448 -14.073 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.114 15.305 -13.985 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -14.812 16.474 -14.083 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -14.057 15.458 -16.246 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -15.354 14.283 -16.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.936 16.112 -17.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -16.963 16.091 -16.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.707 17.230 -16.337 1.00 0.00 H new ATOM 1421 N ASP A 89 -13.366 16.741 -9.286 1.00 0.00 N ATOM 1422 CA ASP A 89 -13.363 16.851 -7.825 1.00 0.00 C ATOM 1423 C ASP A 89 -14.786 16.994 -7.265 1.00 0.00 C ATOM 1424 O ASP A 89 -15.041 16.681 -6.103 1.00 0.00 O ATOM 1425 CB ASP A 89 -12.511 18.058 -7.416 1.00 0.00 C ATOM 1426 CG ASP A 89 -12.506 18.264 -5.892 1.00 0.00 C ATOM 1427 OD1 ASP A 89 -11.871 17.463 -5.173 1.00 0.00 O ATOM 1428 OD2 ASP A 89 -13.094 19.262 -5.415 1.00 0.00 O ATOM 0 H ASP A 89 -12.891 17.519 -9.744 1.00 0.00 H new ATOM 0 HA ASP A 89 -12.940 15.936 -7.410 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -11.489 17.917 -7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.894 18.955 -7.903 1.00 0.00 H new ATOM 1433 N ASP A 90 -15.724 17.439 -8.108 1.00 0.00 N ATOM 1434 CA ASP A 90 -17.153 17.543 -7.809 1.00 0.00 C ATOM 1435 C ASP A 90 -17.822 16.173 -7.591 1.00 0.00 C ATOM 1436 O ASP A 90 -18.963 16.111 -7.131 1.00 0.00 O ATOM 1437 CB ASP A 90 -17.840 18.295 -8.959 1.00 0.00 C ATOM 1438 CG ASP A 90 -19.333 18.552 -8.690 1.00 0.00 C ATOM 1439 OD1 ASP A 90 -19.663 19.304 -7.745 1.00 0.00 O ATOM 1440 OD2 ASP A 90 -20.186 18.058 -9.462 1.00 0.00 O ATOM 0 H ASP A 90 -15.498 17.748 -9.053 1.00 0.00 H new ATOM 0 HA ASP A 90 -17.263 18.088 -6.871 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -17.334 19.247 -9.119 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -17.734 17.720 -9.879 1.00 0.00 H new ATOM 1445 N ASP A 91 -17.130 15.067 -7.888 1.00 0.00 N ATOM 1446 CA ASP A 91 -17.633 13.701 -7.762 1.00 0.00 C ATOM 1447 C ASP A 91 -16.568 12.822 -7.093 1.00 0.00 C ATOM 1448 O ASP A 91 -15.415 13.234 -6.932 1.00 0.00 O ATOM 1449 CB ASP A 91 -18.034 13.168 -9.150 1.00 0.00 C ATOM 1450 CG ASP A 91 -18.807 11.835 -9.099 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -19.433 11.519 -8.062 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -18.834 11.116 -10.122 1.00 0.00 O ATOM 0 H ASP A 91 -16.171 15.104 -8.234 1.00 0.00 H new ATOM 0 HA ASP A 91 -18.522 13.683 -7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -18.647 13.915 -9.654 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -17.135 13.035 -9.752 1.00 0.00 H new ATOM 1457 N VAL A 92 -16.951 11.618 -6.673 1.00 0.00 N ATOM 1458 CA VAL A 92 -16.126 10.720 -5.875 1.00 0.00 C ATOM 1459 C VAL A 92 -16.213 9.324 -6.505 1.00 0.00 C ATOM 1460 O VAL A 92 -17.229 8.941 -7.094 1.00 0.00 O ATOM 1461 CB VAL A 92 -16.582 10.739 -4.395 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -15.620 9.984 -3.465 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -16.735 12.165 -3.832 1.00 0.00 C ATOM 0 H VAL A 92 -17.871 11.231 -6.886 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.084 11.040 -5.872 1.00 0.00 H new ATOM 0 HB VAL A 92 -17.551 10.241 -4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -15.991 10.032 -2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.553 8.942 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.632 10.442 -3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -17.056 12.113 -2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -15.778 12.684 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -17.479 12.708 -4.415 1.00 0.00 H new ATOM 1473 N TYR A 93 -15.122 8.582 -6.371 1.00 0.00 N ATOM 1474 CA TYR A 93 -14.837 7.319 -7.027 1.00 0.00 C ATOM 1475 C TYR A 93 -14.216 6.373 -5.995 1.00 0.00 C ATOM 1476 O TYR A 93 -14.024 6.744 -4.834 1.00 0.00 O ATOM 1477 CB TYR A 93 -13.865 7.585 -8.195 1.00 0.00 C ATOM 1478 CG TYR A 93 -14.341 8.622 -9.200 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -15.143 8.228 -10.288 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -13.998 9.981 -9.038 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -15.603 9.183 -11.212 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -14.464 10.944 -9.952 1.00 0.00 C ATOM 1483 CZ TYR A 93 -15.267 10.547 -11.046 1.00 0.00 C ATOM 1484 OH TYR A 93 -15.704 11.479 -11.938 1.00 0.00 O ATOM 0 H TYR A 93 -14.361 8.870 -5.757 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.742 6.861 -7.425 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.908 7.909 -7.786 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.686 6.647 -8.720 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -15.406 7.188 -10.413 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.375 10.283 -8.209 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -16.213 8.875 -12.048 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -14.209 11.985 -9.818 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.561 11.192 -12.317 1.00 0.00 H new ATOM 1494 N THR A 94 -13.854 5.168 -6.428 1.00 0.00 N ATOM 1495 CA THR A 94 -13.149 4.195 -5.604 1.00 0.00 C ATOM 1496 C THR A 94 -11.929 3.721 -6.395 1.00 0.00 C ATOM 1497 O THR A 94 -12.020 3.494 -7.605 1.00 0.00 O ATOM 1498 CB THR A 94 -14.092 3.041 -5.202 1.00 0.00 C ATOM 1499 OG1 THR A 94 -15.366 3.524 -4.807 1.00 0.00 O ATOM 1500 CG2 THR A 94 -13.531 2.226 -4.033 1.00 0.00 C ATOM 0 H THR A 94 -14.045 4.837 -7.374 1.00 0.00 H new ATOM 0 HA THR A 94 -12.811 4.639 -4.668 1.00 0.00 H new ATOM 0 HB THR A 94 -14.182 2.411 -6.087 1.00 0.00 H new ATOM 0 HG1 THR A 94 -15.940 2.769 -4.560 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.225 1.424 -3.782 1.00 0.00 H new ATOM 0 HG22 THR A 94 -12.569 1.798 -4.316 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.398 2.875 -3.167 1.00 0.00 H new ATOM 1508 N ALA A 95 -10.799 3.579 -5.706 1.00 0.00 N ATOM 1509 CA ALA A 95 -9.534 3.113 -6.250 1.00 0.00 C ATOM 1510 C ALA A 95 -9.019 1.997 -5.347 1.00 0.00 C ATOM 1511 O ALA A 95 -9.365 1.937 -4.165 1.00 0.00 O ATOM 1512 CB ALA A 95 -8.539 4.281 -6.301 1.00 0.00 C ATOM 0 H ALA A 95 -10.742 3.796 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.660 2.733 -7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.590 3.933 -6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -8.938 5.072 -6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.381 4.669 -5.295 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.188 1.105 -5.883 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.486 0.132 -5.067 1.00 0.00 C ATOM 1520 C LYS A 96 -6.430 0.891 -4.280 1.00 0.00 C ATOM 1521 O LYS A 96 -5.712 1.711 -4.855 1.00 0.00 O ATOM 1522 CB LYS A 96 -6.823 -0.922 -5.959 1.00 0.00 C ATOM 1523 CG LYS A 96 -7.837 -1.822 -6.681 1.00 0.00 C ATOM 1524 CD LYS A 96 -7.129 -2.716 -7.707 1.00 0.00 C ATOM 1525 CE LYS A 96 -6.888 -1.966 -9.027 1.00 0.00 C ATOM 1526 NZ LYS A 96 -5.692 -2.458 -9.751 1.00 0.00 N ATOM 0 H LYS A 96 -7.988 1.041 -6.881 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.174 -0.383 -4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.198 -0.422 -6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.164 -1.542 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.365 -2.440 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.586 -1.208 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.177 -3.057 -7.300 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.731 -3.605 -7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.764 -2.072 -9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.771 -0.902 -8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.677 -2.057 -10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.833 -2.167 -9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.725 -3.496 -9.810 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.265 0.569 -2.999 1.00 0.00 N ATOM 1541 CA LEU A 97 -5.131 1.065 -2.213 1.00 0.00 C ATOM 1542 C LEU A 97 -3.820 0.610 -2.878 1.00 0.00 C ATOM 1543 O LEU A 97 -2.810 1.307 -2.836 1.00 0.00 O ATOM 1544 CB LEU A 97 -5.231 0.534 -0.773 1.00 0.00 C ATOM 1545 CG LEU A 97 -4.155 1.094 0.182 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.339 2.595 0.435 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -4.234 0.359 1.521 1.00 0.00 C ATOM 0 H LEU A 97 -6.902 -0.035 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.146 2.154 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.216 0.777 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.154 -0.553 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.184 0.942 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.561 2.948 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.270 3.134 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.317 2.771 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.475 0.752 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.221 0.506 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.062 -0.706 1.362 1.00 0.00 H new ATOM 1559 N SER A 98 -3.878 -0.541 -3.550 1.00 0.00 N ATOM 1560 CA SER A 98 -2.824 -1.168 -4.339 1.00 0.00 C ATOM 1561 C SER A 98 -2.299 -0.276 -5.471 1.00 0.00 C ATOM 1562 O SER A 98 -1.176 -0.462 -5.941 1.00 0.00 O ATOM 1563 CB SER A 98 -3.441 -2.434 -4.945 1.00 0.00 C ATOM 1564 OG SER A 98 -4.290 -3.064 -3.990 1.00 0.00 O ATOM 0 H SER A 98 -4.731 -1.100 -3.555 1.00 0.00 H new ATOM 0 HA SER A 98 -1.970 -1.371 -3.693 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.010 -2.180 -5.839 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.653 -3.121 -5.254 1.00 0.00 H new ATOM 0 HG SER A 98 -4.682 -3.871 -4.383 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.113 0.688 -5.898 1.00 0.00 N ATOM 1571 CA ASP A 99 -2.861 1.563 -7.041 1.00 0.00 C ATOM 1572 C ASP A 99 -2.663 3.008 -6.564 1.00 0.00 C ATOM 1573 O ASP A 99 -2.624 3.920 -7.384 1.00 0.00 O ATOM 1574 CB ASP A 99 -4.022 1.479 -8.059 1.00 0.00 C ATOM 1575 CG ASP A 99 -4.052 0.229 -8.951 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -3.766 -0.896 -8.479 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -4.473 0.356 -10.123 1.00 0.00 O ATOM 0 H ASP A 99 -4.001 0.889 -5.439 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.950 1.232 -7.540 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.963 1.532 -7.511 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.978 2.358 -8.702 1.00 0.00 H new ATOM 1582 N ILE A 100 -2.539 3.259 -5.257 1.00 0.00 N ATOM 1583 CA ILE A 100 -2.425 4.606 -4.702 1.00 0.00 C ATOM 1584 C ILE A 100 -1.009 4.822 -4.182 1.00 0.00 C ATOM 1585 O ILE A 100 -0.347 3.913 -3.675 1.00 0.00 O ATOM 1586 CB ILE A 100 -3.544 4.844 -3.656 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -4.831 5.250 -4.407 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.220 5.851 -2.533 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -4.956 6.725 -4.798 1.00 0.00 C ATOM 0 H ILE A 100 -2.515 2.524 -4.550 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.581 5.363 -5.471 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.666 3.902 -3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.901 4.649 -5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.687 4.988 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.075 5.936 -1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.352 5.504 -1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.003 6.826 -2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.900 6.885 -5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.927 7.343 -3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.130 6.999 -5.454 1.00 0.00 H new ATOM 1601 N GLU A 101 -0.576 6.069 -4.314 1.00 0.00 N ATOM 1602 CA GLU A 101 0.743 6.556 -3.955 1.00 0.00 C ATOM 1603 C GLU A 101 0.512 7.880 -3.229 1.00 0.00 C ATOM 1604 O GLU A 101 0.213 8.892 -3.861 1.00 0.00 O ATOM 1605 CB GLU A 101 1.561 6.720 -5.247 1.00 0.00 C ATOM 1606 CG GLU A 101 3.025 7.114 -5.018 1.00 0.00 C ATOM 1607 CD GLU A 101 3.872 5.913 -4.572 1.00 0.00 C ATOM 1608 OE1 GLU A 101 4.386 5.188 -5.455 1.00 0.00 O ATOM 1609 OE2 GLU A 101 4.037 5.701 -3.350 1.00 0.00 O ATOM 0 H GLU A 101 -1.170 6.805 -4.695 1.00 0.00 H new ATOM 0 HA GLU A 101 1.302 5.881 -3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.531 5.783 -5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.086 7.477 -5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 101 3.438 7.530 -5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.077 7.897 -4.262 1.00 0.00 H new ATOM 1616 N ALA A 102 0.553 7.874 -1.896 1.00 0.00 N ATOM 1617 CA ALA A 102 0.295 9.083 -1.120 1.00 0.00 C ATOM 1618 C ALA A 102 1.395 10.116 -1.366 1.00 0.00 C ATOM 1619 O ALA A 102 2.561 9.766 -1.569 1.00 0.00 O ATOM 1620 CB ALA A 102 0.201 8.763 0.370 1.00 0.00 C ATOM 0 H ALA A 102 0.762 7.048 -1.335 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.660 9.497 -1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.008 9.680 0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.612 8.057 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.140 8.323 0.708 1.00 0.00 H new ATOM 1626 N ILE A 103 1.018 11.391 -1.288 1.00 0.00 N ATOM 1627 CA ILE A 103 1.900 12.526 -1.530 1.00 0.00 C ATOM 1628 C ILE A 103 2.003 13.318 -0.225 1.00 0.00 C ATOM 1629 O ILE A 103 0.986 13.670 0.376 1.00 0.00 O ATOM 1630 CB ILE A 103 1.353 13.380 -2.701 1.00 0.00 C ATOM 1631 CG1 ILE A 103 1.287 12.584 -4.028 1.00 0.00 C ATOM 1632 CG2 ILE A 103 2.216 14.638 -2.911 1.00 0.00 C ATOM 1633 CD1 ILE A 103 0.414 13.263 -5.093 1.00 0.00 C ATOM 0 H ILE A 103 0.066 11.668 -1.048 1.00 0.00 H new ATOM 0 HA ILE A 103 2.898 12.201 -1.825 1.00 0.00 H new ATOM 0 HB ILE A 103 0.339 13.669 -2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.296 12.458 -4.420 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.896 11.586 -3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.813 15.222 -3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.207 15.241 -2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.240 14.343 -3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.408 12.657 -5.999 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.604 13.365 -4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.818 14.250 -5.319 1.00 0.00 H new ATOM 1645 N ASP A 104 3.246 13.625 0.167 1.00 0.00 N ATOM 1646 CA ASP A 104 3.608 14.484 1.300 1.00 0.00 C ATOM 1647 C ASP A 104 2.827 14.146 2.581 1.00 0.00 C ATOM 1648 O ASP A 104 2.341 15.027 3.296 1.00 0.00 O ATOM 1649 CB ASP A 104 3.515 15.961 0.886 1.00 0.00 C ATOM 1650 CG ASP A 104 4.076 16.916 1.957 1.00 0.00 C ATOM 1651 OD1 ASP A 104 5.173 16.658 2.502 1.00 0.00 O ATOM 1652 OD2 ASP A 104 3.453 17.972 2.217 1.00 0.00 O ATOM 0 H ASP A 104 4.065 13.263 -0.321 1.00 0.00 H new ATOM 0 HA ASP A 104 4.646 14.285 1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 104 4.060 16.108 -0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 104 2.473 16.214 0.690 1.00 0.00 H new ATOM 1657 N VAL A 105 2.648 12.847 2.841 1.00 0.00 N ATOM 1658 CA VAL A 105 1.782 12.349 3.906 1.00 0.00 C ATOM 1659 C VAL A 105 2.601 12.001 5.161 1.00 0.00 C ATOM 1660 O VAL A 105 3.837 12.021 5.133 1.00 0.00 O ATOM 1661 CB VAL A 105 0.912 11.205 3.338 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.589 9.824 3.332 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -0.449 11.163 4.033 1.00 0.00 C ATOM 0 H VAL A 105 3.107 12.107 2.310 1.00 0.00 H new ATOM 0 HA VAL A 105 1.091 13.118 4.252 1.00 0.00 H new ATOM 0 HB VAL A 105 0.767 11.443 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.904 9.085 2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.492 9.864 2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.851 9.543 4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.045 10.350 3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.307 10.999 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.967 12.109 3.876 1.00 0.00 H new ATOM 1673 N ASP A 106 1.917 11.706 6.273 1.00 0.00 N ATOM 1674 CA ASP A 106 2.559 11.311 7.525 1.00 0.00 C ATOM 1675 C ASP A 106 3.257 9.960 7.378 1.00 0.00 C ATOM 1676 O ASP A 106 2.929 9.155 6.506 1.00 0.00 O ATOM 1677 CB ASP A 106 1.539 11.218 8.666 1.00 0.00 C ATOM 1678 CG ASP A 106 2.213 11.177 10.045 1.00 0.00 C ATOM 1679 OD1 ASP A 106 2.524 12.255 10.599 1.00 0.00 O ATOM 1680 OD2 ASP A 106 2.455 10.064 10.559 1.00 0.00 O ATOM 0 H ASP A 106 0.899 11.736 6.326 1.00 0.00 H new ATOM 0 HA ASP A 106 3.296 12.078 7.762 1.00 0.00 H new ATOM 0 HB2 ASP A 106 0.864 12.073 8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 106 0.930 10.324 8.535 1.00 0.00 H new ATOM 1685 N ASP A 107 4.181 9.688 8.289 1.00 0.00 N ATOM 1686 CA ASP A 107 4.955 8.452 8.326 1.00 0.00 C ATOM 1687 C ASP A 107 4.043 7.246 8.525 1.00 0.00 C ATOM 1688 O ASP A 107 4.257 6.223 7.881 1.00 0.00 O ATOM 1689 CB ASP A 107 5.991 8.519 9.451 1.00 0.00 C ATOM 1690 CG ASP A 107 6.785 7.206 9.553 1.00 0.00 C ATOM 1691 OD1 ASP A 107 7.660 6.958 8.693 1.00 0.00 O ATOM 1692 OD2 ASP A 107 6.582 6.449 10.529 1.00 0.00 O ATOM 0 H ASP A 107 4.420 10.335 9.041 1.00 0.00 H new ATOM 0 HA ASP A 107 5.468 8.338 7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.675 9.348 9.270 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.491 8.719 10.398 1.00 0.00 H new ATOM 1697 N ASP A 108 3.003 7.364 9.359 1.00 0.00 N ATOM 1698 CA ASP A 108 2.085 6.253 9.598 1.00 0.00 C ATOM 1699 C ASP A 108 1.282 5.958 8.331 1.00 0.00 C ATOM 1700 O ASP A 108 1.241 4.812 7.884 1.00 0.00 O ATOM 1701 CB ASP A 108 1.145 6.532 10.781 1.00 0.00 C ATOM 1702 CG ASP A 108 1.792 6.226 12.141 1.00 0.00 C ATOM 1703 OD1 ASP A 108 2.139 5.052 12.402 1.00 0.00 O ATOM 1704 OD2 ASP A 108 1.926 7.146 12.980 1.00 0.00 O ATOM 0 H ASP A 108 2.780 8.215 9.876 1.00 0.00 H new ATOM 0 HA ASP A 108 2.680 5.377 9.858 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.838 7.578 10.757 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.242 5.932 10.670 1.00 0.00 H new ATOM 1709 N THR A 109 0.690 6.975 7.700 1.00 0.00 N ATOM 1710 CA THR A 109 -0.073 6.803 6.469 1.00 0.00 C ATOM 1711 C THR A 109 0.815 6.188 5.379 1.00 0.00 C ATOM 1712 O THR A 109 0.395 5.240 4.709 1.00 0.00 O ATOM 1713 CB THR A 109 -0.686 8.161 6.075 1.00 0.00 C ATOM 1714 OG1 THR A 109 -1.321 8.727 7.214 1.00 0.00 O ATOM 1715 CG2 THR A 109 -1.755 8.052 4.988 1.00 0.00 C ATOM 0 H THR A 109 0.728 7.939 8.031 1.00 0.00 H new ATOM 0 HA THR A 109 -0.896 6.103 6.612 1.00 0.00 H new ATOM 0 HB THR A 109 0.135 8.769 5.696 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.713 9.593 6.974 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.144 9.044 4.759 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.317 7.618 4.089 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.568 7.416 5.339 1.00 0.00 H new ATOM 1723 N GLN A 110 2.061 6.659 5.245 1.00 0.00 N ATOM 1724 CA GLN A 110 3.002 6.106 4.284 1.00 0.00 C ATOM 1725 C GLN A 110 3.292 4.637 4.621 1.00 0.00 C ATOM 1726 O GLN A 110 3.260 3.799 3.726 1.00 0.00 O ATOM 1727 CB GLN A 110 4.280 6.968 4.248 1.00 0.00 C ATOM 1728 CG GLN A 110 4.994 6.948 2.887 1.00 0.00 C ATOM 1729 CD GLN A 110 5.502 5.564 2.480 1.00 0.00 C ATOM 1730 OE1 GLN A 110 6.409 5.010 3.095 1.00 0.00 O ATOM 1731 NE2 GLN A 110 4.931 4.979 1.438 1.00 0.00 N ATOM 0 H GLN A 110 2.436 7.429 5.799 1.00 0.00 H new ATOM 0 HA GLN A 110 2.569 6.127 3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 110 4.022 7.997 4.499 1.00 0.00 H new ATOM 0 HB3 GLN A 110 4.968 6.615 5.016 1.00 0.00 H new ATOM 0 HG2 GLN A 110 4.309 7.313 2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 110 5.836 7.640 2.918 1.00 0.00 H new ATOM 0 HE21 GLN A 110 4.179 5.451 0.937 1.00 0.00 H new ATOM 0 HE22 GLN A 110 5.244 4.056 1.137 1.00 0.00 H new ATOM 1740 N GLU A 111 3.520 4.294 5.891 1.00 0.00 N ATOM 1741 CA GLU A 111 3.827 2.930 6.311 1.00 0.00 C ATOM 1742 C GLU A 111 2.693 1.963 5.995 1.00 0.00 C ATOM 1743 O GLU A 111 2.968 0.856 5.539 1.00 0.00 O ATOM 1744 CB GLU A 111 4.141 2.889 7.812 1.00 0.00 C ATOM 1745 CG GLU A 111 5.603 3.241 8.086 1.00 0.00 C ATOM 1746 CD GLU A 111 6.520 2.039 7.817 1.00 0.00 C ATOM 1747 OE1 GLU A 111 6.677 1.187 8.722 1.00 0.00 O ATOM 1748 OE2 GLU A 111 7.078 1.902 6.706 1.00 0.00 O ATOM 0 H GLU A 111 3.496 4.963 6.661 1.00 0.00 H new ATOM 0 HA GLU A 111 4.703 2.611 5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.492 3.587 8.340 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.925 1.895 8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 111 5.903 4.079 7.457 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.715 3.563 9.121 1.00 0.00 H new ATOM 1755 N ALA A 112 1.437 2.366 6.195 1.00 0.00 N ATOM 1756 CA ALA A 112 0.289 1.533 5.848 1.00 0.00 C ATOM 1757 C ALA A 112 0.314 1.183 4.359 1.00 0.00 C ATOM 1758 O ALA A 112 0.107 0.031 3.977 1.00 0.00 O ATOM 1759 CB ALA A 112 -1.006 2.276 6.182 1.00 0.00 C ATOM 0 H ALA A 112 1.190 3.270 6.598 1.00 0.00 H new ATOM 0 HA ALA A 112 0.338 0.610 6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.861 1.652 5.922 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.032 2.501 7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.049 3.205 5.614 1.00 0.00 H new ATOM 1765 N ILE A 113 0.575 2.187 3.522 1.00 0.00 N ATOM 1766 CA ILE A 113 0.592 2.045 2.074 1.00 0.00 C ATOM 1767 C ILE A 113 1.789 1.189 1.659 1.00 0.00 C ATOM 1768 O ILE A 113 1.616 0.244 0.895 1.00 0.00 O ATOM 1769 CB ILE A 113 0.581 3.459 1.458 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -0.819 4.071 1.685 1.00 0.00 C ATOM 1771 CG2 ILE A 113 0.949 3.467 -0.034 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -0.824 5.593 1.614 1.00 0.00 C ATOM 0 H ILE A 113 0.783 3.134 3.840 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.288 1.522 1.700 1.00 0.00 H new ATOM 0 HB ILE A 113 1.347 4.057 1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.507 3.676 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.193 3.757 2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.924 4.490 -0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.951 3.057 -0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.234 2.859 -0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.836 5.962 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.160 5.995 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.480 5.912 0.630 1.00 0.00 H new ATOM 1784 N ALA A 114 2.984 1.476 2.179 1.00 0.00 N ATOM 1785 CA ALA A 114 4.187 0.707 1.891 1.00 0.00 C ATOM 1786 C ALA A 114 3.990 -0.762 2.267 1.00 0.00 C ATOM 1787 O ALA A 114 4.274 -1.642 1.460 1.00 0.00 O ATOM 1788 CB ALA A 114 5.380 1.297 2.651 1.00 0.00 C ATOM 0 H ALA A 114 3.141 2.256 2.817 1.00 0.00 H new ATOM 0 HA ALA A 114 4.388 0.761 0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.275 0.716 2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.533 2.331 2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.181 1.264 3.722 1.00 0.00 H new ATOM 1794 N ASP A 115 3.465 -1.027 3.465 1.00 0.00 N ATOM 1795 CA ASP A 115 3.248 -2.389 3.950 1.00 0.00 C ATOM 1796 C ASP A 115 2.237 -3.125 3.071 1.00 0.00 C ATOM 1797 O ASP A 115 2.444 -4.282 2.698 1.00 0.00 O ATOM 1798 CB ASP A 115 2.793 -2.375 5.414 1.00 0.00 C ATOM 1799 CG ASP A 115 2.819 -3.761 6.085 1.00 0.00 C ATOM 1800 OD1 ASP A 115 3.431 -4.712 5.554 1.00 0.00 O ATOM 1801 OD2 ASP A 115 2.337 -3.838 7.237 1.00 0.00 O ATOM 0 H ASP A 115 3.179 -0.303 4.125 1.00 0.00 H new ATOM 0 HA ASP A 115 4.195 -2.926 3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.433 -1.697 5.978 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.780 -1.975 5.466 1.00 0.00 H new ATOM 1806 N TRP A 116 1.173 -2.429 2.655 1.00 0.00 N ATOM 1807 CA TRP A 116 0.220 -2.990 1.716 1.00 0.00 C ATOM 1808 C TRP A 116 0.902 -3.305 0.384 1.00 0.00 C ATOM 1809 O TRP A 116 0.705 -4.391 -0.151 1.00 0.00 O ATOM 1810 CB TRP A 116 -0.978 -2.055 1.505 1.00 0.00 C ATOM 1811 CG TRP A 116 -2.000 -2.640 0.579 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -2.343 -2.154 -0.636 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.723 -3.902 0.721 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -3.216 -3.027 -1.254 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -3.442 -4.148 -0.485 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.812 -4.884 1.732 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -4.173 -5.327 -0.694 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -3.572 -6.053 1.548 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -4.237 -6.286 0.331 1.00 0.00 C ATOM 0 H TRP A 116 0.958 -1.479 2.958 1.00 0.00 H new ATOM 0 HA TRP A 116 -0.159 -3.919 2.141 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -1.443 -1.841 2.467 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.628 -1.105 1.102 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -1.988 -1.225 -1.058 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.641 -2.863 -2.167 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -2.287 -4.735 2.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.681 -5.496 -1.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -3.645 -6.776 2.347 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -4.795 -7.199 0.185 1.00 0.00 H new ATOM 1830 N LEU A 117 1.725 -2.397 -0.147 1.00 0.00 N ATOM 1831 CA LEU A 117 2.405 -2.588 -1.423 1.00 0.00 C ATOM 1832 C LEU A 117 3.398 -3.749 -1.355 1.00 0.00 C ATOM 1833 O LEU A 117 3.526 -4.474 -2.342 1.00 0.00 O ATOM 1834 CB LEU A 117 3.103 -1.290 -1.866 1.00 0.00 C ATOM 1835 CG LEU A 117 2.128 -0.194 -2.344 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.870 1.142 -2.456 1.00 0.00 C ATOM 1837 CD2 LEU A 117 1.488 -0.533 -3.696 1.00 0.00 C ATOM 0 H LEU A 117 1.937 -1.506 0.301 1.00 0.00 H new ATOM 0 HA LEU A 117 1.652 -2.842 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.692 -0.903 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.801 -1.520 -2.671 1.00 0.00 H new ATOM 0 HG LEU A 117 1.328 -0.126 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.179 1.915 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.274 1.417 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.686 1.046 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.810 0.269 -3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.267 -0.643 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.931 -1.466 -3.611 1.00 0.00 H new ATOM 1849 N TYR A 118 4.061 -3.977 -0.214 1.00 0.00 N ATOM 1850 CA TYR A 118 4.910 -5.151 -0.036 1.00 0.00 C ATOM 1851 C TYR A 118 4.063 -6.414 -0.189 1.00 0.00 C ATOM 1852 O TYR A 118 4.405 -7.317 -0.951 1.00 0.00 O ATOM 1853 CB TYR A 118 5.573 -5.184 1.354 1.00 0.00 C ATOM 1854 CG TYR A 118 6.388 -3.991 1.819 1.00 0.00 C ATOM 1855 CD1 TYR A 118 7.088 -3.159 0.922 1.00 0.00 C ATOM 1856 CD2 TYR A 118 6.467 -3.741 3.202 1.00 0.00 C ATOM 1857 CE1 TYR A 118 7.877 -2.100 1.406 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.203 -2.651 3.689 1.00 0.00 C ATOM 1859 CZ TYR A 118 7.938 -1.841 2.797 1.00 0.00 C ATOM 1860 OH TYR A 118 8.700 -0.828 3.304 1.00 0.00 O ATOM 0 H TYR A 118 4.023 -3.360 0.598 1.00 0.00 H new ATOM 0 HA TYR A 118 5.694 -5.103 -0.792 1.00 0.00 H new ATOM 0 HB2 TYR A 118 4.785 -5.348 2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.224 -6.057 1.385 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.018 -3.335 -0.141 1.00 0.00 H new ATOM 0 HD2 TYR A 118 5.956 -4.394 3.894 1.00 0.00 H new ATOM 0 HE1 TYR A 118 8.436 -1.484 0.717 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.207 -2.431 4.746 1.00 0.00 H new ATOM 0 HH TYR A 118 8.130 -0.055 3.498 1.00 0.00 H new ATOM 1870 N TRP A 119 2.943 -6.482 0.529 1.00 0.00 N ATOM 1871 CA TRP A 119 2.073 -7.637 0.550 1.00 0.00 C ATOM 1872 C TRP A 119 1.496 -7.874 -0.845 1.00 0.00 C ATOM 1873 O TRP A 119 1.476 -9.009 -1.322 1.00 0.00 O ATOM 1874 CB TRP A 119 1.015 -7.363 1.615 1.00 0.00 C ATOM 1875 CG TRP A 119 -0.055 -8.383 1.731 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -1.256 -8.298 1.129 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -0.055 -9.638 2.473 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -2.037 -9.360 1.521 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -1.343 -10.232 2.337 1.00 0.00 C ATOM 1880 CE3 TRP A 119 0.902 -10.336 3.244 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -1.670 -11.448 2.957 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 0.579 -11.552 3.876 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.705 -12.108 3.737 1.00 0.00 C ATOM 0 H TRP A 119 2.617 -5.717 1.120 1.00 0.00 H new ATOM 0 HA TRP A 119 2.598 -8.557 0.807 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.512 -7.272 2.581 1.00 0.00 H new ATOM 0 HB3 TRP A 119 0.552 -6.399 1.403 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -1.559 -7.518 0.446 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -3.010 -9.488 1.243 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.897 -9.930 3.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -2.655 -11.873 2.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 1.322 -12.061 4.471 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.949 -13.039 4.228 1.00 0.00 H new ATOM 1894 N LEU A 120 1.122 -6.797 -1.538 1.00 0.00 N ATOM 1895 CA LEU A 120 0.631 -6.826 -2.901 1.00 0.00 C ATOM 1896 C LEU A 120 1.668 -7.517 -3.797 1.00 0.00 C ATOM 1897 O LEU A 120 1.381 -8.533 -4.433 1.00 0.00 O ATOM 1898 CB LEU A 120 0.381 -5.365 -3.353 1.00 0.00 C ATOM 1899 CG LEU A 120 -0.647 -5.143 -4.469 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -0.411 -5.986 -5.723 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -2.048 -5.335 -3.893 1.00 0.00 C ATOM 0 H LEU A 120 1.157 -5.856 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 120 -0.301 -7.386 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 120 0.063 -4.792 -2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.332 -4.945 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.531 -4.119 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.183 -5.766 -6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.567 -5.750 -6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.449 -7.044 -5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.788 -5.180 -4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.144 -6.347 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.213 -4.616 -3.091 1.00 0.00 H new ATOM 1913 N ALA A 121 2.901 -6.992 -3.797 1.00 0.00 N ATOM 1914 CA ALA A 121 3.987 -7.453 -4.654 1.00 0.00 C ATOM 1915 C ALA A 121 4.420 -8.891 -4.343 1.00 0.00 C ATOM 1916 O ALA A 121 4.980 -9.562 -5.212 1.00 0.00 O ATOM 1917 CB ALA A 121 5.179 -6.502 -4.500 1.00 0.00 C ATOM 0 H ALA A 121 3.170 -6.220 -3.187 1.00 0.00 H new ATOM 0 HA ALA A 121 3.623 -7.452 -5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 121 5.997 -6.838 -5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 121 4.881 -5.495 -4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 121 5.508 -6.496 -3.461 1.00 0.00 H new ATOM 1923 N ARG A 122 4.170 -9.378 -3.123 1.00 0.00 N ATOM 1924 CA ARG A 122 4.536 -10.733 -2.705 1.00 0.00 C ATOM 1925 C ARG A 122 3.626 -11.798 -3.331 1.00 0.00 C ATOM 1926 O ARG A 122 3.929 -12.985 -3.201 1.00 0.00 O ATOM 1927 CB ARG A 122 4.510 -10.816 -1.166 1.00 0.00 C ATOM 1928 CG ARG A 122 5.791 -10.227 -0.569 1.00 0.00 C ATOM 1929 CD ARG A 122 5.627 -9.806 0.893 1.00 0.00 C ATOM 1930 NE ARG A 122 5.544 -10.950 1.816 1.00 0.00 N ATOM 1931 CZ ARG A 122 5.860 -10.884 3.117 1.00 0.00 C ATOM 1932 NH1 ARG A 122 6.097 -9.710 3.691 1.00 0.00 N ATOM 1933 NH2 ARG A 122 5.948 -11.988 3.845 1.00 0.00 N ATOM 0 H ARG A 122 3.705 -8.838 -2.393 1.00 0.00 H new ATOM 0 HA ARG A 122 5.544 -10.941 -3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.643 -10.277 -0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.403 -11.855 -0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.592 -10.963 -0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.097 -9.363 -1.159 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.468 -9.175 1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.726 -9.200 0.992 1.00 0.00 H new ATOM 0 HE ARG A 122 5.227 -11.845 1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.039 -8.853 3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 122 6.337 -9.666 4.681 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.775 -12.897 3.416 1.00 0.00 H new ATOM 0 HH22 ARG A 122 6.189 -11.929 4.834 1.00 0.00 H new ATOM 1947 N GLY A 123 2.534 -11.416 -4.003 1.00 0.00 N ATOM 1948 CA GLY A 123 1.622 -12.369 -4.630 1.00 0.00 C ATOM 1949 C GLY A 123 0.609 -12.906 -3.618 1.00 0.00 C ATOM 1950 O GLY A 123 0.368 -14.113 -3.555 1.00 0.00 O ATOM 0 H GLY A 123 2.262 -10.441 -4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 123 1.097 -11.887 -5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.191 -13.196 -5.055 1.00 0.00 H new ATOM 1954 N TYR A 124 0.065 -12.006 -2.794 1.00 0.00 N ATOM 1955 CA TYR A 124 -1.003 -12.257 -1.831 1.00 0.00 C ATOM 1956 C TYR A 124 -2.253 -12.931 -2.421 1.00 0.00 C ATOM 1957 O TYR A 124 -2.442 -12.987 -3.640 1.00 0.00 O ATOM 1958 CB TYR A 124 -1.417 -10.929 -1.185 1.00 0.00 C ATOM 1959 CG TYR A 124 -2.262 -9.991 -2.045 1.00 0.00 C ATOM 1960 CD1 TYR A 124 -1.811 -9.529 -3.297 1.00 0.00 C ATOM 1961 CD2 TYR A 124 -3.525 -9.573 -1.585 1.00 0.00 C ATOM 1962 CE1 TYR A 124 -2.624 -8.698 -4.085 1.00 0.00 C ATOM 1963 CE2 TYR A 124 -4.328 -8.710 -2.344 1.00 0.00 C ATOM 1964 CZ TYR A 124 -3.888 -8.273 -3.611 1.00 0.00 C ATOM 1965 OH TYR A 124 -4.651 -7.425 -4.352 1.00 0.00 O ATOM 0 H TYR A 124 0.376 -11.035 -2.783 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.593 -12.958 -1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -1.972 -11.151 -0.274 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -0.513 -10.398 -0.886 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -0.833 -9.816 -3.654 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -3.883 -9.924 -0.628 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -2.282 -8.381 -5.059 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -5.282 -8.380 -1.959 1.00 0.00 H new ATOM 0 HH TYR A 124 -5.501 -7.263 -3.892 1.00 0.00 H new ATOM 1975 N LYS A 125 -3.150 -13.366 -1.524 1.00 0.00 N ATOM 1976 CA LYS A 125 -4.426 -14.004 -1.861 1.00 0.00 C ATOM 1977 C LYS A 125 -5.627 -13.265 -1.257 1.00 0.00 C ATOM 1978 O LYS A 125 -6.742 -13.451 -1.748 1.00 0.00 O ATOM 1979 CB LYS A 125 -4.424 -15.461 -1.359 1.00 0.00 C ATOM 1980 CG LYS A 125 -3.286 -16.345 -1.901 1.00 0.00 C ATOM 1981 CD LYS A 125 -3.270 -16.541 -3.427 1.00 0.00 C ATOM 1982 CE LYS A 125 -4.546 -17.226 -3.939 1.00 0.00 C ATOM 1983 NZ LYS A 125 -4.500 -17.476 -5.402 1.00 0.00 N ATOM 0 H LYS A 125 -3.002 -13.280 -0.518 1.00 0.00 H new ATOM 0 HA LYS A 125 -4.528 -13.971 -2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -4.367 -15.452 -0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -5.376 -15.920 -1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.334 -15.908 -1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -3.353 -17.324 -1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.159 -15.572 -3.915 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -2.402 -17.139 -3.705 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -4.684 -18.172 -3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -5.409 -16.603 -3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -5.381 -17.939 -5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -4.395 -16.572 -5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.692 -18.092 -5.624 1.00 0.00 H new ATOM 1997 N PHE A 126 -5.437 -12.457 -0.209 1.00 0.00 N ATOM 1998 CA PHE A 126 -6.496 -11.801 0.553 1.00 0.00 C ATOM 1999 C PHE A 126 -5.890 -10.579 1.245 1.00 0.00 C ATOM 2000 O PHE A 126 -4.661 -10.581 1.481 1.00 0.00 O ATOM 2001 CB PHE A 126 -7.133 -12.777 1.569 1.00 0.00 C ATOM 2002 CG PHE A 126 -6.251 -13.920 2.056 1.00 0.00 C ATOM 2003 CD1 PHE A 126 -5.036 -13.652 2.714 1.00 0.00 C ATOM 2004 CD2 PHE A 126 -6.618 -15.256 1.807 1.00 0.00 C ATOM 2005 CE1 PHE A 126 -4.188 -14.702 3.104 1.00 0.00 C ATOM 2006 CE2 PHE A 126 -5.784 -16.310 2.221 1.00 0.00 C ATOM 2007 CZ PHE A 126 -4.564 -16.035 2.863 1.00 0.00 C ATOM 2008 OXT PHE A 126 -6.645 -9.620 1.508 1.00 0.00 O ATOM 0 H PHE A 126 -4.505 -12.236 0.142 1.00 0.00 H new ATOM 0 HA PHE A 126 -7.299 -11.482 -0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -7.458 -12.203 2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.028 -13.205 1.117 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -4.753 -12.630 2.921 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -7.544 -15.473 1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -3.248 -14.485 3.589 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -6.082 -17.333 2.045 1.00 0.00 H new ATOM 0 HZ PHE A 126 -3.918 -16.844 3.170 1.00 0.00 H new TER 2018 PHE A 126 HETATM 2019 CA CA A 127 -7.338 5.678 11.610 1.00 0.00 CA HETATM 2020 CA CA A 128 -10.437 -17.190 12.825 1.00 0.00 CA