USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 729 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 37 LYS NZ :NH3+ -172:sc= 0.00449 (180deg=0) USER MOD Set 1.2: A 82 CYS SG : rot 120:sc= -0.0494 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0753 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 170:sc= 0.489 USER MOD Single : A 6 SER OG : rot 5:sc= 0.358 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -148:sc= 1.23 (180deg=1.07) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 156:sc= 0 (180deg=-0.479) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.21) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc=-0.00203 K(o=-0.002,f=-0.88) USER MOD Single : A 32 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00683) USER MOD Single : A 43 HIS : no HE2:sc= 0.324 K(o=0.32,f=-1.8) USER MOD Single : A 46 GLN : amide:sc= 0.382 K(o=0.38,f=-1.2) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0541 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.245 X(o=-0.24,f=-0.004) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.1!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0307 USER MOD Single : A 68 LYS NZ :NH3+ 172:sc=-0.00348 (180deg=-0.119) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00821 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.106) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.041 X(o=-0.041,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.617 13.127 -5.812 1.00 0.00 N ATOM 2 CA GLY A 1 -8.913 12.962 -5.141 1.00 0.00 C ATOM 3 C GLY A 1 -8.762 12.962 -3.628 1.00 0.00 C ATOM 4 O GLY A 1 -7.661 12.782 -3.102 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.593 14.045 -6.300 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.854 13.090 -5.107 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.485 12.363 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.584 13.767 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.373 12.027 -5.462 1.00 0.00 H new ATOM 8 N SER A 2 -9.855 13.223 -2.906 1.00 0.00 N ATOM 9 CA SER A 2 -9.880 13.235 -1.446 1.00 0.00 C ATOM 10 C SER A 2 -11.320 12.971 -0.994 1.00 0.00 C ATOM 11 O SER A 2 -11.990 13.840 -0.428 1.00 0.00 O ATOM 12 CB SER A 2 -9.286 14.549 -0.894 1.00 0.00 C ATOM 13 OG SER A 2 -8.391 14.271 0.166 1.00 0.00 O ATOM 0 H SER A 2 -10.759 13.435 -3.328 1.00 0.00 H new ATOM 0 HA SER A 2 -9.247 12.447 -1.038 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.766 15.084 -1.689 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.087 15.200 -0.543 1.00 0.00 H new ATOM 0 HG SER A 2 -8.018 15.110 0.508 1.00 0.00 H new ATOM 19 N SER A 3 -11.861 11.809 -1.341 1.00 0.00 N ATOM 20 CA SER A 3 -13.218 11.430 -0.960 1.00 0.00 C ATOM 21 C SER A 3 -13.258 11.178 0.563 1.00 0.00 C ATOM 22 O SER A 3 -12.213 11.113 1.220 1.00 0.00 O ATOM 23 CB SER A 3 -13.641 10.231 -1.811 1.00 0.00 C ATOM 24 OG SER A 3 -13.491 10.562 -3.191 1.00 0.00 O ATOM 0 H SER A 3 -11.373 11.104 -1.893 1.00 0.00 H new ATOM 0 HA SER A 3 -13.941 12.222 -1.155 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.032 9.361 -1.565 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.677 9.966 -1.598 1.00 0.00 H new ATOM 0 HG SER A 3 -13.759 9.797 -3.742 1.00 0.00 H new ATOM 30 N GLY A 4 -14.448 11.067 1.154 1.00 0.00 N ATOM 31 CA GLY A 4 -14.603 10.845 2.587 1.00 0.00 C ATOM 32 C GLY A 4 -16.045 11.089 3.018 1.00 0.00 C ATOM 33 O GLY A 4 -16.874 11.491 2.200 1.00 0.00 O ATOM 0 H GLY A 4 -15.332 11.129 0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.312 9.824 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.937 11.509 3.137 1.00 0.00 H new ATOM 37 N SER A 5 -16.329 10.858 4.295 1.00 0.00 N ATOM 38 CA SER A 5 -17.633 11.004 4.922 1.00 0.00 C ATOM 39 C SER A 5 -17.425 11.215 6.428 1.00 0.00 C ATOM 40 O SER A 5 -16.582 12.013 6.842 1.00 0.00 O ATOM 41 CB SER A 5 -18.446 9.743 4.577 1.00 0.00 C ATOM 42 OG SER A 5 -17.802 8.562 5.041 1.00 0.00 O ATOM 0 H SER A 5 -15.615 10.547 4.954 1.00 0.00 H new ATOM 0 HA SER A 5 -18.190 11.869 4.562 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.438 9.816 5.022 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.585 9.683 3.498 1.00 0.00 H new ATOM 0 HG SER A 5 -18.411 7.800 4.949 1.00 0.00 H new ATOM 48 N SER A 6 -18.235 10.568 7.263 1.00 0.00 N ATOM 49 CA SER A 6 -18.202 10.576 8.712 1.00 0.00 C ATOM 50 C SER A 6 -18.816 9.240 9.135 1.00 0.00 C ATOM 51 O SER A 6 -19.850 8.841 8.586 1.00 0.00 O ATOM 52 CB SER A 6 -18.970 11.769 9.276 1.00 0.00 C ATOM 53 OG SER A 6 -18.359 12.998 8.915 1.00 0.00 O ATOM 0 H SER A 6 -18.989 9.980 6.909 1.00 0.00 H new ATOM 0 HA SER A 6 -17.189 10.682 9.099 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.996 11.750 8.908 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.019 11.691 10.362 1.00 0.00 H new ATOM 0 HG SER A 6 -17.609 12.825 8.308 1.00 0.00 H new ATOM 59 N GLY A 7 -18.180 8.536 10.067 1.00 0.00 N ATOM 60 CA GLY A 7 -18.615 7.251 10.587 1.00 0.00 C ATOM 61 C GLY A 7 -18.343 6.123 9.599 1.00 0.00 C ATOM 62 O GLY A 7 -17.422 5.325 9.802 1.00 0.00 O ATOM 0 H GLY A 7 -17.313 8.861 10.495 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.100 7.045 11.526 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.681 7.290 10.810 1.00 0.00 H new ATOM 66 N GLU A 8 -19.162 6.012 8.552 1.00 0.00 N ATOM 67 CA GLU A 8 -19.036 4.981 7.526 1.00 0.00 C ATOM 68 C GLU A 8 -17.987 5.389 6.489 1.00 0.00 C ATOM 69 O GLU A 8 -18.305 5.829 5.383 1.00 0.00 O ATOM 70 CB GLU A 8 -20.410 4.593 6.949 1.00 0.00 C ATOM 71 CG GLU A 8 -21.145 3.681 7.948 1.00 0.00 C ATOM 72 CD GLU A 8 -22.559 3.306 7.502 1.00 0.00 C ATOM 73 OE1 GLU A 8 -23.467 4.161 7.656 1.00 0.00 O ATOM 74 OE2 GLU A 8 -22.783 2.142 7.088 1.00 0.00 O ATOM 0 H GLU A 8 -19.944 6.647 8.392 1.00 0.00 H new ATOM 0 HA GLU A 8 -18.661 4.060 7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -21.001 5.488 6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -20.285 4.080 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -20.564 2.770 8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -21.198 4.182 8.915 1.00 0.00 H new ATOM 81 N SER A 9 -16.721 5.275 6.893 1.00 0.00 N ATOM 82 CA SER A 9 -15.522 5.562 6.123 1.00 0.00 C ATOM 83 C SER A 9 -15.293 4.380 5.182 1.00 0.00 C ATOM 84 O SER A 9 -14.295 3.679 5.297 1.00 0.00 O ATOM 85 CB SER A 9 -14.344 5.709 7.101 1.00 0.00 C ATOM 86 OG SER A 9 -14.646 6.615 8.147 1.00 0.00 O ATOM 0 H SER A 9 -16.497 4.956 7.836 1.00 0.00 H new ATOM 0 HA SER A 9 -15.617 6.482 5.546 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.096 4.735 7.523 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.463 6.056 6.561 1.00 0.00 H new ATOM 0 HG SER A 9 -13.878 6.684 8.752 1.00 0.00 H new ATOM 92 N GLU A 10 -16.187 4.157 4.225 1.00 0.00 N ATOM 93 CA GLU A 10 -16.086 3.032 3.302 1.00 0.00 C ATOM 94 C GLU A 10 -14.761 2.949 2.544 1.00 0.00 C ATOM 95 O GLU A 10 -14.290 1.842 2.288 1.00 0.00 O ATOM 96 CB GLU A 10 -17.332 2.993 2.408 1.00 0.00 C ATOM 97 CG GLU A 10 -18.585 2.724 3.259 1.00 0.00 C ATOM 98 CD GLU A 10 -18.451 1.430 4.063 1.00 0.00 C ATOM 99 OE1 GLU A 10 -18.690 0.353 3.471 1.00 0.00 O ATOM 100 OE2 GLU A 10 -18.030 1.449 5.244 1.00 0.00 O ATOM 0 H GLU A 10 -17.002 4.750 4.067 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.066 2.116 3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.439 3.940 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -17.223 2.215 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -18.751 3.560 3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -19.459 2.662 2.611 1.00 0.00 H new ATOM 107 N GLU A 11 -14.111 4.078 2.259 1.00 0.00 N ATOM 108 CA GLU A 11 -12.824 4.102 1.564 1.00 0.00 C ATOM 109 C GLU A 11 -11.759 3.299 2.334 1.00 0.00 C ATOM 110 O GLU A 11 -10.779 2.835 1.748 1.00 0.00 O ATOM 111 CB GLU A 11 -12.390 5.569 1.432 1.00 0.00 C ATOM 112 CG GLU A 11 -11.086 5.736 0.647 1.00 0.00 C ATOM 113 CD GLU A 11 -10.761 7.210 0.445 1.00 0.00 C ATOM 114 OE1 GLU A 11 -11.368 7.832 -0.451 1.00 0.00 O ATOM 115 OE2 GLU A 11 -9.862 7.718 1.161 1.00 0.00 O ATOM 0 H GLU A 11 -14.463 5.003 2.504 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.928 3.641 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.181 6.134 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.267 5.997 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.270 5.249 1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.173 5.242 -0.321 1.00 0.00 H new ATOM 122 N GLU A 12 -11.937 3.149 3.648 1.00 0.00 N ATOM 123 CA GLU A 12 -11.055 2.439 4.554 1.00 0.00 C ATOM 124 C GLU A 12 -10.971 0.944 4.251 1.00 0.00 C ATOM 125 O GLU A 12 -9.915 0.353 4.483 1.00 0.00 O ATOM 126 CB GLU A 12 -11.562 2.668 5.980 1.00 0.00 C ATOM 127 CG GLU A 12 -10.627 2.096 7.036 1.00 0.00 C ATOM 128 CD GLU A 12 -10.951 2.703 8.394 1.00 0.00 C ATOM 129 OE1 GLU A 12 -11.810 2.164 9.124 1.00 0.00 O ATOM 130 OE2 GLU A 12 -10.347 3.738 8.749 1.00 0.00 O ATOM 0 H GLU A 12 -12.746 3.544 4.127 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.044 2.827 4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.684 3.738 6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.547 2.213 6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.731 1.012 7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.591 2.307 6.771 1.00 0.00 H new ATOM 137 N ASP A 13 -12.033 0.338 3.710 1.00 0.00 N ATOM 138 CA ASP A 13 -12.055 -1.098 3.403 1.00 0.00 C ATOM 139 C ASP A 13 -12.409 -1.432 1.957 1.00 0.00 C ATOM 140 O ASP A 13 -12.458 -2.596 1.546 1.00 0.00 O ATOM 141 CB ASP A 13 -12.939 -1.828 4.416 1.00 0.00 C ATOM 142 CG ASP A 13 -12.881 -3.341 4.222 1.00 0.00 C ATOM 143 OD1 ASP A 13 -11.771 -3.906 4.127 1.00 0.00 O ATOM 144 OD2 ASP A 13 -13.969 -3.960 4.154 1.00 0.00 O ATOM 0 H ASP A 13 -12.897 0.825 3.473 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.032 -1.461 3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -12.618 -1.577 5.427 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.969 -1.486 4.314 1.00 0.00 H new ATOM 149 N LYS A 14 -12.695 -0.415 1.160 1.00 0.00 N ATOM 150 CA LYS A 14 -13.003 -0.600 -0.256 1.00 0.00 C ATOM 151 C LYS A 14 -11.657 -0.588 -1.001 1.00 0.00 C ATOM 152 O LYS A 14 -10.603 -0.349 -0.398 1.00 0.00 O ATOM 153 CB LYS A 14 -14.060 0.421 -0.726 1.00 0.00 C ATOM 154 CG LYS A 14 -15.506 -0.110 -0.568 1.00 0.00 C ATOM 155 CD LYS A 14 -15.954 -0.557 0.836 1.00 0.00 C ATOM 156 CE LYS A 14 -17.319 -1.259 0.784 1.00 0.00 C ATOM 157 NZ LYS A 14 -17.697 -1.827 2.095 1.00 0.00 N ATOM 0 H LYS A 14 -12.721 0.557 1.470 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.483 -1.554 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.950 1.343 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.880 0.671 -1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.189 0.670 -0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.629 -0.956 -1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.211 -1.232 1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.012 0.309 1.495 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.081 -0.548 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.290 -2.054 0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.262 -2.688 1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.838 -2.063 2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.257 -1.130 2.627 1.00 0.00 H new ATOM 171 N CYS A 15 -11.643 -0.915 -2.292 1.00 0.00 N ATOM 172 CA CYS A 15 -10.422 -0.941 -3.097 1.00 0.00 C ATOM 173 C CYS A 15 -10.729 -0.545 -4.541 1.00 0.00 C ATOM 174 O CYS A 15 -11.898 -0.480 -4.933 1.00 0.00 O ATOM 175 CB CYS A 15 -9.759 -2.329 -3.004 1.00 0.00 C ATOM 176 SG CYS A 15 -10.921 -3.668 -3.406 1.00 0.00 S ATOM 0 H CYS A 15 -12.482 -1.171 -2.812 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.713 -0.211 -2.706 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.909 -2.371 -3.685 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.369 -2.478 -1.997 1.00 0.00 H new ATOM 0 HG CYS A 15 -10.312 -4.813 -3.315 1.00 0.00 H new ATOM 182 N LYS A 16 -9.684 -0.295 -5.336 1.00 0.00 N ATOM 183 CA LYS A 16 -9.765 0.083 -6.743 1.00 0.00 C ATOM 184 C LYS A 16 -8.598 -0.557 -7.495 1.00 0.00 C ATOM 185 O LYS A 16 -7.534 -0.743 -6.904 1.00 0.00 O ATOM 186 CB LYS A 16 -9.666 1.615 -6.889 1.00 0.00 C ATOM 187 CG LYS A 16 -10.959 2.374 -6.573 1.00 0.00 C ATOM 188 CD LYS A 16 -12.091 2.129 -7.578 1.00 0.00 C ATOM 189 CE LYS A 16 -13.321 2.947 -7.166 1.00 0.00 C ATOM 190 NZ LYS A 16 -14.418 2.848 -8.151 1.00 0.00 N ATOM 0 H LYS A 16 -8.723 -0.354 -5.000 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.717 -0.257 -7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.877 1.979 -6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.363 1.850 -7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.302 2.087 -5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.742 3.442 -6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.770 2.413 -8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.340 1.068 -7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.676 2.601 -6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.036 3.992 -7.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.226 3.417 -7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.090 3.202 -9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.710 1.854 -8.246 1.00 0.00 H new ATOM 204 N PRO A 17 -8.757 -0.877 -8.790 1.00 0.00 N ATOM 205 CA PRO A 17 -7.705 -1.476 -9.602 1.00 0.00 C ATOM 206 C PRO A 17 -6.638 -0.438 -9.949 1.00 0.00 C ATOM 207 O PRO A 17 -6.898 0.542 -10.646 1.00 0.00 O ATOM 208 CB PRO A 17 -8.400 -1.981 -10.859 1.00 0.00 C ATOM 209 CG PRO A 17 -9.577 -1.011 -11.011 1.00 0.00 C ATOM 210 CD PRO A 17 -9.972 -0.707 -9.572 1.00 0.00 C ATOM 0 HA PRO A 17 -7.195 -2.282 -9.075 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.739 -1.953 -11.725 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.737 -3.012 -10.748 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.286 -0.108 -11.547 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.399 -1.461 -11.567 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.360 0.307 -9.478 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.756 -1.382 -9.230 1.00 0.00 H new ATOM 218 N MET A 18 -5.428 -0.680 -9.466 1.00 0.00 N ATOM 219 CA MET A 18 -4.269 0.176 -9.659 1.00 0.00 C ATOM 220 C MET A 18 -3.793 0.059 -11.106 1.00 0.00 C ATOM 221 O MET A 18 -3.578 -1.051 -11.598 1.00 0.00 O ATOM 222 CB MET A 18 -3.172 -0.256 -8.673 1.00 0.00 C ATOM 223 CG MET A 18 -3.609 -0.062 -7.214 1.00 0.00 C ATOM 224 SD MET A 18 -3.712 1.664 -6.677 1.00 0.00 S ATOM 225 CE MET A 18 -2.042 1.883 -6.003 1.00 0.00 C ATOM 0 H MET A 18 -5.220 -1.509 -8.909 1.00 0.00 H new ATOM 0 HA MET A 18 -4.520 1.219 -9.468 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.923 -1.304 -8.842 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.266 0.321 -8.861 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.584 -0.530 -7.076 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.908 -0.588 -6.566 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.778 2.940 -6.022 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.014 1.520 -4.976 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.330 1.320 -6.606 1.00 0.00 H new ATOM 235 N SER A 19 -3.687 1.182 -11.809 1.00 0.00 N ATOM 236 CA SER A 19 -3.221 1.231 -13.190 1.00 0.00 C ATOM 237 C SER A 19 -1.687 1.108 -13.201 1.00 0.00 C ATOM 238 O SER A 19 -1.043 1.148 -12.148 1.00 0.00 O ATOM 239 CB SER A 19 -3.682 2.567 -13.796 1.00 0.00 C ATOM 240 OG SER A 19 -3.438 2.638 -15.182 1.00 0.00 O ATOM 0 H SER A 19 -3.926 2.098 -11.429 1.00 0.00 H new ATOM 0 HA SER A 19 -3.630 0.412 -13.782 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.748 2.699 -13.610 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.167 3.387 -13.296 1.00 0.00 H new ATOM 0 HG SER A 19 -3.748 3.502 -15.525 1.00 0.00 H new ATOM 246 N TYR A 20 -1.088 0.953 -14.386 1.00 0.00 N ATOM 247 CA TYR A 20 0.364 0.861 -14.549 1.00 0.00 C ATOM 248 C TYR A 20 1.003 2.141 -14.016 1.00 0.00 C ATOM 249 O TYR A 20 2.021 2.104 -13.330 1.00 0.00 O ATOM 250 CB TYR A 20 0.724 0.637 -16.018 1.00 0.00 C ATOM 251 CG TYR A 20 2.210 0.723 -16.311 1.00 0.00 C ATOM 252 CD1 TYR A 20 3.074 -0.309 -15.892 1.00 0.00 C ATOM 253 CD2 TYR A 20 2.727 1.834 -17.005 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.449 -0.244 -16.181 1.00 0.00 C ATOM 255 CE2 TYR A 20 4.098 1.888 -17.323 1.00 0.00 C ATOM 256 CZ TYR A 20 4.967 0.850 -16.912 1.00 0.00 C ATOM 257 OH TYR A 20 6.303 0.941 -17.164 1.00 0.00 O ATOM 0 H TYR A 20 -1.602 0.888 -15.265 1.00 0.00 H new ATOM 0 HA TYR A 20 0.745 0.010 -13.985 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.360 -0.344 -16.325 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.201 1.375 -16.626 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.678 -1.153 -15.347 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.073 2.644 -17.293 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.109 -1.030 -15.845 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.488 2.725 -17.883 1.00 0.00 H new ATOM 0 HH TYR A 20 6.484 1.755 -17.679 1.00 0.00 H new ATOM 267 N GLU A 21 0.352 3.268 -14.288 1.00 0.00 N ATOM 268 CA GLU A 21 0.798 4.579 -13.866 1.00 0.00 C ATOM 269 C GLU A 21 0.791 4.658 -12.335 1.00 0.00 C ATOM 270 O GLU A 21 1.689 5.267 -11.769 1.00 0.00 O ATOM 271 CB GLU A 21 -0.070 5.643 -14.559 1.00 0.00 C ATOM 272 CG GLU A 21 -0.111 5.520 -16.102 1.00 0.00 C ATOM 273 CD GLU A 21 1.236 5.731 -16.792 1.00 0.00 C ATOM 274 OE1 GLU A 21 2.170 4.945 -16.546 1.00 0.00 O ATOM 275 OE2 GLU A 21 1.373 6.544 -17.735 1.00 0.00 O ATOM 0 H GLU A 21 -0.518 3.289 -14.820 1.00 0.00 H new ATOM 0 HA GLU A 21 1.828 4.770 -14.167 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.087 5.574 -14.173 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.306 6.631 -14.294 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.488 4.532 -16.365 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.823 6.247 -16.493 1.00 0.00 H new ATOM 282 N GLU A 22 -0.161 4.023 -11.639 1.00 0.00 N ATOM 283 CA GLU A 22 -0.202 4.043 -10.173 1.00 0.00 C ATOM 284 C GLU A 22 0.955 3.206 -9.640 1.00 0.00 C ATOM 285 O GLU A 22 1.680 3.625 -8.744 1.00 0.00 O ATOM 286 CB GLU A 22 -1.511 3.454 -9.616 1.00 0.00 C ATOM 287 CG GLU A 22 -2.784 4.038 -10.213 1.00 0.00 C ATOM 288 CD GLU A 22 -2.805 5.561 -10.184 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.986 6.154 -9.105 1.00 0.00 O ATOM 290 OE2 GLU A 22 -2.766 6.179 -11.269 1.00 0.00 O ATOM 0 H GLU A 22 -0.915 3.488 -12.070 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.132 5.084 -9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.509 2.377 -9.786 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.530 3.607 -8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.886 3.697 -11.243 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.645 3.657 -9.664 1.00 0.00 H new ATOM 297 N LYS A 23 1.123 2.003 -10.200 1.00 0.00 N ATOM 298 CA LYS A 23 2.172 1.071 -9.815 1.00 0.00 C ATOM 299 C LYS A 23 3.537 1.736 -9.941 1.00 0.00 C ATOM 300 O LYS A 23 4.372 1.617 -9.046 1.00 0.00 O ATOM 301 CB LYS A 23 2.084 -0.167 -10.717 1.00 0.00 C ATOM 302 CG LYS A 23 0.838 -1.024 -10.452 1.00 0.00 C ATOM 303 CD LYS A 23 0.568 -1.929 -11.652 1.00 0.00 C ATOM 304 CE LYS A 23 -0.746 -2.678 -11.461 1.00 0.00 C ATOM 305 NZ LYS A 23 -0.949 -3.723 -12.490 1.00 0.00 N ATOM 0 H LYS A 23 0.521 1.650 -10.944 1.00 0.00 H new ATOM 0 HA LYS A 23 2.041 0.771 -8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.083 0.151 -11.760 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.975 -0.778 -10.571 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.984 -1.627 -9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.024 -0.382 -10.268 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.526 -1.333 -12.564 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.386 -2.639 -11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.760 -3.137 -10.472 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.574 -1.970 -11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.854 -4.206 -12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.962 -3.284 -13.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.174 -4.414 -12.441 1.00 0.00 H new ATOM 319 N ARG A 24 3.798 2.400 -11.063 1.00 0.00 N ATOM 320 CA ARG A 24 5.072 3.063 -11.300 1.00 0.00 C ATOM 321 C ARG A 24 5.214 4.278 -10.400 1.00 0.00 C ATOM 322 O ARG A 24 6.223 4.358 -9.699 1.00 0.00 O ATOM 323 CB ARG A 24 5.213 3.376 -12.793 1.00 0.00 C ATOM 324 CG ARG A 24 5.386 2.078 -13.611 1.00 0.00 C ATOM 325 CD ARG A 24 6.782 1.445 -13.511 1.00 0.00 C ATOM 326 NE ARG A 24 7.784 2.248 -14.223 1.00 0.00 N ATOM 327 CZ ARG A 24 9.057 1.904 -14.445 1.00 0.00 C ATOM 328 NH1 ARG A 24 9.572 0.753 -14.028 1.00 0.00 N ATOM 329 NH2 ARG A 24 9.837 2.726 -15.125 1.00 0.00 N ATOM 0 H ARG A 24 3.133 2.492 -11.831 1.00 0.00 H new ATOM 0 HA ARG A 24 5.900 2.404 -11.037 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.332 3.916 -13.141 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.071 4.029 -12.953 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.646 1.351 -13.276 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.172 2.292 -14.658 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.067 1.350 -12.463 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.758 0.438 -13.927 1.00 0.00 H new ATOM 0 HE ARG A 24 7.481 3.153 -14.582 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.990 0.090 -13.516 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.549 0.532 -14.220 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.466 3.610 -15.473 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.810 2.476 -15.302 1.00 0.00 H new ATOM 343 N GLN A 25 4.226 5.175 -10.360 1.00 0.00 N ATOM 344 CA GLN A 25 4.275 6.375 -9.532 1.00 0.00 C ATOM 345 C GLN A 25 4.567 6.045 -8.065 1.00 0.00 C ATOM 346 O GLN A 25 5.384 6.706 -7.430 1.00 0.00 O ATOM 347 CB GLN A 25 2.957 7.155 -9.678 1.00 0.00 C ATOM 348 CG GLN A 25 3.057 8.548 -9.068 1.00 0.00 C ATOM 349 CD GLN A 25 4.118 9.396 -9.778 1.00 0.00 C ATOM 350 OE1 GLN A 25 3.949 9.770 -10.939 1.00 0.00 O ATOM 351 NE2 GLN A 25 5.251 9.658 -9.158 1.00 0.00 N ATOM 0 H GLN A 25 3.368 5.086 -10.904 1.00 0.00 H new ATOM 0 HA GLN A 25 5.098 7.000 -9.879 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.698 7.238 -10.734 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.151 6.603 -9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.089 9.045 -9.133 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.303 8.466 -8.009 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.390 9.348 -8.196 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.989 10.171 -9.640 1.00 0.00 H new ATOM 360 N LEU A 26 3.937 5.000 -7.531 1.00 0.00 N ATOM 361 CA LEU A 26 4.126 4.567 -6.155 1.00 0.00 C ATOM 362 C LEU A 26 5.596 4.234 -5.878 1.00 0.00 C ATOM 363 O LEU A 26 6.082 4.493 -4.782 1.00 0.00 O ATOM 364 CB LEU A 26 3.200 3.365 -5.927 1.00 0.00 C ATOM 365 CG LEU A 26 3.301 2.697 -4.549 1.00 0.00 C ATOM 366 CD1 LEU A 26 3.139 3.698 -3.405 1.00 0.00 C ATOM 367 CD2 LEU A 26 2.203 1.629 -4.472 1.00 0.00 C ATOM 0 H LEU A 26 3.274 4.426 -8.051 1.00 0.00 H new ATOM 0 HA LEU A 26 3.870 5.364 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.170 3.690 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.413 2.616 -6.690 1.00 0.00 H new ATOM 0 HG LEU A 26 4.292 2.257 -4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.218 3.176 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.920 4.455 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.163 4.177 -3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.246 1.133 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.228 2.100 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.354 0.894 -5.263 1.00 0.00 H new ATOM 379 N SER A 27 6.303 3.662 -6.854 1.00 0.00 N ATOM 380 CA SER A 27 7.709 3.302 -6.713 1.00 0.00 C ATOM 381 C SER A 27 8.559 4.566 -6.531 1.00 0.00 C ATOM 382 O SER A 27 9.444 4.614 -5.671 1.00 0.00 O ATOM 383 CB SER A 27 8.151 2.507 -7.948 1.00 0.00 C ATOM 384 OG SER A 27 9.303 1.732 -7.692 1.00 0.00 O ATOM 0 H SER A 27 5.911 3.436 -7.768 1.00 0.00 H new ATOM 0 HA SER A 27 7.847 2.679 -5.829 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.339 1.855 -8.269 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.352 3.195 -8.770 1.00 0.00 H new ATOM 0 HG SER A 27 9.552 1.239 -8.502 1.00 0.00 H new ATOM 390 N LEU A 28 8.287 5.607 -7.331 1.00 0.00 N ATOM 391 CA LEU A 28 9.004 6.873 -7.285 1.00 0.00 C ATOM 392 C LEU A 28 8.931 7.465 -5.878 1.00 0.00 C ATOM 393 O LEU A 28 9.958 7.920 -5.367 1.00 0.00 O ATOM 394 CB LEU A 28 8.429 7.842 -8.333 1.00 0.00 C ATOM 395 CG LEU A 28 8.953 7.699 -9.771 1.00 0.00 C ATOM 396 CD1 LEU A 28 10.455 7.977 -9.895 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.647 6.350 -10.418 1.00 0.00 C ATOM 0 H LEU A 28 7.550 5.585 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 28 10.054 6.704 -7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.346 7.718 -8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.627 8.860 -7.999 1.00 0.00 H new ATOM 0 HG LEU A 28 8.400 8.466 -10.314 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.762 7.859 -10.934 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.665 8.995 -9.568 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.008 7.274 -9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.051 6.332 -11.430 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.104 5.553 -9.831 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.568 6.201 -10.455 1.00 0.00 H new ATOM 409 N ASP A 29 7.749 7.453 -5.258 1.00 0.00 N ATOM 410 CA ASP A 29 7.586 7.982 -3.897 1.00 0.00 C ATOM 411 C ASP A 29 8.172 7.040 -2.854 1.00 0.00 C ATOM 412 O ASP A 29 8.722 7.520 -1.862 1.00 0.00 O ATOM 413 CB ASP A 29 6.130 8.282 -3.524 1.00 0.00 C ATOM 414 CG ASP A 29 5.731 9.740 -3.775 1.00 0.00 C ATOM 415 OD1 ASP A 29 6.613 10.631 -3.885 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.509 9.994 -3.905 1.00 0.00 O ATOM 0 H ASP A 29 6.893 7.085 -5.672 1.00 0.00 H new ATOM 0 HA ASP A 29 8.133 8.925 -3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.473 7.628 -4.097 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.975 8.046 -2.471 1.00 0.00 H new ATOM 421 N ILE A 30 8.077 5.719 -3.040 1.00 0.00 N ATOM 422 CA ILE A 30 8.637 4.741 -2.106 1.00 0.00 C ATOM 423 C ILE A 30 10.131 5.054 -1.959 1.00 0.00 C ATOM 424 O ILE A 30 10.658 5.066 -0.842 1.00 0.00 O ATOM 425 CB ILE A 30 8.330 3.300 -2.605 1.00 0.00 C ATOM 426 CG1 ILE A 30 6.946 2.864 -2.070 1.00 0.00 C ATOM 427 CG2 ILE A 30 9.409 2.267 -2.236 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.431 1.540 -2.649 1.00 0.00 C ATOM 0 H ILE A 30 7.609 5.299 -3.843 1.00 0.00 H new ATOM 0 HA ILE A 30 8.185 4.803 -1.116 1.00 0.00 H new ATOM 0 HB ILE A 30 8.326 3.332 -3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.001 2.775 -0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.222 3.649 -2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.122 1.288 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.362 2.563 -2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.509 2.217 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.456 1.310 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.340 1.627 -3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.131 0.740 -2.407 1.00 0.00 H new ATOM 440 N ASN A 31 10.803 5.392 -3.063 1.00 0.00 N ATOM 441 CA ASN A 31 12.223 5.717 -3.058 1.00 0.00 C ATOM 442 C ASN A 31 12.551 7.001 -2.282 1.00 0.00 C ATOM 443 O ASN A 31 13.731 7.254 -2.024 1.00 0.00 O ATOM 444 CB ASN A 31 12.765 5.754 -4.489 1.00 0.00 C ATOM 445 CG ASN A 31 12.781 4.370 -5.133 1.00 0.00 C ATOM 446 OD1 ASN A 31 12.987 3.352 -4.470 1.00 0.00 O ATOM 447 ND2 ASN A 31 12.606 4.297 -6.435 1.00 0.00 N ATOM 0 H ASN A 31 10.372 5.447 -3.986 1.00 0.00 H new ATOM 0 HA ASN A 31 12.732 4.920 -2.516 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.153 6.426 -5.091 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.776 6.162 -4.483 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.640 3.392 -6.904 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.436 5.145 -6.975 1.00 0.00 H new ATOM 454 N LYS A 32 11.578 7.850 -1.916 1.00 0.00 N ATOM 455 CA LYS A 32 11.828 9.066 -1.135 1.00 0.00 C ATOM 456 C LYS A 32 12.062 8.704 0.331 1.00 0.00 C ATOM 457 O LYS A 32 12.686 9.485 1.055 1.00 0.00 O ATOM 458 CB LYS A 32 10.635 10.034 -1.203 1.00 0.00 C ATOM 459 CG LYS A 32 10.235 10.506 -2.590 1.00 0.00 C ATOM 460 CD LYS A 32 11.310 11.420 -3.135 1.00 0.00 C ATOM 461 CE LYS A 32 10.834 12.007 -4.448 1.00 0.00 C ATOM 462 NZ LYS A 32 9.830 13.084 -4.317 1.00 0.00 N ATOM 0 H LYS A 32 10.596 7.710 -2.155 1.00 0.00 H new ATOM 0 HA LYS A 32 12.708 9.550 -1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.773 9.549 -0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.869 10.909 -0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.098 9.651 -3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.281 11.032 -2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.525 12.216 -2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.237 10.866 -3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.696 12.397 -4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.411 11.207 -5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.612 13.472 -5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.962 12.700 -3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.208 13.839 -3.710 1.00 0.00 H new ATOM 476 N LEU A 33 11.556 7.556 0.789 1.00 0.00 N ATOM 477 CA LEU A 33 11.721 7.112 2.165 1.00 0.00 C ATOM 478 C LEU A 33 13.191 6.766 2.410 1.00 0.00 C ATOM 479 O LEU A 33 13.851 6.263 1.495 1.00 0.00 O ATOM 480 CB LEU A 33 10.881 5.845 2.421 1.00 0.00 C ATOM 481 CG LEU A 33 9.363 6.093 2.457 1.00 0.00 C ATOM 482 CD1 LEU A 33 8.614 4.785 2.200 1.00 0.00 C ATOM 483 CD2 LEU A 33 8.932 6.654 3.816 1.00 0.00 C ATOM 0 H LEU A 33 11.020 6.910 0.210 1.00 0.00 H new ATOM 0 HA LEU A 33 11.396 7.911 2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.100 5.114 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.189 5.404 3.369 1.00 0.00 H new ATOM 0 HG LEU A 33 9.122 6.819 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.540 4.969 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.890 4.394 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.877 4.058 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.855 6.821 3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.189 5.943 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.445 7.598 3.999 1.00 0.00 H new ATOM 495 N PRO A 34 13.717 6.994 3.622 1.00 0.00 N ATOM 496 CA PRO A 34 15.092 6.647 3.940 1.00 0.00 C ATOM 497 C PRO A 34 15.196 5.121 4.051 1.00 0.00 C ATOM 498 O PRO A 34 14.201 4.444 4.341 1.00 0.00 O ATOM 499 CB PRO A 34 15.367 7.301 5.296 1.00 0.00 C ATOM 500 CG PRO A 34 13.994 7.338 5.952 1.00 0.00 C ATOM 501 CD PRO A 34 13.058 7.588 4.773 1.00 0.00 C ATOM 0 HA PRO A 34 15.804 6.982 3.186 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.079 6.722 5.885 1.00 0.00 H new ATOM 0 HB3 PRO A 34 15.786 8.301 5.183 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.763 6.401 6.459 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.924 8.130 6.698 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.082 7.134 4.944 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.892 8.655 4.623 1.00 0.00 H new ATOM 509 N GLY A 35 16.405 4.576 3.913 1.00 0.00 N ATOM 510 CA GLY A 35 16.658 3.143 4.005 1.00 0.00 C ATOM 511 C GLY A 35 16.135 2.570 5.322 1.00 0.00 C ATOM 512 O GLY A 35 15.508 1.510 5.320 1.00 0.00 O ATOM 0 H GLY A 35 17.244 5.126 3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.180 2.633 3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.729 2.955 3.924 1.00 0.00 H new ATOM 516 N GLU A 36 16.314 3.299 6.431 1.00 0.00 N ATOM 517 CA GLU A 36 15.864 2.891 7.764 1.00 0.00 C ATOM 518 C GLU A 36 14.342 2.703 7.832 1.00 0.00 C ATOM 519 O GLU A 36 13.850 1.967 8.686 1.00 0.00 O ATOM 520 CB GLU A 36 16.334 3.903 8.825 1.00 0.00 C ATOM 521 CG GLU A 36 15.541 5.219 8.811 1.00 0.00 C ATOM 522 CD GLU A 36 16.128 6.266 9.751 1.00 0.00 C ATOM 523 OE1 GLU A 36 16.219 5.983 10.972 1.00 0.00 O ATOM 524 OE2 GLU A 36 16.538 7.335 9.246 1.00 0.00 O ATOM 0 H GLU A 36 16.784 4.204 6.425 1.00 0.00 H new ATOM 0 HA GLU A 36 16.316 1.922 7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.250 3.448 9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.389 4.122 8.664 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.522 5.617 7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.508 5.020 9.095 1.00 0.00 H new ATOM 531 N LYS A 37 13.571 3.375 6.967 1.00 0.00 N ATOM 532 CA LYS A 37 12.117 3.237 6.952 1.00 0.00 C ATOM 533 C LYS A 37 11.682 2.324 5.819 1.00 0.00 C ATOM 534 O LYS A 37 10.594 1.761 5.917 1.00 0.00 O ATOM 535 CB LYS A 37 11.409 4.593 6.859 1.00 0.00 C ATOM 536 CG LYS A 37 11.667 5.483 8.087 1.00 0.00 C ATOM 537 CD LYS A 37 10.855 6.779 8.000 1.00 0.00 C ATOM 538 CE LYS A 37 9.484 6.592 8.659 1.00 0.00 C ATOM 539 NZ LYS A 37 8.436 7.413 8.023 1.00 0.00 N ATOM 0 H LYS A 37 13.936 4.021 6.267 1.00 0.00 H new ATOM 0 HA LYS A 37 11.823 2.787 7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.745 5.113 5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.336 4.432 6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.402 4.943 8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.729 5.718 8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.395 7.588 8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.728 7.068 6.957 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.200 5.541 8.607 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.554 6.852 9.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.562 7.357 8.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.753 8.402 7.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.253 7.059 7.062 1.00 0.00 H new ATOM 553 N LEU A 38 12.473 2.123 4.763 1.00 0.00 N ATOM 554 CA LEU A 38 12.071 1.258 3.657 1.00 0.00 C ATOM 555 C LEU A 38 11.728 -0.149 4.154 1.00 0.00 C ATOM 556 O LEU A 38 10.685 -0.670 3.776 1.00 0.00 O ATOM 557 CB LEU A 38 13.147 1.234 2.570 1.00 0.00 C ATOM 558 CG LEU A 38 12.752 0.437 1.313 1.00 0.00 C ATOM 559 CD1 LEU A 38 11.448 0.912 0.661 1.00 0.00 C ATOM 560 CD2 LEU A 38 13.891 0.554 0.301 1.00 0.00 C ATOM 0 H LEU A 38 13.394 2.548 4.652 1.00 0.00 H new ATOM 0 HA LEU A 38 11.165 1.669 3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.378 2.259 2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.059 0.807 2.986 1.00 0.00 H new ATOM 0 HG LEU A 38 12.579 -0.594 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.237 0.302 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.629 0.817 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.549 1.955 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.636 -0.003 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.046 1.603 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.805 0.146 0.733 1.00 0.00 H new ATOM 572 N GLY A 39 12.488 -0.714 5.099 1.00 0.00 N ATOM 573 CA GLY A 39 12.218 -2.052 5.631 1.00 0.00 C ATOM 574 C GLY A 39 10.893 -2.187 6.382 1.00 0.00 C ATOM 575 O GLY A 39 10.558 -3.279 6.842 1.00 0.00 O ATOM 0 H GLY A 39 13.302 -0.259 5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.226 -2.764 4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.030 -2.332 6.302 1.00 0.00 H new ATOM 579 N ARG A 40 10.149 -1.097 6.586 1.00 0.00 N ATOM 580 CA ARG A 40 8.842 -1.155 7.227 1.00 0.00 C ATOM 581 C ARG A 40 7.784 -1.258 6.119 1.00 0.00 C ATOM 582 O ARG A 40 6.712 -1.794 6.367 1.00 0.00 O ATOM 583 CB ARG A 40 8.670 -0.014 8.233 1.00 0.00 C ATOM 584 CG ARG A 40 7.250 0.018 8.807 1.00 0.00 C ATOM 585 CD ARG A 40 7.289 0.790 10.117 1.00 0.00 C ATOM 586 NE ARG A 40 6.043 0.634 10.866 1.00 0.00 N ATOM 587 CZ ARG A 40 5.888 0.951 12.152 1.00 0.00 C ATOM 588 NH1 ARG A 40 6.846 1.601 12.803 1.00 0.00 N ATOM 589 NH2 ARG A 40 4.734 0.649 12.726 1.00 0.00 N ATOM 0 H ARG A 40 10.437 -0.158 6.312 1.00 0.00 H new ATOM 0 HA ARG A 40 8.724 -2.042 7.850 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.389 -0.131 9.044 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.889 0.937 7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.566 0.494 8.105 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.883 -0.995 8.973 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.125 0.440 10.722 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.463 1.847 9.913 1.00 0.00 H new ATOM 0 HE ARG A 40 5.236 0.256 10.370 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.706 1.860 12.319 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.722 1.841 13.787 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.001 0.189 12.186 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.578 0.876 13.708 1.00 0.00 H new ATOM 603 N VAL A 41 8.068 -0.787 4.893 1.00 0.00 N ATOM 604 CA VAL A 41 7.169 -0.865 3.748 1.00 0.00 C ATOM 605 C VAL A 41 6.886 -2.351 3.513 1.00 0.00 C ATOM 606 O VAL A 41 5.724 -2.744 3.548 1.00 0.00 O ATOM 607 CB VAL A 41 7.806 -0.201 2.503 1.00 0.00 C ATOM 608 CG1 VAL A 41 6.898 -0.233 1.266 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.148 1.277 2.754 1.00 0.00 C ATOM 0 H VAL A 41 8.954 -0.331 4.674 1.00 0.00 H new ATOM 0 HA VAL A 41 6.240 -0.327 3.938 1.00 0.00 H new ATOM 0 HB VAL A 41 8.704 -0.790 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.405 0.249 0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.673 -1.267 1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.970 0.297 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.593 1.705 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.239 1.823 3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.855 1.352 3.580 1.00 0.00 H new ATOM 619 N VAL A 42 7.933 -3.173 3.365 1.00 0.00 N ATOM 620 CA VAL A 42 7.863 -4.618 3.126 1.00 0.00 C ATOM 621 C VAL A 42 6.936 -5.342 4.110 1.00 0.00 C ATOM 622 O VAL A 42 6.244 -6.284 3.730 1.00 0.00 O ATOM 623 CB VAL A 42 9.306 -5.192 3.125 1.00 0.00 C ATOM 624 CG1 VAL A 42 10.104 -4.834 4.369 1.00 0.00 C ATOM 625 CG2 VAL A 42 9.398 -6.709 2.913 1.00 0.00 C ATOM 0 H VAL A 42 8.893 -2.833 3.411 1.00 0.00 H new ATOM 0 HA VAL A 42 7.411 -4.793 2.150 1.00 0.00 H new ATOM 0 HB VAL A 42 9.746 -4.702 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.101 -5.268 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.185 -3.750 4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.598 -5.227 5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.444 -7.016 2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.858 -7.221 3.710 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.957 -6.969 1.951 1.00 0.00 H new ATOM 635 N HIS A 43 6.901 -4.903 5.367 1.00 0.00 N ATOM 636 CA HIS A 43 6.089 -5.504 6.420 1.00 0.00 C ATOM 637 C HIS A 43 4.603 -5.394 6.092 1.00 0.00 C ATOM 638 O HIS A 43 3.817 -6.257 6.497 1.00 0.00 O ATOM 639 CB HIS A 43 6.387 -4.779 7.740 1.00 0.00 C ATOM 640 CG HIS A 43 5.903 -5.460 8.995 1.00 0.00 C ATOM 641 ND1 HIS A 43 4.650 -5.983 9.213 1.00 0.00 N ATOM 642 CD2 HIS A 43 6.595 -5.545 10.171 1.00 0.00 C ATOM 643 CE1 HIS A 43 4.590 -6.385 10.492 1.00 0.00 C ATOM 644 NE2 HIS A 43 5.738 -6.095 11.134 1.00 0.00 N ATOM 0 H HIS A 43 7.448 -4.104 5.687 1.00 0.00 H new ATOM 0 HA HIS A 43 6.336 -6.562 6.505 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.465 -4.640 7.819 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.940 -3.786 7.694 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.900 -6.053 8.525 1.00 0.00 H new ATOM 0 HD2 HIS A 43 7.619 -5.242 10.330 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.739 -6.873 10.944 1.00 0.00 H new ATOM 652 N ILE A 44 4.205 -4.326 5.395 1.00 0.00 N ATOM 653 CA ILE A 44 2.814 -4.131 5.030 1.00 0.00 C ATOM 654 C ILE A 44 2.461 -5.239 4.023 1.00 0.00 C ATOM 655 O ILE A 44 1.456 -5.929 4.190 1.00 0.00 O ATOM 656 CB ILE A 44 2.569 -2.714 4.456 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.092 -1.568 5.358 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.055 -2.511 4.188 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.142 -0.206 4.642 1.00 0.00 C ATOM 0 H ILE A 44 4.832 -3.588 5.076 1.00 0.00 H new ATOM 0 HA ILE A 44 2.168 -4.199 5.905 1.00 0.00 H new ATOM 0 HB ILE A 44 3.140 -2.661 3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.453 -1.486 6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.091 -1.821 5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.888 -1.512 3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.710 -3.255 3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.502 -2.622 5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.517 0.553 5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.804 -0.273 3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.140 0.068 4.311 1.00 0.00 H new ATOM 671 N ILE A 45 3.296 -5.439 2.994 1.00 0.00 N ATOM 672 CA ILE A 45 3.063 -6.461 1.978 1.00 0.00 C ATOM 673 C ILE A 45 3.067 -7.844 2.622 1.00 0.00 C ATOM 674 O ILE A 45 2.200 -8.640 2.288 1.00 0.00 O ATOM 675 CB ILE A 45 4.059 -6.364 0.806 1.00 0.00 C ATOM 676 CG1 ILE A 45 3.983 -4.989 0.105 1.00 0.00 C ATOM 677 CG2 ILE A 45 3.767 -7.457 -0.232 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.147 -4.094 0.527 1.00 0.00 C ATOM 0 H ILE A 45 4.147 -4.896 2.847 1.00 0.00 H new ATOM 0 HA ILE A 45 2.079 -6.286 1.543 1.00 0.00 H new ATOM 0 HB ILE A 45 5.058 -6.494 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.999 -5.127 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.039 -4.503 0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.478 -7.377 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.862 -8.437 0.235 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.754 -7.334 -0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.069 -3.133 0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.114 -3.938 1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.089 -4.571 0.258 1.00 0.00 H new ATOM 690 N GLN A 46 3.947 -8.132 3.584 1.00 0.00 N ATOM 691 CA GLN A 46 3.982 -9.438 4.244 1.00 0.00 C ATOM 692 C GLN A 46 2.639 -9.775 4.920 1.00 0.00 C ATOM 693 O GLN A 46 2.335 -10.944 5.167 1.00 0.00 O ATOM 694 CB GLN A 46 5.153 -9.485 5.230 1.00 0.00 C ATOM 695 CG GLN A 46 6.508 -9.576 4.506 1.00 0.00 C ATOM 696 CD GLN A 46 7.670 -9.719 5.487 1.00 0.00 C ATOM 697 OE1 GLN A 46 7.818 -8.927 6.412 1.00 0.00 O ATOM 698 NE2 GLN A 46 8.493 -10.740 5.322 1.00 0.00 N ATOM 0 H GLN A 46 4.648 -7.474 3.924 1.00 0.00 H new ATOM 0 HA GLN A 46 4.139 -10.207 3.488 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.136 -8.594 5.857 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.036 -10.343 5.892 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.500 -10.428 3.826 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.655 -8.684 3.897 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.353 -11.388 4.547 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.268 -10.880 5.970 1.00 0.00 H new ATOM 707 N SER A 47 1.817 -8.770 5.240 1.00 0.00 N ATOM 708 CA SER A 47 0.511 -8.991 5.846 1.00 0.00 C ATOM 709 C SER A 47 -0.473 -9.461 4.766 1.00 0.00 C ATOM 710 O SER A 47 -1.376 -10.258 5.039 1.00 0.00 O ATOM 711 CB SER A 47 0.049 -7.678 6.493 1.00 0.00 C ATOM 712 OG SER A 47 -1.138 -7.813 7.247 1.00 0.00 O ATOM 0 H SER A 47 2.042 -7.787 5.085 1.00 0.00 H new ATOM 0 HA SER A 47 0.561 -9.762 6.614 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.841 -7.302 7.140 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.107 -6.932 5.713 1.00 0.00 H new ATOM 0 HG SER A 47 -1.380 -6.946 7.634 1.00 0.00 H new ATOM 718 N ARG A 48 -0.313 -8.968 3.538 1.00 0.00 N ATOM 719 CA ARG A 48 -1.142 -9.274 2.378 1.00 0.00 C ATOM 720 C ARG A 48 -0.727 -10.566 1.695 1.00 0.00 C ATOM 721 O ARG A 48 -1.590 -11.329 1.275 1.00 0.00 O ATOM 722 CB ARG A 48 -0.996 -8.139 1.350 1.00 0.00 C ATOM 723 CG ARG A 48 -1.434 -6.771 1.885 1.00 0.00 C ATOM 724 CD ARG A 48 -2.894 -6.479 1.541 1.00 0.00 C ATOM 725 NE ARG A 48 -3.539 -5.651 2.567 1.00 0.00 N ATOM 726 CZ ARG A 48 -4.325 -6.061 3.564 1.00 0.00 C ATOM 727 NH1 ARG A 48 -4.676 -7.343 3.647 1.00 0.00 N ATOM 728 NH2 ARG A 48 -4.753 -5.189 4.464 1.00 0.00 N ATOM 0 H ARG A 48 0.436 -8.312 3.317 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.168 -9.380 2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.045 -8.080 1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.587 -8.381 0.467 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -1.301 -6.742 2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.797 -5.993 1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.946 -5.971 0.578 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.438 -7.418 1.436 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.367 -4.647 2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.344 -8.009 2.949 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.277 -7.659 4.408 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.482 -4.208 4.393 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.354 -5.498 5.228 1.00 0.00 H new ATOM 742 N GLU A 49 0.571 -10.814 1.606 1.00 0.00 N ATOM 743 CA GLU A 49 1.165 -11.965 0.951 1.00 0.00 C ATOM 744 C GLU A 49 1.710 -12.879 2.055 1.00 0.00 C ATOM 745 O GLU A 49 2.816 -12.649 2.554 1.00 0.00 O ATOM 746 CB GLU A 49 2.228 -11.465 -0.045 1.00 0.00 C ATOM 747 CG GLU A 49 1.767 -10.307 -0.956 1.00 0.00 C ATOM 748 CD GLU A 49 0.423 -10.543 -1.657 1.00 0.00 C ATOM 749 OE1 GLU A 49 0.301 -11.577 -2.353 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.511 -9.716 -1.509 1.00 0.00 O ATOM 0 H GLU A 49 1.269 -10.188 2.008 1.00 0.00 H new ATOM 0 HA GLU A 49 0.454 -12.548 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.106 -11.141 0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.540 -12.300 -0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.696 -9.398 -0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.531 -10.131 -1.713 1.00 0.00 H new ATOM 757 N PRO A 50 0.956 -13.913 2.474 1.00 0.00 N ATOM 758 CA PRO A 50 1.375 -14.796 3.550 1.00 0.00 C ATOM 759 C PRO A 50 2.690 -15.533 3.313 1.00 0.00 C ATOM 760 O PRO A 50 3.525 -15.556 4.218 1.00 0.00 O ATOM 761 CB PRO A 50 0.177 -15.713 3.836 1.00 0.00 C ATOM 762 CG PRO A 50 -0.604 -15.717 2.525 1.00 0.00 C ATOM 763 CD PRO A 50 -0.358 -14.312 1.982 1.00 0.00 C ATOM 0 HA PRO A 50 1.632 -14.209 4.431 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.499 -16.717 4.112 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.428 -15.335 4.660 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.242 -16.484 1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.665 -15.908 2.686 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.385 -14.305 0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.129 -13.621 2.324 1.00 0.00 H new ATOM 771 N SER A 51 2.907 -16.117 2.136 1.00 0.00 N ATOM 772 CA SER A 51 4.138 -16.836 1.820 1.00 0.00 C ATOM 773 C SER A 51 5.348 -15.942 2.086 1.00 0.00 C ATOM 774 O SER A 51 6.232 -16.293 2.868 1.00 0.00 O ATOM 775 CB SER A 51 4.079 -17.335 0.371 1.00 0.00 C ATOM 776 OG SER A 51 3.391 -16.413 -0.463 1.00 0.00 O ATOM 0 H SER A 51 2.231 -16.104 1.372 1.00 0.00 H new ATOM 0 HA SER A 51 4.242 -17.709 2.464 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.091 -17.485 -0.006 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.579 -18.303 0.337 1.00 0.00 H new ATOM 0 HG SER A 51 3.370 -16.755 -1.381 1.00 0.00 H new ATOM 782 N LEU A 52 5.326 -14.737 1.516 1.00 0.00 N ATOM 783 CA LEU A 52 6.376 -13.731 1.624 1.00 0.00 C ATOM 784 C LEU A 52 6.662 -13.304 3.066 1.00 0.00 C ATOM 785 O LEU A 52 7.707 -12.705 3.322 1.00 0.00 O ATOM 786 CB LEU A 52 6.036 -12.535 0.715 1.00 0.00 C ATOM 787 CG LEU A 52 6.343 -12.735 -0.785 1.00 0.00 C ATOM 788 CD1 LEU A 52 7.791 -13.171 -1.022 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.410 -13.738 -1.474 1.00 0.00 C ATOM 0 H LEU A 52 4.542 -14.425 0.943 1.00 0.00 H new ATOM 0 HA LEU A 52 7.307 -14.182 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.976 -12.307 0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.587 -11.664 1.068 1.00 0.00 H new ATOM 0 HG LEU A 52 6.175 -11.754 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.962 -13.300 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.468 -12.409 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.975 -14.115 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.685 -13.828 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.501 -14.711 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.380 -13.389 -1.397 1.00 0.00 H new ATOM 801 N LYS A 53 5.775 -13.576 4.029 1.00 0.00 N ATOM 802 CA LYS A 53 6.021 -13.235 5.432 1.00 0.00 C ATOM 803 C LYS A 53 7.106 -14.150 6.018 1.00 0.00 C ATOM 804 O LYS A 53 7.620 -13.883 7.096 1.00 0.00 O ATOM 805 CB LYS A 53 4.712 -13.362 6.228 1.00 0.00 C ATOM 806 CG LYS A 53 4.813 -12.704 7.614 1.00 0.00 C ATOM 807 CD LYS A 53 3.446 -12.534 8.282 1.00 0.00 C ATOM 808 CE LYS A 53 3.072 -13.839 8.993 1.00 0.00 C ATOM 809 NZ LYS A 53 1.674 -13.869 9.462 1.00 0.00 N ATOM 0 H LYS A 53 4.879 -14.032 3.861 1.00 0.00 H new ATOM 0 HA LYS A 53 6.374 -12.206 5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.900 -12.900 5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.460 -14.416 6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.454 -13.310 8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.290 -11.729 7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.476 -11.711 8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.692 -12.282 7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.238 -14.675 8.314 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.737 -13.984 9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.485 -14.777 9.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.516 -13.091 10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.033 -13.761 8.650 1.00 0.00 H new ATOM 823 N ASN A 54 7.458 -15.226 5.313 1.00 0.00 N ATOM 824 CA ASN A 54 8.438 -16.225 5.711 1.00 0.00 C ATOM 825 C ASN A 54 9.735 -16.043 4.920 1.00 0.00 C ATOM 826 O ASN A 54 10.400 -17.037 4.617 1.00 0.00 O ATOM 827 CB ASN A 54 7.839 -17.638 5.540 1.00 0.00 C ATOM 828 CG ASN A 54 6.557 -17.839 6.335 1.00 0.00 C ATOM 829 OD1 ASN A 54 6.533 -18.528 7.346 1.00 0.00 O ATOM 830 ND2 ASN A 54 5.438 -17.273 5.894 1.00 0.00 N ATOM 0 H ASN A 54 7.044 -15.430 4.404 1.00 0.00 H new ATOM 0 HA ASN A 54 8.688 -16.097 6.764 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.637 -17.816 4.484 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.574 -18.379 5.853 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.562 -17.414 6.398 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.455 -16.698 5.052 1.00 0.00 H new ATOM 837 N SER A 55 10.079 -14.808 4.545 1.00 0.00 N ATOM 838 CA SER A 55 11.279 -14.428 3.803 1.00 0.00 C ATOM 839 C SER A 55 11.930 -13.234 4.511 1.00 0.00 C ATOM 840 O SER A 55 11.239 -12.478 5.202 1.00 0.00 O ATOM 841 CB SER A 55 10.920 -14.088 2.350 1.00 0.00 C ATOM 842 OG SER A 55 10.437 -15.222 1.657 1.00 0.00 O ATOM 0 H SER A 55 9.493 -14.003 4.765 1.00 0.00 H new ATOM 0 HA SER A 55 11.986 -15.258 3.777 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.165 -13.302 2.335 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.799 -13.695 1.839 1.00 0.00 H new ATOM 0 HG SER A 55 10.216 -14.972 0.736 1.00 0.00 H new ATOM 848 N ASN A 56 13.254 -13.086 4.382 1.00 0.00 N ATOM 849 CA ASN A 56 13.984 -11.978 5.004 1.00 0.00 C ATOM 850 C ASN A 56 13.592 -10.697 4.249 1.00 0.00 C ATOM 851 O ASN A 56 13.443 -10.769 3.028 1.00 0.00 O ATOM 852 CB ASN A 56 15.495 -12.243 4.906 1.00 0.00 C ATOM 853 CG ASN A 56 16.333 -11.352 5.812 1.00 0.00 C ATOM 854 OD1 ASN A 56 16.103 -11.279 7.011 1.00 0.00 O ATOM 855 ND2 ASN A 56 17.336 -10.681 5.277 1.00 0.00 N ATOM 0 H ASN A 56 13.844 -13.725 3.849 1.00 0.00 H new ATOM 0 HA ASN A 56 13.736 -11.875 6.060 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.689 -13.286 5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.814 -12.099 3.874 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.928 -10.094 5.865 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.519 -10.749 4.276 1.00 0.00 H new ATOM 862 N PRO A 57 13.461 -9.521 4.889 1.00 0.00 N ATOM 863 CA PRO A 57 13.064 -8.294 4.205 1.00 0.00 C ATOM 864 C PRO A 57 13.952 -7.918 3.018 1.00 0.00 C ATOM 865 O PRO A 57 13.457 -7.335 2.051 1.00 0.00 O ATOM 866 CB PRO A 57 13.013 -7.192 5.260 1.00 0.00 C ATOM 867 CG PRO A 57 13.360 -7.841 6.592 1.00 0.00 C ATOM 868 CD PRO A 57 13.620 -9.311 6.310 1.00 0.00 C ATOM 0 HA PRO A 57 12.086 -8.446 3.747 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.719 -6.396 5.022 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.023 -6.738 5.297 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.239 -7.371 7.034 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.543 -7.723 7.304 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.625 -9.589 6.628 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.924 -9.937 6.869 1.00 0.00 H new ATOM 876 N ASP A 58 15.236 -8.264 3.074 1.00 0.00 N ATOM 877 CA ASP A 58 16.190 -7.979 1.999 1.00 0.00 C ATOM 878 C ASP A 58 16.036 -8.933 0.805 1.00 0.00 C ATOM 879 O ASP A 58 16.385 -8.572 -0.317 1.00 0.00 O ATOM 880 CB ASP A 58 17.624 -8.099 2.524 1.00 0.00 C ATOM 881 CG ASP A 58 18.638 -7.576 1.507 1.00 0.00 C ATOM 882 OD1 ASP A 58 18.554 -6.386 1.122 1.00 0.00 O ATOM 883 OD2 ASP A 58 19.617 -8.295 1.194 1.00 0.00 O ATOM 0 H ASP A 58 15.648 -8.752 3.869 1.00 0.00 H new ATOM 0 HA ASP A 58 15.980 -6.965 1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.720 -7.540 3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.842 -9.142 2.754 1.00 0.00 H new ATOM 888 N GLU A 59 15.523 -10.148 1.027 1.00 0.00 N ATOM 889 CA GLU A 59 15.337 -11.172 -0.009 1.00 0.00 C ATOM 890 C GLU A 59 14.051 -10.943 -0.798 1.00 0.00 C ATOM 891 O GLU A 59 13.855 -11.513 -1.875 1.00 0.00 O ATOM 892 CB GLU A 59 15.222 -12.564 0.641 1.00 0.00 C ATOM 893 CG GLU A 59 16.502 -13.038 1.344 1.00 0.00 C ATOM 894 CD GLU A 59 16.293 -14.293 2.206 1.00 0.00 C ATOM 895 OE1 GLU A 59 15.145 -14.609 2.613 1.00 0.00 O ATOM 896 OE2 GLU A 59 17.291 -14.983 2.511 1.00 0.00 O ATOM 0 H GLU A 59 15.219 -10.454 1.951 1.00 0.00 H new ATOM 0 HA GLU A 59 16.198 -11.111 -0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.408 -12.548 1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.952 -13.290 -0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.265 -13.244 0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.882 -12.233 1.973 1.00 0.00 H new ATOM 903 N ILE A 60 13.151 -10.133 -0.250 1.00 0.00 N ATOM 904 CA ILE A 60 11.868 -9.822 -0.834 1.00 0.00 C ATOM 905 C ILE A 60 12.008 -8.682 -1.829 1.00 0.00 C ATOM 906 O ILE A 60 12.468 -7.589 -1.482 1.00 0.00 O ATOM 907 CB ILE A 60 10.882 -9.486 0.293 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.635 -10.727 1.174 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.546 -9.006 -0.279 1.00 0.00 C ATOM 910 CD1 ILE A 60 9.907 -10.402 2.479 1.00 0.00 C ATOM 0 H ILE A 60 13.308 -9.664 0.642 1.00 0.00 H new ATOM 0 HA ILE A 60 11.483 -10.680 -1.385 1.00 0.00 H new ATOM 0 HB ILE A 60 11.320 -8.690 0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.051 -11.454 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.591 -11.197 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.863 -8.774 0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.708 -8.112 -0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.114 -9.790 -0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.764 -11.317 3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.501 -9.697 3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.937 -9.959 2.254 1.00 0.00 H new ATOM 922 N GLU A 61 11.587 -8.939 -3.060 1.00 0.00 N ATOM 923 CA GLU A 61 11.601 -7.961 -4.136 1.00 0.00 C ATOM 924 C GLU A 61 10.217 -7.318 -4.207 1.00 0.00 C ATOM 925 O GLU A 61 9.223 -7.943 -3.828 1.00 0.00 O ATOM 926 CB GLU A 61 11.819 -8.636 -5.491 1.00 0.00 C ATOM 927 CG GLU A 61 12.985 -9.620 -5.555 1.00 0.00 C ATOM 928 CD GLU A 61 13.305 -9.942 -7.013 1.00 0.00 C ATOM 929 OE1 GLU A 61 12.389 -10.248 -7.814 1.00 0.00 O ATOM 930 OE2 GLU A 61 14.486 -9.767 -7.399 1.00 0.00 O ATOM 0 H GLU A 61 11.220 -9.848 -3.342 1.00 0.00 H new ATOM 0 HA GLU A 61 12.399 -7.246 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.906 -9.164 -5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.978 -7.862 -6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.861 -9.194 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 61 12.733 -10.534 -5.017 1.00 0.00 H new ATOM 937 N ILE A 62 10.137 -6.079 -4.675 1.00 0.00 N ATOM 938 CA ILE A 62 8.897 -5.341 -4.857 1.00 0.00 C ATOM 939 C ILE A 62 8.533 -5.640 -6.316 1.00 0.00 C ATOM 940 O ILE A 62 9.313 -5.275 -7.201 1.00 0.00 O ATOM 941 CB ILE A 62 9.105 -3.826 -4.608 1.00 0.00 C ATOM 942 CG1 ILE A 62 9.673 -3.553 -3.195 1.00 0.00 C ATOM 943 CG2 ILE A 62 7.772 -3.080 -4.784 1.00 0.00 C ATOM 944 CD1 ILE A 62 9.867 -2.062 -2.889 1.00 0.00 C ATOM 0 H ILE A 62 10.962 -5.544 -4.947 1.00 0.00 H new ATOM 0 HA ILE A 62 8.111 -5.630 -4.159 1.00 0.00 H new ATOM 0 HB ILE A 62 9.830 -3.465 -5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.001 -3.983 -2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.630 -4.064 -3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.925 -2.015 -4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.402 -3.230 -5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.043 -3.465 -4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.268 -1.946 -1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.563 -1.630 -3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.908 -1.548 -2.959 1.00 0.00 H new ATOM 956 N ASP A 63 7.410 -6.321 -6.581 1.00 0.00 N ATOM 957 CA ASP A 63 6.993 -6.644 -7.949 1.00 0.00 C ATOM 958 C ASP A 63 5.542 -6.246 -8.141 1.00 0.00 C ATOM 959 O ASP A 63 4.616 -6.860 -7.613 1.00 0.00 O ATOM 960 CB ASP A 63 7.211 -8.118 -8.311 1.00 0.00 C ATOM 961 CG ASP A 63 7.738 -8.280 -9.733 1.00 0.00 C ATOM 962 OD1 ASP A 63 7.593 -7.343 -10.557 1.00 0.00 O ATOM 963 OD2 ASP A 63 8.325 -9.351 -10.007 1.00 0.00 O ATOM 0 H ASP A 63 6.772 -6.660 -5.861 1.00 0.00 H new ATOM 0 HA ASP A 63 7.625 -6.073 -8.629 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.916 -8.564 -7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.271 -8.661 -8.208 1.00 0.00 H new ATOM 968 N PHE A 64 5.318 -5.146 -8.845 1.00 0.00 N ATOM 969 CA PHE A 64 3.985 -4.619 -9.081 1.00 0.00 C ATOM 970 C PHE A 64 3.254 -5.474 -10.106 1.00 0.00 C ATOM 971 O PHE A 64 2.025 -5.406 -10.237 1.00 0.00 O ATOM 972 CB PHE A 64 4.117 -3.168 -9.546 1.00 0.00 C ATOM 973 CG PHE A 64 4.852 -2.265 -8.567 1.00 0.00 C ATOM 974 CD1 PHE A 64 6.263 -2.259 -8.507 1.00 0.00 C ATOM 975 CD2 PHE A 64 4.125 -1.430 -7.700 1.00 0.00 C ATOM 976 CE1 PHE A 64 6.932 -1.421 -7.597 1.00 0.00 C ATOM 977 CE2 PHE A 64 4.796 -0.593 -6.791 1.00 0.00 C ATOM 978 CZ PHE A 64 6.198 -0.584 -6.741 1.00 0.00 C ATOM 0 H PHE A 64 6.061 -4.592 -9.270 1.00 0.00 H new ATOM 0 HA PHE A 64 3.396 -4.646 -8.164 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.640 -3.151 -10.502 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.121 -2.762 -9.720 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.831 -2.901 -9.163 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.045 -1.432 -7.732 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.011 -1.421 -7.556 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.230 0.045 -6.129 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.711 0.065 -6.046 1.00 0.00 H new ATOM 988 N GLU A 65 4.002 -6.321 -10.808 1.00 0.00 N ATOM 989 CA GLU A 65 3.502 -7.194 -11.821 1.00 0.00 C ATOM 990 C GLU A 65 2.852 -8.451 -11.231 1.00 0.00 C ATOM 991 O GLU A 65 2.117 -9.126 -11.953 1.00 0.00 O ATOM 992 CB GLU A 65 4.617 -7.383 -12.855 1.00 0.00 C ATOM 993 CG GLU A 65 5.420 -8.676 -12.783 1.00 0.00 C ATOM 994 CD GLU A 65 6.386 -8.732 -13.969 1.00 0.00 C ATOM 995 OE1 GLU A 65 5.954 -9.166 -15.061 1.00 0.00 O ATOM 996 OE2 GLU A 65 7.562 -8.314 -13.834 1.00 0.00 O ATOM 0 H GLU A 65 5.009 -6.408 -10.668 1.00 0.00 H new ATOM 0 HA GLU A 65 2.658 -6.766 -12.362 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.172 -7.316 -13.848 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.311 -6.548 -12.760 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.973 -8.723 -11.845 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.751 -9.536 -12.802 1.00 0.00 H new ATOM 1003 N THR A 66 3.012 -8.719 -9.930 1.00 0.00 N ATOM 1004 CA THR A 66 2.396 -9.877 -9.283 1.00 0.00 C ATOM 1005 C THR A 66 1.561 -9.487 -8.055 1.00 0.00 C ATOM 1006 O THR A 66 0.698 -10.264 -7.641 1.00 0.00 O ATOM 1007 CB THR A 66 3.470 -10.918 -8.924 1.00 0.00 C ATOM 1008 OG1 THR A 66 4.462 -10.392 -8.062 1.00 0.00 O ATOM 1009 CG2 THR A 66 4.216 -11.441 -10.156 1.00 0.00 C ATOM 0 H THR A 66 3.570 -8.141 -9.301 1.00 0.00 H new ATOM 0 HA THR A 66 1.702 -10.322 -9.996 1.00 0.00 H new ATOM 0 HB THR A 66 2.915 -11.720 -8.438 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.122 -11.088 -7.859 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.962 -12.172 -9.846 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.508 -11.912 -10.838 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.710 -10.611 -10.662 1.00 0.00 H new ATOM 1017 N LEU A 67 1.771 -8.300 -7.475 1.00 0.00 N ATOM 1018 CA LEU A 67 1.046 -7.855 -6.280 1.00 0.00 C ATOM 1019 C LEU A 67 -0.388 -7.433 -6.572 1.00 0.00 C ATOM 1020 O LEU A 67 -0.715 -7.047 -7.695 1.00 0.00 O ATOM 1021 CB LEU A 67 1.793 -6.683 -5.623 1.00 0.00 C ATOM 1022 CG LEU A 67 3.094 -7.131 -4.935 1.00 0.00 C ATOM 1023 CD1 LEU A 67 3.959 -5.910 -4.625 1.00 0.00 C ATOM 1024 CD2 LEU A 67 2.827 -7.892 -3.636 1.00 0.00 C ATOM 0 H LEU A 67 2.449 -7.621 -7.821 1.00 0.00 H new ATOM 0 HA LEU A 67 1.001 -8.711 -5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.024 -5.933 -6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.143 -6.206 -4.890 1.00 0.00 H new ATOM 0 HG LEU A 67 3.609 -7.803 -5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.880 -6.231 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.201 -5.391 -5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.414 -5.236 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.775 -8.188 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.282 -7.250 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.234 -8.781 -3.850 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.234 -7.479 -5.537 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.641 -7.091 -5.624 1.00 0.00 C ATOM 1038 C LYS A 68 -2.797 -5.570 -5.579 1.00 0.00 C ATOM 1039 O LYS A 68 -1.989 -4.894 -4.938 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.426 -7.674 -4.435 1.00 0.00 C ATOM 1041 CG LYS A 68 -3.853 -9.109 -4.722 1.00 0.00 C ATOM 1042 CD LYS A 68 -4.810 -9.650 -3.657 1.00 0.00 C ATOM 1043 CE LYS A 68 -5.309 -11.058 -4.010 1.00 0.00 C ATOM 1044 NZ LYS A 68 -4.219 -12.022 -4.263 1.00 0.00 N ATOM 0 H LYS A 68 -0.955 -7.790 -4.607 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.025 -7.475 -6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.809 -7.646 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.305 -7.060 -4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.335 -9.155 -5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.970 -9.746 -4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.305 -9.674 -2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.661 -8.976 -3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.930 -11.430 -3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.944 -10.999 -4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.617 -12.978 -4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.722 -11.762 -5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.550 -12.006 -3.467 1.00 0.00 H new ATOM 1058 N PRO A 69 -3.882 -5.018 -6.153 1.00 0.00 N ATOM 1059 CA PRO A 69 -4.129 -3.583 -6.136 1.00 0.00 C ATOM 1060 C PRO A 69 -4.323 -3.080 -4.703 1.00 0.00 C ATOM 1061 O PRO A 69 -3.837 -1.998 -4.369 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.349 -3.356 -7.028 1.00 0.00 C ATOM 1063 CG PRO A 69 -6.044 -4.710 -7.108 1.00 0.00 C ATOM 1064 CD PRO A 69 -4.905 -5.710 -6.926 1.00 0.00 C ATOM 0 HA PRO A 69 -3.282 -3.013 -6.518 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -6.010 -2.599 -6.606 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.054 -3.006 -8.017 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.801 -4.819 -6.331 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.548 -4.846 -8.065 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.250 -6.603 -6.405 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.513 -6.034 -7.890 1.00 0.00 H new ATOM 1072 N SER A 70 -4.980 -3.862 -3.841 1.00 0.00 N ATOM 1073 CA SER A 70 -5.209 -3.483 -2.454 1.00 0.00 C ATOM 1074 C SER A 70 -3.896 -3.296 -1.694 1.00 0.00 C ATOM 1075 O SER A 70 -3.772 -2.385 -0.882 1.00 0.00 O ATOM 1076 CB SER A 70 -6.071 -4.542 -1.755 1.00 0.00 C ATOM 1077 OG SER A 70 -5.559 -5.845 -2.020 1.00 0.00 O ATOM 0 H SER A 70 -5.365 -4.773 -4.090 1.00 0.00 H new ATOM 0 HA SER A 70 -5.733 -2.527 -2.454 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.084 -4.360 -0.680 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.102 -4.470 -2.103 1.00 0.00 H new ATOM 0 HG SER A 70 -6.115 -6.513 -1.568 1.00 0.00 H new ATOM 1083 N THR A 71 -2.907 -4.147 -1.965 1.00 0.00 N ATOM 1084 CA THR A 71 -1.606 -4.095 -1.329 1.00 0.00 C ATOM 1085 C THR A 71 -0.961 -2.745 -1.643 1.00 0.00 C ATOM 1086 O THR A 71 -0.574 -2.011 -0.730 1.00 0.00 O ATOM 1087 CB THR A 71 -0.787 -5.309 -1.807 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.509 -6.492 -1.501 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.590 -5.351 -1.157 1.00 0.00 C ATOM 0 H THR A 71 -2.996 -4.902 -2.645 1.00 0.00 H new ATOM 0 HA THR A 71 -1.669 -4.162 -0.243 1.00 0.00 H new ATOM 0 HB THR A 71 -0.633 -5.227 -2.883 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.999 -7.273 -1.802 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.137 -6.221 -1.519 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.140 -4.445 -1.411 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.480 -5.417 -0.075 1.00 0.00 H new ATOM 1097 N LEU A 72 -0.886 -2.382 -2.922 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.287 -1.128 -3.354 1.00 0.00 C ATOM 1099 C LEU A 72 -0.989 0.073 -2.728 1.00 0.00 C ATOM 1100 O LEU A 72 -0.330 1.019 -2.303 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.371 -1.027 -4.875 1.00 0.00 C ATOM 1102 CG LEU A 72 0.279 -2.184 -5.644 1.00 0.00 C ATOM 1103 CD1 LEU A 72 0.099 -1.949 -7.140 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.758 -2.375 -5.307 1.00 0.00 C ATOM 0 H LEU A 72 -1.241 -2.954 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 72 0.754 -1.119 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.421 -0.966 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.099 -0.095 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.221 -3.104 -5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.558 -2.767 -7.695 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.964 -1.903 -7.376 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.574 -1.009 -7.420 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.158 -3.209 -5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.308 -1.466 -5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.864 -2.586 -4.243 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.323 0.031 -2.650 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.135 1.099 -2.078 1.00 0.00 C ATOM 1118 C ARG A 73 -2.668 1.480 -0.674 1.00 0.00 C ATOM 1119 O ARG A 73 -2.674 2.675 -0.372 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.618 0.674 -2.058 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.433 1.197 -3.252 1.00 0.00 C ATOM 1122 CD ARG A 73 -5.658 2.716 -3.214 1.00 0.00 C ATOM 1123 NE ARG A 73 -6.385 3.118 -1.998 1.00 0.00 N ATOM 1124 CZ ARG A 73 -6.726 4.349 -1.607 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -6.586 5.390 -2.424 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -7.209 4.519 -0.383 1.00 0.00 N ATOM 0 H ARG A 73 -2.873 -0.759 -2.988 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.020 1.982 -2.706 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.673 -0.414 -2.042 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.075 1.030 -1.135 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.919 0.936 -4.177 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.400 0.694 -3.272 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.697 3.229 -3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.220 3.025 -4.095 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.664 2.360 -1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.214 5.254 -3.364 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.851 6.324 -2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.314 3.718 0.240 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.475 5.451 -0.065 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.251 0.524 0.166 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.816 0.855 1.522 1.00 0.00 C ATOM 1142 C GLU A 74 -0.431 1.498 1.525 1.00 0.00 C ATOM 1143 O GLU A 74 -0.156 2.365 2.353 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.805 -0.380 2.430 1.00 0.00 C ATOM 1145 CG GLU A 74 -3.154 -1.115 2.471 1.00 0.00 C ATOM 1146 CD GLU A 74 -3.399 -1.962 3.726 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -2.451 -2.210 4.509 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -4.530 -2.483 3.882 1.00 0.00 O ATOM 0 H GLU A 74 -2.207 -0.468 -0.067 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.539 1.571 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.034 -1.069 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.533 -0.077 3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.953 -0.379 2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.224 -1.762 1.596 1.00 0.00 H new ATOM 1155 N LEU A 75 0.462 1.070 0.626 1.00 0.00 N ATOM 1156 CA LEU A 75 1.808 1.638 0.557 1.00 0.00 C ATOM 1157 C LEU A 75 1.686 3.092 0.123 1.00 0.00 C ATOM 1158 O LEU A 75 2.358 3.957 0.677 1.00 0.00 O ATOM 1159 CB LEU A 75 2.718 0.895 -0.423 1.00 0.00 C ATOM 1160 CG LEU A 75 2.750 -0.630 -0.300 1.00 0.00 C ATOM 1161 CD1 LEU A 75 3.696 -1.196 -1.353 1.00 0.00 C ATOM 1162 CD2 LEU A 75 3.161 -1.072 1.105 1.00 0.00 C ATOM 0 H LEU A 75 0.277 0.337 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 75 2.263 1.547 1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.408 1.149 -1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.734 1.269 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 75 1.746 -1.019 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.724 -2.283 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.345 -0.916 -2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.697 -0.795 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.173 -2.161 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.156 -0.688 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.448 -0.683 1.832 1.00 0.00 H new ATOM 1174 N GLU A 76 0.803 3.364 -0.838 1.00 0.00 N ATOM 1175 CA GLU A 76 0.551 4.702 -1.339 1.00 0.00 C ATOM 1176 C GLU A 76 0.091 5.600 -0.187 1.00 0.00 C ATOM 1177 O GLU A 76 0.557 6.733 -0.056 1.00 0.00 O ATOM 1178 CB GLU A 76 -0.473 4.613 -2.466 1.00 0.00 C ATOM 1179 CG GLU A 76 -0.909 6.003 -2.935 1.00 0.00 C ATOM 1180 CD GLU A 76 -1.883 5.899 -4.101 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -2.813 5.062 -4.020 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -1.803 6.735 -5.029 1.00 0.00 O ATOM 0 H GLU A 76 0.238 2.646 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 76 1.457 5.150 -1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.047 4.062 -3.304 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.344 4.053 -2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.378 6.540 -2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.035 6.581 -3.236 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.825 5.115 0.655 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.316 5.864 1.791 1.00 0.00 C ATOM 1191 C ARG A 77 -0.154 6.133 2.738 1.00 0.00 C ATOM 1192 O ARG A 77 -0.040 7.252 3.238 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.434 5.063 2.468 1.00 0.00 C ATOM 1194 CG ARG A 77 -3.766 5.195 1.713 1.00 0.00 C ATOM 1195 CD ARG A 77 -5.012 4.773 2.502 1.00 0.00 C ATOM 1196 NE ARG A 77 -5.149 5.362 3.846 1.00 0.00 N ATOM 1197 CZ ARG A 77 -5.092 6.644 4.228 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -4.813 7.625 3.371 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -5.330 6.918 5.501 1.00 0.00 N ATOM 0 H ARG A 77 -1.242 4.189 0.559 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.731 6.824 1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.148 4.012 2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.561 5.411 3.493 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.887 6.233 1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.711 4.595 0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.895 5.036 1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.006 3.687 2.600 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.312 4.692 4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.635 7.410 2.390 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.778 8.591 3.696 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.548 6.164 6.153 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.296 7.883 5.830 1.00 0.00 H new ATOM 1213 N TYR A 78 0.709 5.143 2.963 1.00 0.00 N ATOM 1214 CA TYR A 78 1.861 5.265 3.833 1.00 0.00 C ATOM 1215 C TYR A 78 2.837 6.339 3.327 1.00 0.00 C ATOM 1216 O TYR A 78 3.171 7.239 4.105 1.00 0.00 O ATOM 1217 CB TYR A 78 2.512 3.888 3.998 1.00 0.00 C ATOM 1218 CG TYR A 78 3.701 3.885 4.927 1.00 0.00 C ATOM 1219 CD1 TYR A 78 3.500 3.787 6.316 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.004 3.944 4.399 1.00 0.00 C ATOM 1221 CE1 TYR A 78 4.601 3.743 7.184 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.109 3.897 5.261 1.00 0.00 C ATOM 1223 CZ TYR A 78 5.906 3.809 6.657 1.00 0.00 C ATOM 1224 OH TYR A 78 6.969 3.715 7.495 1.00 0.00 O ATOM 0 H TYR A 78 0.619 4.221 2.535 1.00 0.00 H new ATOM 0 HA TYR A 78 1.544 5.606 4.819 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.767 3.187 4.374 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.826 3.525 3.019 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.497 3.746 6.714 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.153 4.025 3.332 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.449 3.659 8.250 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.111 3.928 4.860 1.00 0.00 H new ATOM 0 HH TYR A 78 7.799 3.777 6.978 1.00 0.00 H new ATOM 1234 N VAL A 79 3.290 6.288 2.064 1.00 0.00 N ATOM 1235 CA VAL A 79 4.226 7.283 1.524 1.00 0.00 C ATOM 1236 C VAL A 79 3.602 8.678 1.575 1.00 0.00 C ATOM 1237 O VAL A 79 4.258 9.627 2.014 1.00 0.00 O ATOM 1238 CB VAL A 79 4.741 6.929 0.107 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.453 5.575 0.087 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.670 6.893 -0.986 1.00 0.00 C ATOM 0 H VAL A 79 3.021 5.565 1.397 1.00 0.00 H new ATOM 0 HA VAL A 79 5.110 7.275 2.162 1.00 0.00 H new ATOM 0 HB VAL A 79 5.424 7.748 -0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.800 5.361 -0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.306 5.602 0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.761 4.795 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.132 6.636 -1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.918 6.145 -0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.197 7.872 -1.064 1.00 0.00 H new ATOM 1250 N THR A 80 2.321 8.797 1.214 1.00 0.00 N ATOM 1251 CA THR A 80 1.604 10.063 1.222 1.00 0.00 C ATOM 1252 C THR A 80 1.585 10.653 2.636 1.00 0.00 C ATOM 1253 O THR A 80 1.433 11.854 2.762 1.00 0.00 O ATOM 1254 CB THR A 80 0.201 9.881 0.610 1.00 0.00 C ATOM 1255 OG1 THR A 80 0.287 9.283 -0.668 1.00 0.00 O ATOM 1256 CG2 THR A 80 -0.512 11.213 0.374 1.00 0.00 C ATOM 0 H THR A 80 1.753 8.007 0.906 1.00 0.00 H new ATOM 0 HA THR A 80 2.122 10.789 0.595 1.00 0.00 H new ATOM 0 HB THR A 80 -0.346 9.268 1.326 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.377 8.312 -0.569 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.495 11.028 -0.058 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.625 11.738 1.322 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.076 11.824 -0.311 1.00 0.00 H new ATOM 1264 N SER A 81 1.734 9.893 3.721 1.00 0.00 N ATOM 1265 CA SER A 81 1.744 10.485 5.064 1.00 0.00 C ATOM 1266 C SER A 81 3.125 11.006 5.447 1.00 0.00 C ATOM 1267 O SER A 81 3.227 11.825 6.357 1.00 0.00 O ATOM 1268 CB SER A 81 1.276 9.489 6.115 1.00 0.00 C ATOM 1269 OG SER A 81 -0.118 9.339 6.024 1.00 0.00 O ATOM 0 H SER A 81 1.848 8.880 3.701 1.00 0.00 H new ATOM 0 HA SER A 81 1.050 11.325 5.033 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.767 8.528 5.966 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.552 9.837 7.111 1.00 0.00 H new ATOM 0 HG SER A 81 -0.423 8.697 6.699 1.00 0.00 H new ATOM 1275 N CYS A 82 4.190 10.524 4.812 1.00 0.00 N ATOM 1276 CA CYS A 82 5.542 10.987 5.085 1.00 0.00 C ATOM 1277 C CYS A 82 5.743 12.287 4.304 1.00 0.00 C ATOM 1278 O CYS A 82 6.176 13.310 4.828 1.00 0.00 O ATOM 1279 CB CYS A 82 6.539 9.908 4.635 1.00 0.00 C ATOM 1280 SG CYS A 82 6.312 8.437 5.664 1.00 0.00 S ATOM 0 H CYS A 82 4.137 9.801 4.094 1.00 0.00 H new ATOM 0 HA CYS A 82 5.702 11.170 6.148 1.00 0.00 H new ATOM 0 HB2 CYS A 82 6.380 9.662 3.585 1.00 0.00 H new ATOM 0 HB3 CYS A 82 7.561 10.277 4.725 1.00 0.00 H new ATOM 0 HG CYS A 82 5.987 7.427 4.912 1.00 0.00 H new ATOM 1286 N LEU A 83 5.350 12.249 3.034 1.00 0.00 N ATOM 1287 CA LEU A 83 5.443 13.321 2.056 1.00 0.00 C ATOM 1288 C LEU A 83 4.381 14.413 2.210 1.00 0.00 C ATOM 1289 O LEU A 83 4.348 15.323 1.378 1.00 0.00 O ATOM 1290 CB LEU A 83 5.320 12.672 0.668 1.00 0.00 C ATOM 1291 CG LEU A 83 6.404 11.613 0.395 1.00 0.00 C ATOM 1292 CD1 LEU A 83 6.001 10.794 -0.819 1.00 0.00 C ATOM 1293 CD2 LEU A 83 7.769 12.269 0.153 1.00 0.00 C ATOM 0 H LEU A 83 4.930 11.409 2.637 1.00 0.00 H new ATOM 0 HA LEU A 83 6.396 13.829 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.338 12.209 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.379 13.448 -0.095 1.00 0.00 H new ATOM 0 HG LEU A 83 6.493 10.967 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.763 10.041 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.048 10.302 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.902 11.450 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.515 11.497 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.706 12.933 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.058 12.844 1.033 1.00 0.00 H new ATOM 1305 N ARG A 84 3.503 14.354 3.214 1.00 0.00 N ATOM 1306 CA ARG A 84 2.436 15.330 3.435 1.00 0.00 C ATOM 1307 C ARG A 84 2.325 15.615 4.927 1.00 0.00 C ATOM 1308 O ARG A 84 2.464 14.684 5.716 1.00 0.00 O ATOM 1309 CB ARG A 84 1.139 14.686 2.922 1.00 0.00 C ATOM 1310 CG ARG A 84 0.013 15.650 2.602 1.00 0.00 C ATOM 1311 CD ARG A 84 0.039 15.981 1.108 1.00 0.00 C ATOM 1312 NE ARG A 84 -0.895 17.067 0.773 1.00 0.00 N ATOM 1313 CZ ARG A 84 -1.679 17.110 -0.314 1.00 0.00 C ATOM 1314 NH1 ARG A 84 -1.663 16.149 -1.229 1.00 0.00 N ATOM 1315 NH2 ARG A 84 -2.518 18.117 -0.497 1.00 0.00 N ATOM 0 H ARG A 84 3.515 13.609 3.911 1.00 0.00 H new ATOM 0 HA ARG A 84 2.632 16.269 2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.369 14.113 2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.785 13.977 3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.946 15.209 2.872 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.121 16.561 3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.049 16.268 0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.218 15.091 0.534 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.951 17.852 1.421 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.042 15.348 -1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.272 16.211 -2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.572 18.868 0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.111 18.142 -1.327 1.00 0.00 H new ATOM 1329 N LYS A 85 2.022 16.859 5.318 1.00 0.00 N ATOM 1330 CA LYS A 85 1.899 17.246 6.726 1.00 0.00 C ATOM 1331 C LYS A 85 0.851 16.406 7.446 1.00 0.00 C ATOM 1332 O LYS A 85 1.205 15.602 8.310 1.00 0.00 O ATOM 1333 CB LYS A 85 1.625 18.758 6.895 1.00 0.00 C ATOM 1334 CG LYS A 85 2.912 19.567 6.684 1.00 0.00 C ATOM 1335 CD LYS A 85 2.748 21.093 6.635 1.00 0.00 C ATOM 1336 CE LYS A 85 2.498 21.798 7.977 1.00 0.00 C ATOM 1337 NZ LYS A 85 1.080 21.830 8.387 1.00 0.00 N ATOM 0 H LYS A 85 1.855 17.625 4.665 1.00 0.00 H new ATOM 0 HA LYS A 85 2.863 17.045 7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.867 19.078 6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.226 18.952 7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.607 19.322 7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.374 19.241 5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.646 21.519 6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.919 21.326 5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.078 21.297 8.752 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.869 22.821 7.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.952 22.537 9.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.488 22.082 7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.800 20.893 8.742 1.00 0.00 H new ATOM 1351 N LYS A 86 -0.434 16.590 7.136 1.00 0.00 N ATOM 1352 CA LYS A 86 -1.492 15.836 7.798 1.00 0.00 C ATOM 1353 C LYS A 86 -2.705 15.704 6.887 1.00 0.00 C ATOM 1354 O LYS A 86 -2.869 16.480 5.939 1.00 0.00 O ATOM 1355 CB LYS A 86 -1.843 16.575 9.112 1.00 0.00 C ATOM 1356 CG LYS A 86 -2.530 15.740 10.201 1.00 0.00 C ATOM 1357 CD LYS A 86 -1.590 14.700 10.807 1.00 0.00 C ATOM 1358 CE LYS A 86 -2.315 13.929 11.912 1.00 0.00 C ATOM 1359 NZ LYS A 86 -1.742 12.584 12.084 1.00 0.00 N ATOM 0 H LYS A 86 -0.763 17.252 6.433 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.160 14.823 8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.924 16.989 9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.490 17.417 8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.894 16.401 10.988 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.400 15.238 9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.248 14.011 10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.704 15.189 11.213 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.245 14.480 12.850 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.374 13.848 11.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.252 12.083 12.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.831 12.052 11.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.737 12.665 12.340 1.00 0.00 H new ATOM 1373 N ARG A 87 -3.540 14.711 7.173 1.00 0.00 N ATOM 1374 CA ARG A 87 -4.793 14.352 6.512 1.00 0.00 C ATOM 1375 C ARG A 87 -5.764 13.969 7.635 1.00 0.00 C ATOM 1376 O ARG A 87 -5.323 13.810 8.776 1.00 0.00 O ATOM 1377 CB ARG A 87 -4.567 13.165 5.553 1.00 0.00 C ATOM 1378 CG ARG A 87 -3.872 13.526 4.230 1.00 0.00 C ATOM 1379 CD ARG A 87 -4.834 13.816 3.074 1.00 0.00 C ATOM 1380 NE ARG A 87 -5.650 15.014 3.311 1.00 0.00 N ATOM 1381 CZ ARG A 87 -5.270 16.284 3.138 1.00 0.00 C ATOM 1382 NH1 ARG A 87 -4.062 16.573 2.671 1.00 0.00 N ATOM 1383 NH2 ARG A 87 -6.114 17.253 3.452 1.00 0.00 N ATOM 0 H ARG A 87 -3.339 14.077 7.946 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.187 15.174 5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.971 12.411 6.066 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.531 12.710 5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.241 14.400 4.391 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.214 12.706 3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.264 13.944 2.154 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.489 12.957 2.926 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.603 14.862 3.641 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.412 15.822 2.440 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.784 17.546 2.543 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.038 17.025 3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.841 18.228 3.327 1.00 0.00 H new ATOM 1397 N LYS A 88 -7.055 13.802 7.318 1.00 0.00 N ATOM 1398 CA LYS A 88 -8.150 13.426 8.228 1.00 0.00 C ATOM 1399 C LYS A 88 -7.944 13.968 9.655 1.00 0.00 C ATOM 1400 O LYS A 88 -7.537 13.226 10.551 1.00 0.00 O ATOM 1401 CB LYS A 88 -8.350 11.900 8.190 1.00 0.00 C ATOM 1402 CG LYS A 88 -9.030 11.405 6.896 1.00 0.00 C ATOM 1403 CD LYS A 88 -10.549 11.641 6.859 1.00 0.00 C ATOM 1404 CE LYS A 88 -11.263 10.681 7.818 1.00 0.00 C ATOM 1405 NZ LYS A 88 -12.697 10.979 7.969 1.00 0.00 N ATOM 0 H LYS A 88 -7.385 13.933 6.362 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.069 13.898 7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.381 11.411 8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -8.952 11.598 9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.574 11.907 6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.835 10.339 6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.770 12.672 7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -10.921 11.496 5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.146 9.660 7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.783 10.729 8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -13.126 10.298 8.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -12.814 11.943 8.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -13.166 10.907 7.043 1.00 0.00 H new ATOM 1419 N PRO A 89 -8.158 15.277 9.868 1.00 0.00 N ATOM 1420 CA PRO A 89 -7.986 15.907 11.171 1.00 0.00 C ATOM 1421 C PRO A 89 -9.145 15.578 12.113 1.00 0.00 C ATOM 1422 O PRO A 89 -10.172 15.049 11.678 1.00 0.00 O ATOM 1423 CB PRO A 89 -7.961 17.406 10.869 1.00 0.00 C ATOM 1424 CG PRO A 89 -8.905 17.526 9.677 1.00 0.00 C ATOM 1425 CD PRO A 89 -8.638 16.245 8.893 1.00 0.00 C ATOM 0 HA PRO A 89 -7.083 15.557 11.671 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.305 17.996 11.719 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.957 17.753 10.626 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.946 17.596 9.993 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.692 18.414 9.082 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.545 15.890 8.403 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.898 16.412 8.111 1.00 0.00 H new ATOM 1433 N GLN A 90 -8.964 15.870 13.400 1.00 0.00 N ATOM 1434 CA GLN A 90 -9.978 15.653 14.426 1.00 0.00 C ATOM 1435 C GLN A 90 -10.887 16.874 14.476 1.00 0.00 C ATOM 1436 O GLN A 90 -10.476 17.968 14.034 1.00 0.00 O ATOM 1437 CB GLN A 90 -9.323 15.414 15.794 1.00 0.00 C ATOM 1438 CG GLN A 90 -8.810 13.982 15.997 1.00 0.00 C ATOM 1439 CD GLN A 90 -7.593 13.595 15.160 1.00 0.00 C ATOM 1440 OE1 GLN A 90 -7.601 12.608 14.431 1.00 0.00 O ATOM 1441 NE2 GLN A 90 -6.483 14.298 15.314 1.00 0.00 N ATOM 0 H GLN A 90 -8.098 16.269 13.762 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.563 14.767 14.180 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.491 16.108 15.913 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.045 15.645 16.577 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.562 13.849 17.050 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.620 13.289 15.771 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.479 15.118 15.920 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.631 14.020 14.826 1.00 0.00 H new TER 1450 GLN A 90