USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 702 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 100 SER OG : rot -40:sc= -3.06! USER MOD Set 1.2: A 104 SER OG : rot 58:sc= 1.04 USER MOD Set 2.1: A 93 THR OG1 : rot 180:sc=-0.00837 USER MOD Set 2.2: A 97 GLN : amide:sc= -1.94 K(o=-2,f=-4.5!) USER MOD Set 3.1: A 21 THR OG1 : rot 150:sc= -3.6! USER MOD Set 3.2: A 36 GLN : amide:sc= -6.96! K(o=-19!,f=-14) USER MOD Set 3.3: A 84 GLN : amide:sc= -8.49! C(o=-19!,f=-16!) USER MOD Set 4.1: A 58 SER OG : rot 2:sc= 0.738 USER MOD Set 4.2: A 75 MET CE :methyl -178:sc= 0 (180deg=0) USER MOD Set 5.1: A 20 SER OG : rot 107:sc= -0.587 USER MOD Set 5.2: A 39 THR OG1 : rot 63:sc= 1.14 USER MOD Set 6.1: A 3 CYS SG : rot -22:sc= -0.164 USER MOD Set 6.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Set 6.3: A 12 LYS NZ :NH3+ -174:sc= 0.0909 (180deg=0.0817) USER MOD Single : A 8 LYS NZ :NH3+ 140:sc= 0.0456 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.426 X(o=-0.43,f=-0.16) USER MOD Single : A 10 HIS : no HE2:sc= -5.78! C(o=-5.8!,f=-8.4!) USER MOD Single : A 19 LYS NZ :NH3+ 152:sc=-0.00998 (180deg=-0.475) USER MOD Single : A 24 MET CE :methyl -155:sc= -7.58! (180deg=-10.2!) USER MOD Single : A 27 MET CE :methyl -112:sc= -1.24 (180deg=-2.13!) USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -3.28 (180deg=-4.28!) USER MOD Single : A 30 THR OG1 : rot -74:sc= 0.345 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc=-0.000942 USER MOD Single : A 44 MET CE :methyl -166:sc= -3! (180deg=-3.22!) USER MOD Single : A 45 ASN : amide:sc= -7.53! C(o=-7.5!,f=-8.1!) USER MOD Single : A 53 GLN : amide:sc= -6.83! C(o=-6.8!,f=-9!) USER MOD Single : A 55 TYR OH : rot -49:sc= 0.462 USER MOD Single : A 56 ASN : amide:sc= -2.87! C(o=-2.9!,f=-3.2!) USER MOD Single : A 66 GLN : amide:sc= -1.18 K(o=-1.2,f=-1.9!) USER MOD Single : A 71 THR OG1 : rot 86:sc= 0.738 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.0419 K(o=-0.042,f=-1.6!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -1.17 K(o=-1.2,f=-3) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.717 K(o=-0.72,f=-2.3!) USER MOD Single : A 96 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.073) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 3 13.394 10.495 4.189 1.00 0.00 N ATOM 2 CA CYS A 3 12.428 9.512 4.648 1.00 0.00 C ATOM 3 C CYS A 3 12.945 8.904 5.954 1.00 0.00 C ATOM 4 O CYS A 3 12.159 8.529 6.822 1.00 0.00 O ATOM 5 CB CYS A 3 12.162 8.442 3.587 1.00 0.00 C ATOM 6 SG CYS A 3 13.742 7.893 2.842 1.00 0.00 S ATOM 0 HA CYS A 3 11.469 9.998 4.829 1.00 0.00 H new ATOM 0 HB2 CYS A 3 11.648 7.592 4.036 1.00 0.00 H new ATOM 0 HB3 CYS A 3 11.505 8.840 2.814 1.00 0.00 H new ATOM 0 HG CYS A 3 14.643 8.816 3.005 1.00 0.00 H new ATOM 11 N THR A 4 14.264 8.826 6.052 1.00 0.00 N ATOM 12 CA THR A 4 14.895 8.271 7.237 1.00 0.00 C ATOM 13 C THR A 4 15.000 9.333 8.333 1.00 0.00 C ATOM 14 O THR A 4 14.199 9.350 9.266 1.00 0.00 O ATOM 15 CB THR A 4 16.248 7.689 6.823 1.00 0.00 C ATOM 16 OG1 THR A 4 15.910 6.583 5.989 1.00 0.00 O ATOM 17 CG2 THR A 4 16.996 7.054 7.998 1.00 0.00 C ATOM 0 H THR A 4 14.913 9.138 5.330 1.00 0.00 H new ATOM 0 HA THR A 4 14.296 7.467 7.664 1.00 0.00 H new ATOM 0 HB THR A 4 16.862 8.475 6.383 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.730 6.148 5.674 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.949 6.656 7.650 1.00 0.00 H new ATOM 0 HG22 THR A 4 17.175 7.807 8.765 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.397 6.245 8.417 1.00 0.00 H new ATOM 25 N PHE A 5 15.994 10.195 8.183 1.00 0.00 N ATOM 26 CA PHE A 5 16.215 11.260 9.148 1.00 0.00 C ATOM 27 C PHE A 5 15.490 12.540 8.728 1.00 0.00 C ATOM 28 O PHE A 5 15.560 13.553 9.422 1.00 0.00 O ATOM 29 CB PHE A 5 17.721 11.527 9.182 1.00 0.00 C ATOM 30 CG PHE A 5 18.450 10.836 10.336 1.00 0.00 C ATOM 31 CD1 PHE A 5 18.488 11.418 11.564 1.00 0.00 C ATOM 32 CD2 PHE A 5 19.060 9.637 10.132 1.00 0.00 C ATOM 33 CE1 PHE A 5 19.164 10.775 12.634 1.00 0.00 C ATOM 34 CE2 PHE A 5 19.737 8.994 11.202 1.00 0.00 C ATOM 35 CZ PHE A 5 19.776 9.577 12.431 1.00 0.00 C ATOM 0 H PHE A 5 16.656 10.178 7.407 1.00 0.00 H new ATOM 0 HA PHE A 5 15.833 10.963 10.125 1.00 0.00 H new ATOM 0 HB2 PHE A 5 18.159 11.198 8.240 1.00 0.00 H new ATOM 0 HB3 PHE A 5 17.887 12.602 9.252 1.00 0.00 H new ATOM 0 HD1 PHE A 5 18.004 12.370 11.726 1.00 0.00 H new ATOM 0 HD2 PHE A 5 19.029 9.174 9.157 1.00 0.00 H new ATOM 0 HE1 PHE A 5 19.192 11.237 13.610 1.00 0.00 H new ATOM 0 HE2 PHE A 5 20.221 8.042 11.040 1.00 0.00 H new ATOM 0 HZ PHE A 5 20.292 9.089 13.245 1.00 0.00 H new ATOM 44 N PHE A 6 14.811 12.452 7.594 1.00 0.00 N ATOM 45 CA PHE A 6 14.073 13.591 7.074 1.00 0.00 C ATOM 46 C PHE A 6 12.734 13.753 7.794 1.00 0.00 C ATOM 47 O PHE A 6 12.350 14.864 8.156 1.00 0.00 O ATOM 48 CB PHE A 6 13.812 13.314 5.591 1.00 0.00 C ATOM 49 CG PHE A 6 14.271 14.437 4.658 1.00 0.00 C ATOM 50 CD1 PHE A 6 15.590 14.766 4.589 1.00 0.00 C ATOM 51 CD2 PHE A 6 13.363 15.106 3.900 1.00 0.00 C ATOM 52 CE1 PHE A 6 16.017 15.807 3.723 1.00 0.00 C ATOM 53 CE2 PHE A 6 13.790 16.147 3.034 1.00 0.00 C ATOM 54 CZ PHE A 6 15.107 16.476 2.964 1.00 0.00 C ATOM 0 H PHE A 6 14.756 11.610 7.021 1.00 0.00 H new ATOM 0 HA PHE A 6 14.647 14.506 7.223 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.320 12.391 5.309 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.745 13.148 5.445 1.00 0.00 H new ATOM 0 HD1 PHE A 6 16.311 14.235 5.193 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.316 14.846 3.956 1.00 0.00 H new ATOM 0 HE1 PHE A 6 17.064 16.068 3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 6 13.068 16.678 2.431 1.00 0.00 H new ATOM 0 HZ PHE A 6 15.431 17.269 2.306 1.00 0.00 H new ATOM 63 N GLU A 7 12.059 12.628 7.981 1.00 0.00 N ATOM 64 CA GLU A 7 10.770 12.633 8.652 1.00 0.00 C ATOM 65 C GLU A 7 9.935 13.829 8.191 1.00 0.00 C ATOM 66 O GLU A 7 9.869 14.846 8.880 1.00 0.00 O ATOM 67 CB GLU A 7 10.944 12.637 10.172 1.00 0.00 C ATOM 68 CG GLU A 7 12.263 13.302 10.571 1.00 0.00 C ATOM 69 CD GLU A 7 12.508 13.171 12.076 1.00 0.00 C ATOM 70 OE1 GLU A 7 11.657 13.680 12.836 1.00 0.00 O ATOM 71 OE2 GLU A 7 13.543 12.567 12.432 1.00 0.00 O ATOM 0 H GLU A 7 12.380 11.708 7.680 1.00 0.00 H new ATOM 0 HA GLU A 7 10.238 11.720 8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 7 10.111 13.166 10.636 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.920 11.614 10.547 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.086 12.843 10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 7 12.243 14.356 10.292 1.00 0.00 H new ATOM 76 N LYS A 8 9.318 13.666 7.031 1.00 0.00 N ATOM 77 CA LYS A 8 8.489 14.720 6.471 1.00 0.00 C ATOM 78 C LYS A 8 7.073 14.187 6.249 1.00 0.00 C ATOM 79 O LYS A 8 6.143 14.572 6.957 1.00 0.00 O ATOM 80 CB LYS A 8 9.135 15.294 5.206 1.00 0.00 C ATOM 81 CG LYS A 8 10.024 16.493 5.541 1.00 0.00 C ATOM 82 CD LYS A 8 10.862 16.910 4.330 1.00 0.00 C ATOM 83 CE LYS A 8 10.484 18.316 3.861 1.00 0.00 C ATOM 84 NZ LYS A 8 11.695 19.082 3.492 1.00 0.00 N ATOM 0 H LYS A 8 9.375 12.821 6.463 1.00 0.00 H new ATOM 0 HA LYS A 8 8.410 15.553 7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.728 14.523 4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.359 15.597 4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.405 17.330 5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.681 16.242 6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.921 16.881 4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.713 16.199 3.517 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.812 18.252 3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.944 18.837 4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.504 19.643 2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.955 19.718 4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.479 18.424 3.306 1.00 0.00 H new ATOM 94 N HIS A 9 6.952 13.309 5.264 1.00 0.00 N ATOM 95 CA HIS A 9 5.665 12.718 4.941 1.00 0.00 C ATOM 96 C HIS A 9 5.398 11.531 5.868 1.00 0.00 C ATOM 97 O HIS A 9 5.045 10.446 5.407 1.00 0.00 O ATOM 98 CB HIS A 9 5.596 12.343 3.460 1.00 0.00 C ATOM 99 CG HIS A 9 6.563 13.104 2.587 1.00 0.00 C ATOM 100 ND1 HIS A 9 7.574 12.486 1.870 1.00 0.00 N ATOM 101 CD2 HIS A 9 6.665 14.439 2.323 1.00 0.00 C ATOM 102 CE1 HIS A 9 8.247 13.416 1.209 1.00 0.00 C ATOM 103 NE2 HIS A 9 7.683 14.626 1.491 1.00 0.00 N ATOM 0 H HIS A 9 7.725 12.993 4.679 1.00 0.00 H new ATOM 0 HA HIS A 9 4.873 13.448 5.107 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.792 11.276 3.357 1.00 0.00 H new ATOM 0 HB3 HIS A 9 4.582 12.517 3.099 1.00 0.00 H new ATOM 0 HD2 HIS A 9 6.026 15.212 2.723 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.094 13.246 0.560 1.00 0.00 H new ATOM 0 HE2 HIS A 9 7.992 15.526 1.123 1.00 0.00 H new ATOM 110 N HIS A 10 5.576 11.775 7.157 1.00 0.00 N ATOM 111 CA HIS A 10 5.359 10.739 8.153 1.00 0.00 C ATOM 112 C HIS A 10 6.233 9.525 7.828 1.00 0.00 C ATOM 113 O HIS A 10 5.720 8.465 7.471 1.00 0.00 O ATOM 114 CB HIS A 10 3.874 10.390 8.258 1.00 0.00 C ATOM 115 CG HIS A 10 3.037 11.460 8.916 1.00 0.00 C ATOM 116 ND1 HIS A 10 1.867 11.947 8.357 1.00 0.00 N ATOM 117 CD2 HIS A 10 3.209 12.130 10.091 1.00 0.00 C ATOM 118 CE1 HIS A 10 1.370 12.870 9.167 1.00 0.00 C ATOM 119 NE2 HIS A 10 2.203 12.982 10.241 1.00 0.00 N ATOM 0 H HIS A 10 5.868 12.676 7.536 1.00 0.00 H new ATOM 0 HA HIS A 10 5.656 11.105 9.136 1.00 0.00 H new ATOM 0 HB2 HIS A 10 3.484 10.202 7.258 1.00 0.00 H new ATOM 0 HB3 HIS A 10 3.768 9.463 8.821 1.00 0.00 H new ATOM 0 HD1 HIS A 10 1.458 11.646 7.472 1.00 0.00 H new ATOM 0 HD2 HIS A 10 4.026 11.991 10.783 1.00 0.00 H new ATOM 0 HE1 HIS A 10 0.464 13.435 9.005 1.00 0.00 H new ATOM 126 N ARG A 11 7.535 9.720 7.964 1.00 0.00 N ATOM 127 CA ARG A 11 8.485 8.655 7.690 1.00 0.00 C ATOM 128 C ARG A 11 8.479 8.309 6.199 1.00 0.00 C ATOM 129 O ARG A 11 8.990 7.264 5.799 1.00 0.00 O ATOM 130 CB ARG A 11 8.152 7.399 8.498 1.00 0.00 C ATOM 131 CG ARG A 11 9.236 7.113 9.539 1.00 0.00 C ATOM 132 CD ARG A 11 9.768 5.686 9.401 1.00 0.00 C ATOM 133 NE ARG A 11 10.310 5.219 10.696 1.00 0.00 N ATOM 134 CZ ARG A 11 11.540 5.505 11.143 1.00 0.00 C ATOM 135 NH1 ARG A 11 12.364 6.257 10.400 1.00 0.00 N ATOM 136 NH2 ARG A 11 11.947 5.038 12.331 1.00 0.00 N ATOM 0 H ARG A 11 7.956 10.601 8.261 1.00 0.00 H new ATOM 0 HA ARG A 11 9.474 9.010 7.981 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.190 7.526 8.995 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.053 6.546 7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.055 7.823 9.421 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.831 7.258 10.540 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.969 5.022 9.071 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.546 5.652 8.638 1.00 0.00 H new ATOM 0 HE ARG A 11 9.709 4.643 11.286 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.054 6.611 9.495 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.301 6.475 10.740 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.320 4.464 12.895 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.884 5.256 12.671 1.00 0.00 H new ATOM 147 N LYS A 12 7.896 9.207 5.419 1.00 0.00 N ATOM 148 CA LYS A 12 7.818 9.011 3.982 1.00 0.00 C ATOM 149 C LYS A 12 6.856 7.860 3.680 1.00 0.00 C ATOM 150 O LYS A 12 7.254 6.695 3.690 1.00 0.00 O ATOM 151 CB LYS A 12 9.215 8.816 3.390 1.00 0.00 C ATOM 152 CG LYS A 12 9.140 8.526 1.889 1.00 0.00 C ATOM 153 CD LYS A 12 10.111 7.410 1.497 1.00 0.00 C ATOM 154 CE LYS A 12 11.097 7.892 0.431 1.00 0.00 C ATOM 155 NZ LYS A 12 11.800 6.742 -0.181 1.00 0.00 N ATOM 0 H LYS A 12 7.473 10.072 5.755 1.00 0.00 H new ATOM 0 HA LYS A 12 7.414 9.900 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.814 9.710 3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.717 7.993 3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.123 8.239 1.621 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.374 9.431 1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.658 7.073 2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.553 6.553 1.121 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.565 8.452 -0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.821 8.573 0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.536 7.090 -0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.239 6.166 0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.119 6.161 -0.711 1.00 0.00 H new ATOM 165 N TRP A 13 5.610 8.224 3.419 1.00 0.00 N ATOM 166 CA TRP A 13 4.589 7.236 3.116 1.00 0.00 C ATOM 167 C TRP A 13 5.161 6.268 2.078 1.00 0.00 C ATOM 168 O TRP A 13 4.860 5.076 2.104 1.00 0.00 O ATOM 169 CB TRP A 13 3.294 7.909 2.655 1.00 0.00 C ATOM 170 CG TRP A 13 2.879 7.549 1.227 1.00 0.00 C ATOM 171 CD1 TRP A 13 2.780 6.331 0.679 1.00 0.00 C ATOM 172 CD2 TRP A 13 2.510 8.472 0.181 1.00 0.00 C ATOM 173 NE1 TRP A 13 2.375 6.400 -0.639 1.00 0.00 N ATOM 174 CE2 TRP A 13 2.207 7.744 -0.951 1.00 0.00 C ATOM 175 CE3 TRP A 13 2.435 9.877 0.190 1.00 0.00 C ATOM 176 CZ2 TRP A 13 1.806 8.332 -2.157 1.00 0.00 C ATOM 177 CZ3 TRP A 13 2.035 10.450 -1.022 1.00 0.00 C ATOM 178 CH2 TRP A 13 1.725 9.731 -2.171 1.00 0.00 C ATOM 0 H TRP A 13 5.284 9.190 3.411 1.00 0.00 H new ATOM 0 HA TRP A 13 4.322 6.671 4.009 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.490 7.632 3.337 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.413 8.990 2.726 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.991 5.410 1.203 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.227 5.611 -1.268 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.668 10.467 1.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 1.572 7.739 -3.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.962 11.527 -1.068 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.423 10.248 -3.070 1.00 0.00 H new ATOM 188 N ASP A 14 5.976 6.817 1.190 1.00 0.00 N ATOM 189 CA ASP A 14 6.593 6.017 0.145 1.00 0.00 C ATOM 190 C ASP A 14 7.477 4.945 0.786 1.00 0.00 C ATOM 191 O ASP A 14 7.706 3.890 0.194 1.00 0.00 O ATOM 192 CB ASP A 14 7.476 6.879 -0.759 1.00 0.00 C ATOM 193 CG ASP A 14 8.168 6.125 -1.897 1.00 0.00 C ATOM 194 OD1 ASP A 14 9.192 5.470 -1.603 1.00 0.00 O ATOM 195 OD2 ASP A 14 7.657 6.219 -3.033 1.00 0.00 O ATOM 0 H ASP A 14 6.224 7.806 1.172 1.00 0.00 H new ATOM 0 HA ASP A 14 5.798 5.567 -0.450 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.865 7.673 -1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.238 7.360 -0.146 1.00 0.00 H new ATOM 199 N ILE A 15 7.948 5.250 1.985 1.00 0.00 N ATOM 200 CA ILE A 15 8.801 4.326 2.712 1.00 0.00 C ATOM 201 C ILE A 15 7.943 3.207 3.306 1.00 0.00 C ATOM 202 O ILE A 15 8.366 2.054 3.353 1.00 0.00 O ATOM 203 CB ILE A 15 9.642 5.073 3.748 1.00 0.00 C ATOM 204 CG1 ILE A 15 11.136 4.878 3.487 1.00 0.00 C ATOM 205 CG2 ILE A 15 9.250 4.666 5.170 1.00 0.00 C ATOM 206 CD1 ILE A 15 11.544 3.418 3.700 1.00 0.00 C ATOM 0 H ILE A 15 7.755 6.125 2.472 1.00 0.00 H new ATOM 0 HA ILE A 15 9.516 3.856 2.037 1.00 0.00 H new ATOM 0 HB ILE A 15 9.435 6.139 3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.373 5.181 2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.712 5.521 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.863 5.212 5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.199 4.900 5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.408 3.595 5.299 1.00 0.00 H new ATOM 0 HD11 ILE A 15 12.611 3.307 3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.328 3.126 4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.984 2.780 3.016 1.00 0.00 H new ATOM 217 N LEU A 16 6.753 3.588 3.747 1.00 0.00 N ATOM 218 CA LEU A 16 5.832 2.633 4.337 1.00 0.00 C ATOM 219 C LEU A 16 5.188 1.799 3.227 1.00 0.00 C ATOM 220 O LEU A 16 4.878 0.626 3.428 1.00 0.00 O ATOM 221 CB LEU A 16 4.820 3.348 5.235 1.00 0.00 C ATOM 222 CG LEU A 16 4.536 2.686 6.585 1.00 0.00 C ATOM 223 CD1 LEU A 16 4.865 1.192 6.544 1.00 0.00 C ATOM 224 CD2 LEU A 16 5.276 3.404 7.714 1.00 0.00 C ATOM 0 H LEU A 16 6.406 4.546 3.707 1.00 0.00 H new ATOM 0 HA LEU A 16 6.367 1.941 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.178 4.361 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.880 3.436 4.691 1.00 0.00 H new ATOM 0 HG LEU A 16 3.469 2.775 6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.654 0.746 7.516 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.256 0.706 5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.920 1.058 6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.057 2.913 8.662 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.349 3.368 7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.950 4.443 7.759 1.00 0.00 H new ATOM 235 N LEU A 17 5.006 2.439 2.082 1.00 0.00 N ATOM 236 CA LEU A 17 4.403 1.772 0.940 1.00 0.00 C ATOM 237 C LEU A 17 5.482 0.994 0.182 1.00 0.00 C ATOM 238 O LEU A 17 5.174 0.082 -0.582 1.00 0.00 O ATOM 239 CB LEU A 17 3.644 2.776 0.071 1.00 0.00 C ATOM 240 CG LEU A 17 3.083 2.234 -1.245 1.00 0.00 C ATOM 241 CD1 LEU A 17 2.004 1.180 -0.988 1.00 0.00 C ATOM 242 CD2 LEU A 17 2.572 3.371 -2.133 1.00 0.00 C ATOM 0 H LEU A 17 5.265 3.412 1.920 1.00 0.00 H new ATOM 0 HA LEU A 17 3.659 1.047 1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.818 3.181 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.311 3.607 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 17 3.893 1.742 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.622 0.811 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.432 0.352 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.189 1.625 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.179 2.958 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.781 3.912 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.392 4.054 -2.358 1.00 0.00 H new ATOM 253 N GLU A 18 6.726 1.386 0.420 1.00 0.00 N ATOM 254 CA GLU A 18 7.851 0.738 -0.230 1.00 0.00 C ATOM 255 C GLU A 18 8.435 -0.348 0.675 1.00 0.00 C ATOM 256 O GLU A 18 9.149 -1.233 0.209 1.00 0.00 O ATOM 257 CB GLU A 18 8.921 1.759 -0.621 1.00 0.00 C ATOM 258 CG GLU A 18 10.135 1.071 -1.249 1.00 0.00 C ATOM 259 CD GLU A 18 11.309 1.028 -0.270 1.00 0.00 C ATOM 260 OE1 GLU A 18 11.425 1.990 0.520 1.00 0.00 O ATOM 261 OE2 GLU A 18 12.065 0.034 -0.333 1.00 0.00 O ATOM 0 H GLU A 18 6.978 2.144 1.054 1.00 0.00 H new ATOM 0 HA GLU A 18 7.493 0.267 -1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.502 2.478 -1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.232 2.320 0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.869 0.057 -1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.431 1.602 -2.154 1.00 0.00 H new ATOM 266 N LYS A 19 8.108 -0.244 1.955 1.00 0.00 N ATOM 267 CA LYS A 19 8.591 -1.207 2.931 1.00 0.00 C ATOM 268 C LYS A 19 7.570 -2.338 3.074 1.00 0.00 C ATOM 269 O LYS A 19 7.942 -3.489 3.293 1.00 0.00 O ATOM 270 CB LYS A 19 8.924 -0.509 4.252 1.00 0.00 C ATOM 271 CG LYS A 19 10.269 0.215 4.164 1.00 0.00 C ATOM 272 CD LYS A 19 11.277 -0.381 5.151 1.00 0.00 C ATOM 273 CE LYS A 19 11.527 0.571 6.321 1.00 0.00 C ATOM 274 NZ LYS A 19 10.245 0.971 6.947 1.00 0.00 N ATOM 0 H LYS A 19 7.515 0.492 2.339 1.00 0.00 H new ATOM 0 HA LYS A 19 9.523 -1.659 2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.138 0.205 4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.953 -1.242 5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.660 0.141 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.130 1.275 4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.904 -1.334 5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.216 -0.586 4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.165 0.088 7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.059 1.455 5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.403 1.194 7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.868 1.810 6.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.562 0.190 6.869 1.00 0.00 H new ATOM 284 N SER A 20 6.304 -1.970 2.943 1.00 0.00 N ATOM 285 CA SER A 20 5.228 -2.938 3.054 1.00 0.00 C ATOM 286 C SER A 20 4.851 -3.465 1.668 1.00 0.00 C ATOM 287 O SER A 20 5.146 -4.611 1.335 1.00 0.00 O ATOM 288 CB SER A 20 4.004 -2.327 3.740 1.00 0.00 C ATOM 289 OG SER A 20 2.937 -3.263 3.863 1.00 0.00 O ATOM 0 H SER A 20 6.000 -1.014 2.761 1.00 0.00 H new ATOM 0 HA SER A 20 5.579 -3.768 3.668 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.286 -1.966 4.729 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.664 -1.462 3.171 1.00 0.00 H new ATOM 0 HG SER A 20 2.852 -3.541 4.799 1.00 0.00 H new ATOM 294 N THR A 21 4.207 -2.601 0.898 1.00 0.00 N ATOM 295 CA THR A 21 3.788 -2.965 -0.446 1.00 0.00 C ATOM 296 C THR A 21 4.935 -2.760 -1.436 1.00 0.00 C ATOM 297 O THR A 21 4.703 -2.574 -2.630 1.00 0.00 O ATOM 298 CB THR A 21 2.538 -2.151 -0.787 1.00 0.00 C ATOM 299 OG1 THR A 21 1.564 -2.599 0.151 1.00 0.00 O ATOM 300 CG2 THR A 21 1.946 -2.529 -2.147 1.00 0.00 C ATOM 0 H THR A 21 3.965 -1.651 1.178 1.00 0.00 H new ATOM 0 HA THR A 21 3.532 -4.023 -0.508 1.00 0.00 H new ATOM 0 HB THR A 21 2.784 -1.089 -0.780 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.939 -1.870 0.347 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.061 -1.922 -2.340 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.685 -2.351 -2.928 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.669 -3.583 -2.143 1.00 0.00 H new ATOM 308 N GLY A 22 6.147 -2.800 -0.904 1.00 0.00 N ATOM 309 CA GLY A 22 7.332 -2.621 -1.728 1.00 0.00 C ATOM 310 C GLY A 22 8.351 -3.734 -1.472 1.00 0.00 C ATOM 311 O GLY A 22 9.378 -3.807 -2.145 1.00 0.00 O ATOM 0 H GLY A 22 6.335 -2.954 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.050 -2.616 -2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.785 -1.653 -1.515 1.00 0.00 H new ATOM 315 N VAL A 23 8.030 -4.574 -0.498 1.00 0.00 N ATOM 316 CA VAL A 23 8.904 -5.680 -0.145 1.00 0.00 C ATOM 317 C VAL A 23 8.134 -6.995 -0.280 1.00 0.00 C ATOM 318 O VAL A 23 8.673 -7.987 -0.767 1.00 0.00 O ATOM 319 CB VAL A 23 9.481 -5.464 1.255 1.00 0.00 C ATOM 320 CG1 VAL A 23 10.688 -6.373 1.495 1.00 0.00 C ATOM 321 CG2 VAL A 23 9.847 -3.995 1.477 1.00 0.00 C ATOM 0 H VAL A 23 7.177 -4.511 0.057 1.00 0.00 H new ATOM 0 HA VAL A 23 9.753 -5.730 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 23 8.712 -5.730 1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 23 11.080 -6.200 2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 23 10.383 -7.415 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.462 -6.152 0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 23 10.255 -3.869 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 23 10.592 -3.690 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.956 -3.377 1.368 1.00 0.00 H new ATOM 331 N MET A 24 6.886 -6.961 0.163 1.00 0.00 N ATOM 332 CA MET A 24 6.036 -8.138 0.098 1.00 0.00 C ATOM 333 C MET A 24 6.469 -9.184 1.127 1.00 0.00 C ATOM 334 O MET A 24 6.311 -10.382 0.903 1.00 0.00 O ATOM 335 CB MET A 24 6.105 -8.742 -1.305 1.00 0.00 C ATOM 336 CG MET A 24 4.743 -8.679 -1.998 1.00 0.00 C ATOM 337 SD MET A 24 4.629 -7.196 -2.985 1.00 0.00 S ATOM 338 CE MET A 24 4.876 -5.961 -1.720 1.00 0.00 C ATOM 0 H MET A 24 6.443 -6.137 0.569 1.00 0.00 H new ATOM 0 HA MET A 24 5.013 -7.837 0.322 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.844 -8.205 -1.900 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.437 -9.778 -1.242 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.606 -9.557 -2.629 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.946 -8.693 -1.254 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.415 -5.024 -2.031 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.420 -6.298 -0.789 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.944 -5.806 -1.566 1.00 0.00 H new ATOM 346 N GLU A 25 7.010 -8.692 2.232 1.00 0.00 N ATOM 347 CA GLU A 25 7.468 -9.569 3.296 1.00 0.00 C ATOM 348 C GLU A 25 8.004 -8.745 4.469 1.00 0.00 C ATOM 349 O GLU A 25 7.846 -9.131 5.626 1.00 0.00 O ATOM 350 CB GLU A 25 8.527 -10.546 2.782 1.00 0.00 C ATOM 351 CG GLU A 25 9.398 -11.063 3.929 1.00 0.00 C ATOM 352 CD GLU A 25 10.343 -12.164 3.447 1.00 0.00 C ATOM 353 OE1 GLU A 25 11.384 -11.800 2.856 1.00 0.00 O ATOM 354 OE2 GLU A 25 10.006 -13.345 3.679 1.00 0.00 O ATOM 0 H GLU A 25 7.141 -7.697 2.413 1.00 0.00 H new ATOM 0 HA GLU A 25 6.620 -10.156 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.042 -11.385 2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.153 -10.052 2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.977 -10.241 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.763 -11.448 4.727 1.00 0.00 H new ATOM 359 N ALA A 26 8.626 -7.627 4.130 1.00 0.00 N ATOM 360 CA ALA A 26 9.187 -6.746 5.141 1.00 0.00 C ATOM 361 C ALA A 26 8.054 -6.172 5.995 1.00 0.00 C ATOM 362 O ALA A 26 8.272 -5.788 7.143 1.00 0.00 O ATOM 363 CB ALA A 26 10.016 -5.653 4.463 1.00 0.00 C ATOM 0 H ALA A 26 8.755 -7.310 3.169 1.00 0.00 H new ATOM 0 HA ALA A 26 9.854 -7.297 5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.437 -4.992 5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.824 -6.111 3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.379 -5.076 3.792 1.00 0.00 H new ATOM 369 N MET A 27 6.870 -6.132 5.402 1.00 0.00 N ATOM 370 CA MET A 27 5.703 -5.612 6.095 1.00 0.00 C ATOM 371 C MET A 27 4.415 -6.182 5.501 1.00 0.00 C ATOM 372 O MET A 27 3.327 -5.667 5.757 1.00 0.00 O ATOM 373 CB MET A 27 5.684 -4.085 5.987 1.00 0.00 C ATOM 374 CG MET A 27 5.739 -3.438 7.372 1.00 0.00 C ATOM 375 SD MET A 27 4.470 -4.128 8.420 1.00 0.00 S ATOM 376 CE MET A 27 5.476 -5.117 9.514 1.00 0.00 C ATOM 0 H MET A 27 6.693 -6.451 4.449 1.00 0.00 H new ATOM 0 HA MET A 27 5.761 -5.910 7.142 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.532 -3.748 5.390 1.00 0.00 H new ATOM 0 HB3 MET A 27 4.781 -3.765 5.467 1.00 0.00 H new ATOM 0 HG2 MET A 27 6.720 -3.600 7.819 1.00 0.00 H new ATOM 0 HG3 MET A 27 5.603 -2.360 7.284 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.280 -6.174 9.333 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.529 -4.907 9.329 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.234 -4.875 10.549 1.00 0.00 H new ATOM 384 N LYS A 28 4.577 -7.239 4.719 1.00 0.00 N ATOM 385 CA LYS A 28 3.439 -7.885 4.087 1.00 0.00 C ATOM 386 C LYS A 28 3.219 -9.257 4.725 1.00 0.00 C ATOM 387 O LYS A 28 2.151 -9.852 4.575 1.00 0.00 O ATOM 388 CB LYS A 28 3.627 -7.935 2.569 1.00 0.00 C ATOM 389 CG LYS A 28 3.087 -6.666 1.907 1.00 0.00 C ATOM 390 CD LYS A 28 1.738 -6.929 1.237 1.00 0.00 C ATOM 391 CE LYS A 28 0.925 -5.638 1.115 1.00 0.00 C ATOM 392 NZ LYS A 28 -0.205 -5.644 2.069 1.00 0.00 N ATOM 0 H LYS A 28 5.480 -7.665 4.508 1.00 0.00 H new ATOM 0 HA LYS A 28 2.530 -7.306 4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.685 -8.050 2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.114 -8.807 2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.979 -5.880 2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.801 -6.306 1.166 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.897 -7.358 0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.177 -7.663 1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.566 -4.778 1.308 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.549 -5.533 0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.875 -4.889 1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.688 -6.564 2.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.153 -5.483 3.032 1.00 0.00 H new ATOM 402 N VAL A 29 4.244 -9.722 5.424 1.00 0.00 N ATOM 403 CA VAL A 29 4.175 -11.014 6.085 1.00 0.00 C ATOM 404 C VAL A 29 3.849 -10.807 7.565 1.00 0.00 C ATOM 405 O VAL A 29 4.480 -11.408 8.433 1.00 0.00 O ATOM 406 CB VAL A 29 5.478 -11.787 5.862 1.00 0.00 C ATOM 407 CG1 VAL A 29 5.538 -13.027 6.756 1.00 0.00 C ATOM 408 CG2 VAL A 29 5.647 -12.162 4.389 1.00 0.00 C ATOM 0 H VAL A 29 5.127 -9.227 5.547 1.00 0.00 H new ATOM 0 HA VAL A 29 3.376 -11.620 5.657 1.00 0.00 H new ATOM 0 HB VAL A 29 6.307 -11.135 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.473 -13.559 6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.485 -12.724 7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.698 -13.683 6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.580 -12.710 4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.811 -12.787 4.075 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.670 -11.256 3.783 1.00 0.00 H new ATOM 418 N THR A 30 2.863 -9.956 7.807 1.00 0.00 N ATOM 419 CA THR A 30 2.445 -9.663 9.168 1.00 0.00 C ATOM 420 C THR A 30 0.922 -9.744 9.287 1.00 0.00 C ATOM 421 O THR A 30 0.251 -8.724 9.432 1.00 0.00 O ATOM 422 CB THR A 30 3.011 -8.294 9.552 1.00 0.00 C ATOM 423 OG1 THR A 30 2.440 -8.028 10.830 1.00 0.00 O ATOM 424 CG2 THR A 30 2.477 -7.169 8.663 1.00 0.00 C ATOM 0 H THR A 30 2.341 -9.460 7.084 1.00 0.00 H new ATOM 0 HA THR A 30 2.835 -10.401 9.869 1.00 0.00 H new ATOM 0 HB THR A 30 4.099 -8.321 9.489 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.493 -7.799 10.724 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.910 -6.220 8.978 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.748 -7.365 7.626 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.392 -7.120 8.751 1.00 0.00 H new ATOM 432 N SER A 31 0.420 -10.969 9.222 1.00 0.00 N ATOM 433 CA SER A 31 -1.012 -11.199 9.320 1.00 0.00 C ATOM 434 C SER A 31 -1.746 -10.387 8.252 1.00 0.00 C ATOM 435 O SER A 31 -1.922 -9.178 8.396 1.00 0.00 O ATOM 436 CB SER A 31 -1.532 -10.836 10.712 1.00 0.00 C ATOM 437 OG SER A 31 -1.535 -11.959 11.590 1.00 0.00 O ATOM 0 H SER A 31 0.980 -11.813 9.103 1.00 0.00 H new ATOM 0 HA SER A 31 -1.201 -12.260 9.155 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.912 -10.046 11.136 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.543 -10.438 10.629 1.00 0.00 H new ATOM 0 HG SER A 31 -1.872 -11.686 12.469 1.00 0.00 H new ATOM 442 N GLU A 32 -2.156 -11.084 7.202 1.00 0.00 N ATOM 443 CA GLU A 32 -2.867 -10.444 6.109 1.00 0.00 C ATOM 444 C GLU A 32 -3.573 -9.180 6.604 1.00 0.00 C ATOM 445 O GLU A 32 -3.142 -8.066 6.308 1.00 0.00 O ATOM 446 CB GLU A 32 -3.861 -11.409 5.462 1.00 0.00 C ATOM 447 CG GLU A 32 -4.311 -12.482 6.456 1.00 0.00 C ATOM 448 CD GLU A 32 -3.521 -13.778 6.260 1.00 0.00 C ATOM 449 OE1 GLU A 32 -2.336 -13.785 6.657 1.00 0.00 O ATOM 450 OE2 GLU A 32 -4.120 -14.730 5.717 1.00 0.00 O ATOM 0 H GLU A 32 -2.009 -12.087 7.085 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.142 -10.158 5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.728 -10.856 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.402 -11.882 4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.174 -12.119 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.376 -12.678 6.328 1.00 0.00 H new ATOM 455 N GLU A 33 -4.648 -9.395 7.348 1.00 0.00 N ATOM 456 CA GLU A 33 -5.418 -8.286 7.887 1.00 0.00 C ATOM 457 C GLU A 33 -4.486 -7.239 8.499 1.00 0.00 C ATOM 458 O GLU A 33 -4.757 -6.042 8.424 1.00 0.00 O ATOM 459 CB GLU A 33 -6.440 -8.777 8.915 1.00 0.00 C ATOM 460 CG GLU A 33 -7.797 -9.038 8.258 1.00 0.00 C ATOM 461 CD GLU A 33 -8.665 -9.944 9.133 1.00 0.00 C ATOM 462 OE1 GLU A 33 -8.198 -11.065 9.429 1.00 0.00 O ATOM 463 OE2 GLU A 33 -9.777 -9.494 9.487 1.00 0.00 O ATOM 0 H GLU A 33 -5.004 -10.320 7.590 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.968 -7.820 7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.078 -9.691 9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.551 -8.035 9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.310 -8.092 8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.650 -9.501 7.283 1.00 0.00 H new ATOM 468 N LYS A 34 -3.406 -7.728 9.091 1.00 0.00 N ATOM 469 CA LYS A 34 -2.431 -6.849 9.714 1.00 0.00 C ATOM 470 C LYS A 34 -1.383 -6.440 8.679 1.00 0.00 C ATOM 471 O LYS A 34 -0.748 -5.394 8.812 1.00 0.00 O ATOM 472 CB LYS A 34 -1.838 -7.507 10.962 1.00 0.00 C ATOM 473 CG LYS A 34 -2.289 -6.781 12.231 1.00 0.00 C ATOM 474 CD LYS A 34 -1.885 -7.561 13.483 1.00 0.00 C ATOM 475 CE LYS A 34 -2.881 -7.329 14.620 1.00 0.00 C ATOM 476 NZ LYS A 34 -3.002 -8.542 15.461 1.00 0.00 N ATOM 0 H LYS A 34 -3.185 -8.722 9.152 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.911 -5.934 10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.145 -8.552 11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.750 -7.497 10.900 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.847 -5.785 12.261 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.371 -6.649 12.214 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.833 -8.625 13.252 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.888 -7.255 13.800 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.555 -6.487 15.231 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.856 -7.066 14.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.682 -8.366 16.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.335 -9.337 14.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.074 -8.776 15.868 1.00 0.00 H new ATOM 486 N GLU A 35 -1.233 -7.285 7.669 1.00 0.00 N ATOM 487 CA GLU A 35 -0.272 -7.025 6.611 1.00 0.00 C ATOM 488 C GLU A 35 -0.583 -5.690 5.929 1.00 0.00 C ATOM 489 O GLU A 35 0.268 -5.128 5.242 1.00 0.00 O ATOM 490 CB GLU A 35 -0.252 -8.168 5.594 1.00 0.00 C ATOM 491 CG GLU A 35 -0.293 -7.630 4.163 1.00 0.00 C ATOM 492 CD GLU A 35 -0.425 -8.771 3.152 1.00 0.00 C ATOM 493 OE1 GLU A 35 0.009 -9.891 3.499 1.00 0.00 O ATOM 494 OE2 GLU A 35 -0.958 -8.498 2.055 1.00 0.00 O ATOM 0 H GLU A 35 -1.762 -8.151 7.561 1.00 0.00 H new ATOM 0 HA GLU A 35 0.721 -6.962 7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.647 -8.769 5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.105 -8.825 5.764 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.132 -6.943 4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.614 -7.061 3.958 1.00 0.00 H new ATOM 499 N GLN A 36 -1.803 -5.223 6.143 1.00 0.00 N ATOM 500 CA GLN A 36 -2.237 -3.966 5.559 1.00 0.00 C ATOM 501 C GLN A 36 -2.667 -2.989 6.656 1.00 0.00 C ATOM 502 O GLN A 36 -2.448 -1.784 6.540 1.00 0.00 O ATOM 503 CB GLN A 36 -3.366 -4.190 4.551 1.00 0.00 C ATOM 504 CG GLN A 36 -3.693 -2.900 3.796 1.00 0.00 C ATOM 505 CD GLN A 36 -2.807 -2.752 2.556 1.00 0.00 C ATOM 506 OE1 GLN A 36 -1.625 -2.465 2.637 1.00 0.00 O ATOM 507 NE2 GLN A 36 -3.445 -2.964 1.408 1.00 0.00 N ATOM 0 H GLN A 36 -2.506 -5.693 6.714 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.395 -3.529 5.021 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.077 -4.966 3.843 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.256 -4.547 5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.742 -2.903 3.500 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.550 -2.043 4.454 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.437 -3.201 1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.942 -2.889 0.524 1.00 0.00 H new ATOM 514 N LEU A 37 -3.270 -3.546 7.695 1.00 0.00 N ATOM 515 CA LEU A 37 -3.733 -2.741 8.812 1.00 0.00 C ATOM 516 C LEU A 37 -2.525 -2.199 9.579 1.00 0.00 C ATOM 517 O LEU A 37 -2.306 -0.990 9.626 1.00 0.00 O ATOM 518 CB LEU A 37 -4.706 -3.538 9.681 1.00 0.00 C ATOM 519 CG LEU A 37 -6.175 -3.495 9.256 1.00 0.00 C ATOM 520 CD1 LEU A 37 -6.367 -4.137 7.881 1.00 0.00 C ATOM 521 CD2 LEU A 37 -7.072 -4.135 10.318 1.00 0.00 C ATOM 0 H LEU A 37 -3.449 -4.546 7.787 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.296 -1.880 8.453 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.382 -4.579 9.693 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.634 -3.170 10.704 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.475 -2.451 9.168 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.420 -4.093 7.603 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.774 -3.598 7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.044 -5.177 7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.111 -4.091 9.991 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.780 -5.175 10.462 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.965 -3.595 11.259 1.00 0.00 H new ATOM 532 N SER A 38 -1.772 -3.121 10.162 1.00 0.00 N ATOM 533 CA SER A 38 -0.593 -2.751 10.925 1.00 0.00 C ATOM 534 C SER A 38 0.450 -2.116 10.002 1.00 0.00 C ATOM 535 O SER A 38 1.309 -1.363 10.456 1.00 0.00 O ATOM 536 CB SER A 38 0.002 -3.965 11.643 1.00 0.00 C ATOM 537 OG SER A 38 -0.251 -3.934 13.045 1.00 0.00 O ATOM 0 H SER A 38 -1.956 -4.123 10.121 1.00 0.00 H new ATOM 0 HA SER A 38 -0.889 -2.025 11.682 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.417 -4.878 11.219 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.078 -3.997 11.470 1.00 0.00 H new ATOM 0 HG SER A 38 0.143 -4.726 13.466 1.00 0.00 H new ATOM 542 N THR A 39 0.339 -2.445 8.723 1.00 0.00 N ATOM 543 CA THR A 39 1.262 -1.917 7.733 1.00 0.00 C ATOM 544 C THR A 39 0.850 -0.502 7.322 1.00 0.00 C ATOM 545 O THR A 39 1.657 0.251 6.779 1.00 0.00 O ATOM 546 CB THR A 39 1.310 -2.899 6.561 1.00 0.00 C ATOM 547 OG1 THR A 39 2.696 -2.998 6.248 1.00 0.00 O ATOM 548 CG2 THR A 39 0.680 -2.327 5.290 1.00 0.00 C ATOM 0 H THR A 39 -0.376 -3.070 8.350 1.00 0.00 H new ATOM 0 HA THR A 39 2.269 -1.824 8.140 1.00 0.00 H new ATOM 0 HB THR A 39 0.795 -3.819 6.838 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.178 -3.373 7.014 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.741 -3.065 4.490 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.365 -2.083 5.480 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.215 -1.425 4.993 1.00 0.00 H new ATOM 556 N ALA A 40 -0.406 -0.182 7.597 1.00 0.00 N ATOM 557 CA ALA A 40 -0.935 1.130 7.263 1.00 0.00 C ATOM 558 C ALA A 40 -1.450 1.806 8.535 1.00 0.00 C ATOM 559 O ALA A 40 -2.039 2.885 8.474 1.00 0.00 O ATOM 560 CB ALA A 40 -2.023 0.986 6.197 1.00 0.00 C ATOM 0 H ALA A 40 -1.073 -0.809 8.047 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.153 1.765 6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.420 1.970 5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.599 0.528 5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.827 0.358 6.580 1.00 0.00 H new ATOM 566 N ILE A 41 -1.211 1.145 9.658 1.00 0.00 N ATOM 567 CA ILE A 41 -1.644 1.668 10.942 1.00 0.00 C ATOM 568 C ILE A 41 -0.421 2.125 11.740 1.00 0.00 C ATOM 569 O ILE A 41 -0.437 3.194 12.348 1.00 0.00 O ATOM 570 CB ILE A 41 -2.507 0.640 11.676 1.00 0.00 C ATOM 571 CG1 ILE A 41 -3.889 0.523 11.029 1.00 0.00 C ATOM 572 CG2 ILE A 41 -2.599 0.967 13.167 1.00 0.00 C ATOM 573 CD1 ILE A 41 -4.608 -0.744 11.497 1.00 0.00 C ATOM 0 H ILE A 41 -0.722 0.251 9.705 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.280 2.542 10.802 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.027 -0.334 11.589 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.487 1.399 11.280 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.786 0.507 9.944 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.218 0.221 13.666 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.600 0.960 13.603 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.045 1.953 13.296 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.587 -0.803 11.022 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.019 -1.619 11.223 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.731 -0.714 12.580 1.00 0.00 H new ATOM 584 N ASP A 42 0.610 1.294 11.711 1.00 0.00 N ATOM 585 CA ASP A 42 1.838 1.599 12.424 1.00 0.00 C ATOM 586 C ASP A 42 1.947 3.113 12.620 1.00 0.00 C ATOM 587 O ASP A 42 1.917 3.600 13.749 1.00 0.00 O ATOM 588 CB ASP A 42 3.064 1.138 11.632 1.00 0.00 C ATOM 589 CG ASP A 42 4.348 0.999 12.452 1.00 0.00 C ATOM 590 OD1 ASP A 42 4.556 -0.106 12.999 1.00 0.00 O ATOM 591 OD2 ASP A 42 5.094 2.001 12.514 1.00 0.00 O ATOM 0 H ASP A 42 0.620 0.409 11.204 1.00 0.00 H new ATOM 0 HA ASP A 42 1.809 1.079 13.382 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.839 0.176 11.171 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.242 1.846 10.823 1.00 0.00 H new ATOM 595 N ARG A 43 2.068 3.815 11.503 1.00 0.00 N ATOM 596 CA ARG A 43 2.180 5.263 11.539 1.00 0.00 C ATOM 597 C ARG A 43 1.318 5.889 10.440 1.00 0.00 C ATOM 598 O ARG A 43 1.170 7.109 10.382 1.00 0.00 O ATOM 599 CB ARG A 43 3.632 5.708 11.354 1.00 0.00 C ATOM 600 CG ARG A 43 4.382 5.701 12.687 1.00 0.00 C ATOM 601 CD ARG A 43 3.903 6.838 13.592 1.00 0.00 C ATOM 602 NE ARG A 43 4.927 7.906 13.647 1.00 0.00 N ATOM 603 CZ ARG A 43 4.795 9.037 14.353 1.00 0.00 C ATOM 604 NH1 ARG A 43 3.682 9.255 15.068 1.00 0.00 N ATOM 605 NH2 ARG A 43 5.775 9.950 14.344 1.00 0.00 N ATOM 0 H ARG A 43 2.091 3.408 10.568 1.00 0.00 H new ATOM 0 HA ARG A 43 1.831 5.599 12.516 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.132 5.045 10.648 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.657 6.709 10.924 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.231 4.745 13.188 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.452 5.801 12.507 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.963 7.242 13.215 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.707 6.458 14.595 1.00 0.00 H new ATOM 0 HE ARG A 43 5.786 7.772 13.114 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.936 8.560 15.075 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.582 10.116 15.605 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.622 9.784 13.800 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.675 10.811 14.881 1.00 0.00 H new ATOM 616 N MET A 44 0.774 5.026 9.595 1.00 0.00 N ATOM 617 CA MET A 44 -0.069 5.479 8.502 1.00 0.00 C ATOM 618 C MET A 44 -1.470 5.836 9.002 1.00 0.00 C ATOM 619 O MET A 44 -2.215 6.540 8.321 1.00 0.00 O ATOM 620 CB MET A 44 -0.169 4.377 7.445 1.00 0.00 C ATOM 621 CG MET A 44 0.760 4.665 6.264 1.00 0.00 C ATOM 622 SD MET A 44 2.386 5.102 6.859 1.00 0.00 S ATOM 623 CE MET A 44 2.706 6.543 5.856 1.00 0.00 C ATOM 0 H MET A 44 0.901 4.015 9.645 1.00 0.00 H new ATOM 0 HA MET A 44 0.379 6.372 8.067 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.090 3.416 7.890 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.197 4.298 7.093 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.823 3.789 5.618 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.354 5.477 5.661 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.764 6.798 5.913 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.439 6.332 4.820 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.111 7.380 6.221 1.00 0.00 H new ATOM 631 N ASN A 45 -1.788 5.334 10.186 1.00 0.00 N ATOM 632 CA ASN A 45 -3.087 5.591 10.785 1.00 0.00 C ATOM 633 C ASN A 45 -3.414 7.081 10.662 1.00 0.00 C ATOM 634 O ASN A 45 -4.206 7.478 9.809 1.00 0.00 O ATOM 635 CB ASN A 45 -3.091 5.227 12.270 1.00 0.00 C ATOM 636 CG ASN A 45 -4.151 4.167 12.572 1.00 0.00 C ATOM 637 OD1 ASN A 45 -3.923 3.212 13.296 1.00 0.00 O ATOM 638 ND2 ASN A 45 -5.321 4.388 11.980 1.00 0.00 N ATOM 0 H ASN A 45 -1.168 4.750 10.747 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.825 4.982 10.263 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.108 4.856 12.560 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.283 6.119 12.866 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.094 3.738 12.120 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.445 5.208 11.386 1.00 0.00 H new ATOM 644 N GLU A 46 -2.787 7.865 11.526 1.00 0.00 N ATOM 645 CA GLU A 46 -3.002 9.302 11.526 1.00 0.00 C ATOM 646 C GLU A 46 -2.024 9.984 10.567 1.00 0.00 C ATOM 647 O GLU A 46 -2.280 11.090 10.096 1.00 0.00 O ATOM 648 CB GLU A 46 -2.876 9.875 12.938 1.00 0.00 C ATOM 649 CG GLU A 46 -3.762 11.110 13.109 1.00 0.00 C ATOM 650 CD GLU A 46 -3.624 11.694 14.517 1.00 0.00 C ATOM 651 OE1 GLU A 46 -4.265 11.128 15.430 1.00 0.00 O ATOM 652 OE2 GLU A 46 -2.883 12.691 14.649 1.00 0.00 O ATOM 0 H GLU A 46 -2.130 7.532 12.231 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.017 9.499 11.180 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.158 9.117 13.669 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.837 10.138 13.136 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.488 11.863 12.371 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.802 10.844 12.922 1.00 0.00 H new ATOM 657 N GLY A 47 -0.922 9.294 10.307 1.00 0.00 N ATOM 658 CA GLY A 47 0.096 9.821 9.413 1.00 0.00 C ATOM 659 C GLY A 47 -0.378 9.781 7.958 1.00 0.00 C ATOM 660 O GLY A 47 -0.206 10.748 7.220 1.00 0.00 O ATOM 0 H GLY A 47 -0.712 8.376 10.699 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.335 10.847 9.693 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.012 9.240 9.517 1.00 0.00 H new ATOM 664 N LEU A 48 -0.965 8.651 7.592 1.00 0.00 N ATOM 665 CA LEU A 48 -1.465 8.473 6.239 1.00 0.00 C ATOM 666 C LEU A 48 -2.671 9.389 6.021 1.00 0.00 C ATOM 667 O LEU A 48 -2.718 10.136 5.045 1.00 0.00 O ATOM 668 CB LEU A 48 -1.757 6.995 5.967 1.00 0.00 C ATOM 669 CG LEU A 48 -1.538 6.523 4.527 1.00 0.00 C ATOM 670 CD1 LEU A 48 -1.842 5.030 4.389 1.00 0.00 C ATOM 671 CD2 LEU A 48 -2.351 7.367 3.544 1.00 0.00 C ATOM 0 H LEU A 48 -1.106 7.850 8.208 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.708 8.764 5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.130 6.394 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.792 6.793 6.241 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.486 6.663 4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.679 4.719 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.184 4.462 5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.880 4.843 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.177 7.011 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.411 7.282 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.044 8.410 3.620 1.00 0.00 H new ATOM 682 N ASP A 49 -3.616 9.301 6.945 1.00 0.00 N ATOM 683 CA ASP A 49 -4.819 10.113 6.866 1.00 0.00 C ATOM 684 C ASP A 49 -4.426 11.589 6.776 1.00 0.00 C ATOM 685 O ASP A 49 -5.094 12.372 6.102 1.00 0.00 O ATOM 686 CB ASP A 49 -5.689 9.929 8.110 1.00 0.00 C ATOM 687 CG ASP A 49 -6.586 8.690 8.095 1.00 0.00 C ATOM 688 OD1 ASP A 49 -6.805 8.162 6.984 1.00 0.00 O ATOM 689 OD2 ASP A 49 -7.031 8.298 9.196 1.00 0.00 O ATOM 0 H ASP A 49 -3.573 8.680 7.753 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.380 9.802 5.985 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.040 9.878 8.984 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.317 10.812 8.230 1.00 0.00 H new ATOM 693 N ALA A 50 -3.345 11.924 7.463 1.00 0.00 N ATOM 694 CA ALA A 50 -2.857 13.293 7.470 1.00 0.00 C ATOM 695 C ALA A 50 -2.184 13.595 6.129 1.00 0.00 C ATOM 696 O ALA A 50 -2.731 14.332 5.309 1.00 0.00 O ATOM 697 CB ALA A 50 -1.910 13.492 8.654 1.00 0.00 C ATOM 0 H ALA A 50 -2.793 11.271 8.019 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.682 13.994 7.592 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.544 14.519 8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.443 13.292 9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.067 12.807 8.565 1.00 0.00 H new ATOM 703 N PHE A 51 -1.008 13.012 5.948 1.00 0.00 N ATOM 704 CA PHE A 51 -0.256 13.211 4.721 1.00 0.00 C ATOM 705 C PHE A 51 -1.156 13.050 3.494 1.00 0.00 C ATOM 706 O PHE A 51 -1.181 13.916 2.621 1.00 0.00 O ATOM 707 CB PHE A 51 0.833 12.137 4.685 1.00 0.00 C ATOM 708 CG PHE A 51 0.642 11.095 3.581 1.00 0.00 C ATOM 709 CD1 PHE A 51 0.434 11.493 2.298 1.00 0.00 C ATOM 710 CD2 PHE A 51 0.681 9.769 3.883 1.00 0.00 C ATOM 711 CE1 PHE A 51 0.258 10.526 1.274 1.00 0.00 C ATOM 712 CE2 PHE A 51 0.505 8.802 2.859 1.00 0.00 C ATOM 713 CZ PHE A 51 0.297 9.201 1.575 1.00 0.00 C ATOM 0 H PHE A 51 -0.558 12.402 6.630 1.00 0.00 H new ATOM 0 HA PHE A 51 0.164 14.217 4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.801 12.620 4.551 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.860 11.629 5.649 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.403 12.545 2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.846 9.452 4.902 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.093 10.843 0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.536 7.749 3.099 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.163 8.466 0.796 1.00 0.00 H new ATOM 722 N ILE A 52 -1.870 11.935 3.466 1.00 0.00 N ATOM 723 CA ILE A 52 -2.769 11.649 2.361 1.00 0.00 C ATOM 724 C ILE A 52 -3.735 12.821 2.179 1.00 0.00 C ATOM 725 O ILE A 52 -4.014 13.231 1.053 1.00 0.00 O ATOM 726 CB ILE A 52 -3.467 10.303 2.571 1.00 0.00 C ATOM 727 CG1 ILE A 52 -3.820 9.653 1.231 1.00 0.00 C ATOM 728 CG2 ILE A 52 -4.692 10.456 3.475 1.00 0.00 C ATOM 729 CD1 ILE A 52 -4.770 8.471 1.430 1.00 0.00 C ATOM 0 H ILE A 52 -1.844 11.218 4.191 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.209 11.549 1.431 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.773 9.634 3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.283 10.390 0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.910 9.314 0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.170 9.485 3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.382 10.844 4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.398 11.148 3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.005 8.027 0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.294 7.725 2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.689 8.818 1.903 1.00 0.00 H new ATOM 740 N GLN A 53 -4.220 13.326 3.302 1.00 0.00 N ATOM 741 CA GLN A 53 -5.150 14.443 3.281 1.00 0.00 C ATOM 742 C GLN A 53 -4.397 15.756 3.058 1.00 0.00 C ATOM 743 O GLN A 53 -5.010 16.819 2.961 1.00 0.00 O ATOM 744 CB GLN A 53 -5.974 14.496 4.570 1.00 0.00 C ATOM 745 CG GLN A 53 -6.978 15.649 4.531 1.00 0.00 C ATOM 746 CD GLN A 53 -8.381 15.166 4.910 1.00 0.00 C ATOM 747 OE1 GLN A 53 -9.119 14.626 4.104 1.00 0.00 O ATOM 748 NE2 GLN A 53 -8.704 15.390 6.182 1.00 0.00 N ATOM 0 H GLN A 53 -3.987 12.983 4.234 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.843 14.298 2.452 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.503 13.553 4.707 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.310 14.616 5.426 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.662 16.435 5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.997 16.086 3.533 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.038 15.848 6.804 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.618 15.104 6.534 1.00 0.00 H new ATOM 755 N LEU A 54 -3.079 15.640 2.982 1.00 0.00 N ATOM 756 CA LEU A 54 -2.237 16.805 2.771 1.00 0.00 C ATOM 757 C LEU A 54 -1.594 16.720 1.385 1.00 0.00 C ATOM 758 O LEU A 54 -1.082 17.714 0.873 1.00 0.00 O ATOM 759 CB LEU A 54 -1.225 16.948 3.911 1.00 0.00 C ATOM 760 CG LEU A 54 -1.366 18.200 4.779 1.00 0.00 C ATOM 761 CD1 LEU A 54 -0.711 19.409 4.109 1.00 0.00 C ATOM 762 CD2 LEU A 54 -2.833 18.463 5.129 1.00 0.00 C ATOM 0 H LEU A 54 -2.574 14.757 3.063 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.835 17.716 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.307 16.072 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.222 16.937 3.484 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.838 18.026 5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.826 20.285 4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.349 19.209 3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.189 19.595 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.905 19.358 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.405 18.607 4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.235 17.611 5.677 1.00 0.00 H new ATOM 773 N TYR A 55 -1.641 15.524 0.819 1.00 0.00 N ATOM 774 CA TYR A 55 -1.069 15.295 -0.498 1.00 0.00 C ATOM 775 C TYR A 55 -2.129 14.783 -1.474 1.00 0.00 C ATOM 776 O TYR A 55 -2.545 15.505 -2.380 1.00 0.00 O ATOM 777 CB TYR A 55 0.000 14.217 -0.313 1.00 0.00 C ATOM 778 CG TYR A 55 1.433 14.727 -0.479 1.00 0.00 C ATOM 779 CD1 TYR A 55 1.768 15.497 -1.575 1.00 0.00 C ATOM 780 CD2 TYR A 55 2.391 14.415 0.464 1.00 0.00 C ATOM 781 CE1 TYR A 55 3.117 15.976 -1.732 1.00 0.00 C ATOM 782 CE2 TYR A 55 3.739 14.895 0.307 1.00 0.00 C ATOM 783 CZ TYR A 55 4.036 15.652 -0.783 1.00 0.00 C ATOM 784 OH TYR A 55 5.310 16.104 -0.932 1.00 0.00 O ATOM 0 H TYR A 55 -2.066 14.702 1.248 1.00 0.00 H new ATOM 0 HA TYR A 55 -0.662 16.221 -0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.107 13.781 0.680 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.176 13.418 -1.033 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.019 15.740 -2.314 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.129 13.811 1.320 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.393 16.579 -2.584 1.00 0.00 H new ATOM 0 HE2 TYR A 55 4.498 14.659 1.039 1.00 0.00 H new ATOM 0 HH TYR A 55 5.623 15.906 -1.839 1.00 0.00 H new ATOM 793 N ASN A 56 -2.537 13.541 -1.258 1.00 0.00 N ATOM 794 CA ASN A 56 -3.541 12.924 -2.108 1.00 0.00 C ATOM 795 C ASN A 56 -3.312 11.412 -2.144 1.00 0.00 C ATOM 796 O ASN A 56 -4.206 10.653 -2.516 1.00 0.00 O ATOM 797 CB ASN A 56 -3.449 13.451 -3.541 1.00 0.00 C ATOM 798 CG ASN A 56 -4.479 14.555 -3.786 1.00 0.00 C ATOM 799 OD1 ASN A 56 -4.159 15.659 -4.194 1.00 0.00 O ATOM 800 ND2 ASN A 56 -5.731 14.197 -3.514 1.00 0.00 N ATOM 0 H ASN A 56 -2.190 12.945 -0.506 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.523 13.163 -1.699 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.446 13.836 -3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.612 12.634 -4.244 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.492 14.864 -3.644 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.930 13.256 -3.175 1.00 0.00 H new ATOM 806 N GLU A 57 -2.108 11.019 -1.755 1.00 0.00 N ATOM 807 CA GLU A 57 -1.749 9.610 -1.739 1.00 0.00 C ATOM 808 C GLU A 57 -1.031 9.231 -3.036 1.00 0.00 C ATOM 809 O GLU A 57 -0.812 8.050 -3.305 1.00 0.00 O ATOM 810 CB GLU A 57 -2.984 8.733 -1.518 1.00 0.00 C ATOM 811 CG GLU A 57 -3.515 8.191 -2.846 1.00 0.00 C ATOM 812 CD GLU A 57 -5.021 7.928 -2.767 1.00 0.00 C ATOM 813 OE1 GLU A 57 -5.779 8.886 -3.033 1.00 0.00 O ATOM 814 OE2 GLU A 57 -5.380 6.775 -2.443 1.00 0.00 O ATOM 0 H GLU A 57 -1.368 11.651 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.067 9.437 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.732 7.904 -0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.762 9.312 -1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.308 8.905 -3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.994 7.268 -3.101 1.00 0.00 H new ATOM 819 N SER A 58 -0.686 10.252 -3.804 1.00 0.00 N ATOM 820 CA SER A 58 0.002 10.040 -5.067 1.00 0.00 C ATOM 821 C SER A 58 0.407 11.385 -5.674 1.00 0.00 C ATOM 822 O SER A 58 0.419 11.541 -6.894 1.00 0.00 O ATOM 823 CB SER A 58 -0.873 9.258 -6.047 1.00 0.00 C ATOM 824 OG SER A 58 -1.068 7.910 -5.630 1.00 0.00 O ATOM 0 H SER A 58 -0.870 11.229 -3.577 1.00 0.00 H new ATOM 0 HA SER A 58 0.898 9.451 -4.873 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.840 9.751 -6.143 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.411 9.269 -7.034 1.00 0.00 H new ATOM 0 HG SER A 58 -0.623 7.766 -4.769 1.00 0.00 H new ATOM 829 N GLU A 59 0.729 12.323 -4.794 1.00 0.00 N ATOM 830 CA GLU A 59 1.134 13.649 -5.229 1.00 0.00 C ATOM 831 C GLU A 59 2.347 14.123 -4.425 1.00 0.00 C ATOM 832 O GLU A 59 2.437 15.295 -4.063 1.00 0.00 O ATOM 833 CB GLU A 59 -0.024 14.641 -5.111 1.00 0.00 C ATOM 834 CG GLU A 59 0.063 15.717 -6.195 1.00 0.00 C ATOM 835 CD GLU A 59 -0.806 16.925 -5.840 1.00 0.00 C ATOM 836 OE1 GLU A 59 -0.647 17.426 -4.707 1.00 0.00 O ATOM 837 OE2 GLU A 59 -1.611 17.320 -6.712 1.00 0.00 O ATOM 0 H GLU A 59 0.717 12.191 -3.783 1.00 0.00 H new ATOM 0 HA GLU A 59 1.418 13.596 -6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.972 14.110 -5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.008 15.109 -4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.099 16.033 -6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.258 15.302 -7.151 1.00 0.00 H new ATOM 842 N ILE A 60 3.250 13.189 -4.170 1.00 0.00 N ATOM 843 CA ILE A 60 4.453 13.496 -3.415 1.00 0.00 C ATOM 844 C ILE A 60 5.369 14.380 -4.263 1.00 0.00 C ATOM 845 O ILE A 60 5.891 15.384 -3.781 1.00 0.00 O ATOM 846 CB ILE A 60 5.122 12.210 -2.925 1.00 0.00 C ATOM 847 CG1 ILE A 60 4.093 11.093 -2.740 1.00 0.00 C ATOM 848 CG2 ILE A 60 5.929 12.464 -1.650 1.00 0.00 C ATOM 849 CD1 ILE A 60 4.154 10.094 -3.897 1.00 0.00 C ATOM 0 H ILE A 60 3.173 12.218 -4.473 1.00 0.00 H new ATOM 0 HA ILE A 60 4.205 14.061 -2.516 1.00 0.00 H new ATOM 0 HB ILE A 60 5.824 11.877 -3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.278 10.576 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.093 11.522 -2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.394 11.534 -1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.702 13.206 -1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.266 12.833 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.413 9.310 -3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.945 10.610 -4.834 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.148 9.649 -3.942 1.00 0.00 H new ATOM 860 N ASP A 61 5.537 13.976 -5.515 1.00 0.00 N ATOM 861 CA ASP A 61 6.381 14.719 -6.435 1.00 0.00 C ATOM 862 C ASP A 61 5.811 16.127 -6.618 1.00 0.00 C ATOM 863 O ASP A 61 6.542 17.113 -6.525 1.00 0.00 O ATOM 864 CB ASP A 61 6.426 14.045 -7.808 1.00 0.00 C ATOM 865 CG ASP A 61 7.621 14.434 -8.680 1.00 0.00 C ATOM 866 OD1 ASP A 61 8.426 15.263 -8.204 1.00 0.00 O ATOM 867 OD2 ASP A 61 7.704 13.892 -9.803 1.00 0.00 O ATOM 0 H ASP A 61 5.102 13.143 -5.913 1.00 0.00 H new ATOM 0 HA ASP A 61 7.387 14.753 -6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.436 12.964 -7.665 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.509 14.287 -8.345 1.00 0.00 H new ATOM 871 N GLU A 62 4.513 16.177 -6.875 1.00 0.00 N ATOM 872 CA GLU A 62 3.837 17.448 -7.072 1.00 0.00 C ATOM 873 C GLU A 62 3.410 17.601 -8.534 1.00 0.00 C ATOM 874 O GLU A 62 2.248 17.886 -8.818 1.00 0.00 O ATOM 875 CB GLU A 62 4.726 18.615 -6.636 1.00 0.00 C ATOM 876 CG GLU A 62 3.901 19.888 -6.441 1.00 0.00 C ATOM 877 CD GLU A 62 4.558 20.815 -5.416 1.00 0.00 C ATOM 878 OE1 GLU A 62 5.606 21.398 -5.769 1.00 0.00 O ATOM 879 OE2 GLU A 62 3.996 20.922 -4.305 1.00 0.00 O ATOM 0 H GLU A 62 3.911 15.357 -6.952 1.00 0.00 H new ATOM 0 HA GLU A 62 2.943 17.462 -6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.236 18.361 -5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.498 18.789 -7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.797 20.408 -7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.896 19.627 -6.109 1.00 0.00 H new ATOM 884 N PRO A 63 4.399 17.400 -9.446 1.00 0.00 N ATOM 885 CA PRO A 63 4.137 17.512 -10.870 1.00 0.00 C ATOM 886 C PRO A 63 3.367 16.294 -11.384 1.00 0.00 C ATOM 887 O PRO A 63 2.429 16.433 -12.168 1.00 0.00 O ATOM 888 CB PRO A 63 5.507 17.663 -11.511 1.00 0.00 C ATOM 889 CG PRO A 63 6.507 17.165 -10.480 1.00 0.00 C ATOM 890 CD PRO A 63 5.787 17.060 -9.145 1.00 0.00 C ATOM 0 HA PRO A 63 3.501 18.363 -11.115 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.574 17.083 -12.431 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.703 18.702 -11.774 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.908 16.195 -10.775 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.352 17.850 -10.405 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.868 16.056 -8.729 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.212 17.744 -8.411 1.00 0.00 H new ATOM 895 N LEU A 64 3.792 15.127 -10.923 1.00 0.00 N ATOM 896 CA LEU A 64 3.155 13.886 -11.326 1.00 0.00 C ATOM 897 C LEU A 64 3.607 13.521 -12.741 1.00 0.00 C ATOM 898 O LEU A 64 2.800 13.088 -13.563 1.00 0.00 O ATOM 899 CB LEU A 64 1.636 13.988 -11.173 1.00 0.00 C ATOM 900 CG LEU A 64 0.854 14.321 -12.446 1.00 0.00 C ATOM 901 CD1 LEU A 64 0.267 13.056 -13.075 1.00 0.00 C ATOM 902 CD2 LEU A 64 -0.219 15.376 -12.171 1.00 0.00 C ATOM 0 H LEU A 64 4.571 15.015 -10.274 1.00 0.00 H new ATOM 0 HA LEU A 64 3.464 13.071 -10.672 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.266 13.041 -10.780 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.416 14.750 -10.426 1.00 0.00 H new ATOM 0 HG LEU A 64 1.547 14.749 -13.170 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.284 13.320 -13.978 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.074 12.369 -13.330 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.408 12.576 -12.366 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.759 15.594 -13.092 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.916 15.000 -11.422 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.253 16.287 -11.803 1.00 0.00 H new ATOM 913 N ILE A 65 4.896 13.710 -12.984 1.00 0.00 N ATOM 914 CA ILE A 65 5.466 13.407 -14.286 1.00 0.00 C ATOM 915 C ILE A 65 6.722 12.553 -14.101 1.00 0.00 C ATOM 916 O ILE A 65 7.392 12.212 -15.074 1.00 0.00 O ATOM 917 CB ILE A 65 5.706 14.693 -15.078 1.00 0.00 C ATOM 918 CG1 ILE A 65 4.385 15.296 -15.560 1.00 0.00 C ATOM 919 CG2 ILE A 65 6.681 14.451 -16.232 1.00 0.00 C ATOM 920 CD1 ILE A 65 4.217 16.728 -15.048 1.00 0.00 C ATOM 0 H ILE A 65 5.562 14.070 -12.300 1.00 0.00 H new ATOM 0 HA ILE A 65 4.767 12.820 -14.882 1.00 0.00 H new ATOM 0 HB ILE A 65 6.168 15.423 -14.413 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.354 15.290 -16.650 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.553 14.682 -15.214 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.835 15.381 -16.779 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.634 14.101 -15.836 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.269 13.698 -16.904 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.270 17.133 -15.405 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.224 16.728 -13.958 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.037 17.344 -15.416 1.00 0.00 H new ATOM 931 N GLN A 66 7.002 12.232 -12.848 1.00 0.00 N ATOM 932 CA GLN A 66 8.166 11.425 -12.523 1.00 0.00 C ATOM 933 C GLN A 66 8.149 11.037 -11.044 1.00 0.00 C ATOM 934 O GLN A 66 9.032 11.431 -10.284 1.00 0.00 O ATOM 935 CB GLN A 66 9.459 12.159 -12.882 1.00 0.00 C ATOM 936 CG GLN A 66 10.012 11.671 -14.223 1.00 0.00 C ATOM 937 CD GLN A 66 10.292 12.847 -15.161 1.00 0.00 C ATOM 938 OE1 GLN A 66 9.628 13.046 -16.164 1.00 0.00 O ATOM 939 NE2 GLN A 66 11.312 13.611 -14.781 1.00 0.00 N ATOM 0 H GLN A 66 6.443 12.516 -12.044 1.00 0.00 H new ATOM 0 HA GLN A 66 8.127 10.512 -13.117 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.271 13.232 -12.931 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.201 12.001 -12.099 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.930 11.106 -14.058 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.299 10.991 -14.689 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.827 13.388 -13.929 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.580 14.420 -15.342 1.00 0.00 H new ATOM 946 N LEU A 67 7.132 10.270 -10.677 1.00 0.00 N ATOM 947 CA LEU A 67 6.988 9.825 -9.302 1.00 0.00 C ATOM 948 C LEU A 67 5.545 9.372 -9.065 1.00 0.00 C ATOM 949 O LEU A 67 5.281 8.570 -8.171 1.00 0.00 O ATOM 950 CB LEU A 67 7.455 10.915 -8.335 1.00 0.00 C ATOM 951 CG LEU A 67 8.797 10.665 -7.642 1.00 0.00 C ATOM 952 CD1 LEU A 67 9.230 11.886 -6.828 1.00 0.00 C ATOM 953 CD2 LEU A 67 8.747 9.396 -6.789 1.00 0.00 C ATOM 0 H LEU A 67 6.400 9.946 -11.309 1.00 0.00 H new ATOM 0 HA LEU A 67 7.629 8.964 -9.112 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.521 11.855 -8.882 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.691 11.045 -7.568 1.00 0.00 H new ATOM 0 HG LEU A 67 9.553 10.506 -8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.186 11.682 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.334 12.746 -7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.479 12.101 -6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.713 9.242 -6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.975 9.500 -6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.517 8.540 -7.423 1.00 0.00 H new ATOM 964 N ASP A 68 4.649 9.905 -9.884 1.00 0.00 N ATOM 965 CA ASP A 68 3.241 9.565 -9.775 1.00 0.00 C ATOM 966 C ASP A 68 3.052 8.083 -10.104 1.00 0.00 C ATOM 967 O ASP A 68 2.343 7.372 -9.394 1.00 0.00 O ATOM 968 CB ASP A 68 2.400 10.380 -10.761 1.00 0.00 C ATOM 969 CG ASP A 68 0.992 10.730 -10.275 1.00 0.00 C ATOM 970 OD1 ASP A 68 0.907 11.480 -9.278 1.00 0.00 O ATOM 971 OD2 ASP A 68 0.035 10.240 -10.910 1.00 0.00 O ATOM 0 H ASP A 68 4.871 10.569 -10.625 1.00 0.00 H new ATOM 0 HA ASP A 68 2.918 9.785 -8.758 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.930 11.305 -10.989 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.318 9.821 -11.693 1.00 0.00 H new ATOM 975 N ASP A 69 3.697 7.661 -11.181 1.00 0.00 N ATOM 976 CA ASP A 69 3.608 6.277 -11.613 1.00 0.00 C ATOM 977 C ASP A 69 4.640 5.443 -10.850 1.00 0.00 C ATOM 978 O ASP A 69 4.539 4.218 -10.802 1.00 0.00 O ATOM 979 CB ASP A 69 3.907 6.146 -13.107 1.00 0.00 C ATOM 980 CG ASP A 69 3.377 7.290 -13.975 1.00 0.00 C ATOM 981 OD1 ASP A 69 2.138 7.450 -14.007 1.00 0.00 O ATOM 982 OD2 ASP A 69 4.223 7.976 -14.587 1.00 0.00 O ATOM 0 H ASP A 69 4.284 8.254 -11.768 1.00 0.00 H new ATOM 0 HA ASP A 69 2.595 5.926 -11.416 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.986 6.078 -13.242 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.481 5.209 -13.467 1.00 0.00 H new ATOM 986 N ASP A 70 5.608 6.140 -10.272 1.00 0.00 N ATOM 987 CA ASP A 70 6.656 5.479 -9.514 1.00 0.00 C ATOM 988 C ASP A 70 6.074 4.949 -8.203 1.00 0.00 C ATOM 989 O ASP A 70 6.490 3.899 -7.714 1.00 0.00 O ATOM 990 CB ASP A 70 7.786 6.452 -9.172 1.00 0.00 C ATOM 991 CG ASP A 70 9.145 5.800 -8.914 1.00 0.00 C ATOM 992 OD1 ASP A 70 9.206 4.556 -9.013 1.00 0.00 O ATOM 993 OD2 ASP A 70 10.094 6.561 -8.624 1.00 0.00 O ATOM 0 H ASP A 70 5.688 7.156 -10.314 1.00 0.00 H new ATOM 0 HA ASP A 70 7.052 4.667 -10.124 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.891 7.165 -9.990 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.500 7.022 -8.288 1.00 0.00 H new ATOM 997 N THR A 71 5.122 5.700 -7.669 1.00 0.00 N ATOM 998 CA THR A 71 4.478 5.318 -6.423 1.00 0.00 C ATOM 999 C THR A 71 3.111 4.689 -6.699 1.00 0.00 C ATOM 1000 O THR A 71 2.682 3.787 -5.980 1.00 0.00 O ATOM 1001 CB THR A 71 4.407 6.559 -5.529 1.00 0.00 C ATOM 1002 OG1 THR A 71 5.683 7.172 -5.685 1.00 0.00 O ATOM 1003 CG2 THR A 71 4.343 6.205 -4.042 1.00 0.00 C ATOM 0 H THR A 71 4.781 6.571 -8.076 1.00 0.00 H new ATOM 0 HA THR A 71 5.052 4.553 -5.899 1.00 0.00 H new ATOM 0 HB THR A 71 3.533 7.152 -5.799 1.00 0.00 H new ATOM 0 HG1 THR A 71 5.671 7.758 -6.470 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.294 7.120 -3.452 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.456 5.601 -3.850 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.233 5.641 -3.764 1.00 0.00 H new ATOM 1011 N ALA A 72 2.465 5.190 -7.742 1.00 0.00 N ATOM 1012 CA ALA A 72 1.156 4.687 -8.123 1.00 0.00 C ATOM 1013 C ALA A 72 1.297 3.262 -8.660 1.00 0.00 C ATOM 1014 O ALA A 72 0.386 2.448 -8.518 1.00 0.00 O ATOM 1015 CB ALA A 72 0.521 5.635 -9.142 1.00 0.00 C ATOM 0 H ALA A 72 2.824 5.939 -8.335 1.00 0.00 H new ATOM 0 HA ALA A 72 0.494 4.648 -7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.461 5.257 -9.428 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.414 6.626 -8.700 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.156 5.698 -10.025 1.00 0.00 H new ATOM 1021 N GLU A 73 2.447 3.004 -9.267 1.00 0.00 N ATOM 1022 CA GLU A 73 2.718 1.691 -9.827 1.00 0.00 C ATOM 1023 C GLU A 73 2.746 0.636 -8.718 1.00 0.00 C ATOM 1024 O GLU A 73 2.520 -0.545 -8.975 1.00 0.00 O ATOM 1025 CB GLU A 73 4.029 1.692 -10.616 1.00 0.00 C ATOM 1026 CG GLU A 73 4.475 0.265 -10.942 1.00 0.00 C ATOM 1027 CD GLU A 73 5.704 0.269 -11.853 1.00 0.00 C ATOM 1028 OE1 GLU A 73 5.521 0.583 -13.049 1.00 0.00 O ATOM 1029 OE2 GLU A 73 6.797 -0.041 -11.333 1.00 0.00 O ATOM 0 H GLU A 73 3.201 3.681 -9.383 1.00 0.00 H new ATOM 0 HA GLU A 73 1.915 1.440 -10.520 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.901 2.257 -11.540 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.804 2.196 -10.039 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.704 -0.268 -10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.660 -0.273 -11.427 1.00 0.00 H new ATOM 1034 N LEU A 74 3.025 1.102 -7.510 1.00 0.00 N ATOM 1035 CA LEU A 74 3.085 0.214 -6.362 1.00 0.00 C ATOM 1036 C LEU A 74 1.681 0.044 -5.779 1.00 0.00 C ATOM 1037 O LEU A 74 1.182 -1.075 -5.670 1.00 0.00 O ATOM 1038 CB LEU A 74 4.115 0.718 -5.348 1.00 0.00 C ATOM 1039 CG LEU A 74 5.583 0.502 -5.720 1.00 0.00 C ATOM 1040 CD1 LEU A 74 6.503 1.338 -4.826 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.945 -0.984 -5.684 1.00 0.00 C ATOM 0 H LEU A 74 3.212 2.083 -7.301 1.00 0.00 H new ATOM 0 HA LEU A 74 3.427 -0.776 -6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.953 1.785 -5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.926 0.227 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 74 5.730 0.844 -6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 74 7.541 1.167 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.264 2.395 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.360 1.049 -3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.994 -1.110 -5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.778 -1.375 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.321 -1.528 -6.394 1.00 0.00 H new ATOM 1052 N MET A 75 1.083 1.171 -5.421 1.00 0.00 N ATOM 1053 CA MET A 75 -0.254 1.161 -4.852 1.00 0.00 C ATOM 1054 C MET A 75 -1.267 0.587 -5.845 1.00 0.00 C ATOM 1055 O MET A 75 -2.275 0.007 -5.443 1.00 0.00 O ATOM 1056 CB MET A 75 -0.659 2.587 -4.475 1.00 0.00 C ATOM 1057 CG MET A 75 -0.981 3.413 -5.723 1.00 0.00 C ATOM 1058 SD MET A 75 -2.748 3.517 -5.948 1.00 0.00 S ATOM 1059 CE MET A 75 -3.010 5.239 -5.561 1.00 0.00 C ATOM 0 H MET A 75 1.500 2.097 -5.514 1.00 0.00 H new ATOM 0 HA MET A 75 -0.247 0.530 -3.963 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.528 2.560 -3.818 1.00 0.00 H new ATOM 0 HB3 MET A 75 0.148 3.063 -3.918 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.559 4.413 -5.626 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.521 2.957 -6.600 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.074 5.467 -5.618 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.649 5.445 -4.553 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.467 5.859 -6.275 1.00 0.00 H new ATOM 1067 N LYS A 76 -0.965 0.769 -7.121 1.00 0.00 N ATOM 1068 CA LYS A 76 -1.836 0.277 -8.175 1.00 0.00 C ATOM 1069 C LYS A 76 -1.548 -1.207 -8.418 1.00 0.00 C ATOM 1070 O LYS A 76 -2.422 -2.051 -8.232 1.00 0.00 O ATOM 1071 CB LYS A 76 -1.704 1.142 -9.428 1.00 0.00 C ATOM 1072 CG LYS A 76 -2.191 2.568 -9.164 1.00 0.00 C ATOM 1073 CD LYS A 76 -1.923 3.472 -10.369 1.00 0.00 C ATOM 1074 CE LYS A 76 -2.764 3.042 -11.574 1.00 0.00 C ATOM 1075 NZ LYS A 76 -2.916 4.164 -12.527 1.00 0.00 N ATOM 0 H LYS A 76 -0.128 1.251 -7.450 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.880 0.354 -7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.663 1.163 -9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.281 0.701 -10.241 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.259 2.556 -8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.689 2.970 -8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.152 4.506 -10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.865 3.435 -10.628 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.291 2.196 -12.072 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.745 2.706 -11.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.489 3.855 -13.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.388 4.961 -12.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.978 4.466 -12.860 1.00 0.00 H new ATOM 1085 N GLN A 77 -0.319 -1.478 -8.830 1.00 0.00 N ATOM 1086 CA GLN A 77 0.097 -2.843 -9.101 1.00 0.00 C ATOM 1087 C GLN A 77 -0.185 -3.734 -7.890 1.00 0.00 C ATOM 1088 O GLN A 77 -0.433 -4.930 -8.038 1.00 0.00 O ATOM 1089 CB GLN A 77 1.575 -2.900 -9.491 1.00 0.00 C ATOM 1090 CG GLN A 77 1.945 -4.281 -10.035 1.00 0.00 C ATOM 1091 CD GLN A 77 3.463 -4.475 -10.052 1.00 0.00 C ATOM 1092 OE1 GLN A 77 4.204 -3.838 -9.321 1.00 0.00 O ATOM 1093 NE2 GLN A 77 3.883 -5.389 -10.923 1.00 0.00 N ATOM 0 H GLN A 77 0.403 -0.774 -8.983 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.482 -3.217 -9.946 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.786 -2.140 -10.244 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.193 -2.669 -8.623 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.483 -5.054 -9.420 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.549 -4.397 -11.044 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.209 -5.886 -11.505 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.879 -5.592 -11.009 1.00 0.00 H new ATOM 1100 N ALA A 78 -0.140 -3.116 -6.718 1.00 0.00 N ATOM 1101 CA ALA A 78 -0.388 -3.838 -5.482 1.00 0.00 C ATOM 1102 C ALA A 78 -1.897 -4.002 -5.286 1.00 0.00 C ATOM 1103 O ALA A 78 -2.393 -5.122 -5.167 1.00 0.00 O ATOM 1104 CB ALA A 78 0.274 -3.099 -4.317 1.00 0.00 C ATOM 0 H ALA A 78 0.064 -2.124 -6.599 1.00 0.00 H new ATOM 0 HA ALA A 78 0.049 -4.835 -5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.088 -3.641 -3.390 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.348 -3.035 -4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.142 -2.094 -4.240 1.00 0.00 H new ATOM 1110 N ARG A 79 -2.584 -2.871 -5.258 1.00 0.00 N ATOM 1111 CA ARG A 79 -4.026 -2.875 -5.079 1.00 0.00 C ATOM 1112 C ARG A 79 -4.717 -3.370 -6.351 1.00 0.00 C ATOM 1113 O ARG A 79 -5.944 -3.347 -6.445 1.00 0.00 O ATOM 1114 CB ARG A 79 -4.543 -1.477 -4.736 1.00 0.00 C ATOM 1115 CG ARG A 79 -6.036 -1.509 -4.406 1.00 0.00 C ATOM 1116 CD ARG A 79 -6.816 -0.536 -5.292 1.00 0.00 C ATOM 1117 NE ARG A 79 -7.074 -1.150 -6.614 1.00 0.00 N ATOM 1118 CZ ARG A 79 -7.533 -0.477 -7.678 1.00 0.00 C ATOM 1119 NH1 ARG A 79 -7.786 0.835 -7.583 1.00 0.00 N ATOM 1120 NH2 ARG A 79 -7.738 -1.117 -8.838 1.00 0.00 N ATOM 0 H ARG A 79 -2.169 -1.944 -5.356 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.256 -3.547 -4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.988 -1.079 -3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.367 -0.804 -5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.421 -2.520 -4.544 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.186 -1.251 -3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.759 -0.273 -4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.252 0.389 -5.415 1.00 0.00 H new ATOM 0 HE ARG A 79 -6.891 -2.148 -6.722 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.629 1.322 -6.701 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.135 1.347 -8.393 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.545 -2.116 -8.910 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.087 -0.605 -9.648 1.00 0.00 H new ATOM 1131 N ASP A 80 -3.901 -3.806 -7.299 1.00 0.00 N ATOM 1132 CA ASP A 80 -4.419 -4.305 -8.562 1.00 0.00 C ATOM 1133 C ASP A 80 -4.054 -5.783 -8.709 1.00 0.00 C ATOM 1134 O ASP A 80 -4.892 -6.598 -9.093 1.00 0.00 O ATOM 1135 CB ASP A 80 -3.811 -3.548 -9.744 1.00 0.00 C ATOM 1136 CG ASP A 80 -4.293 -4.007 -11.122 1.00 0.00 C ATOM 1137 OD1 ASP A 80 -5.481 -4.383 -11.213 1.00 0.00 O ATOM 1138 OD2 ASP A 80 -3.460 -3.973 -12.055 1.00 0.00 O ATOM 0 H ASP A 80 -2.884 -3.824 -7.218 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.500 -4.165 -8.562 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.036 -2.487 -9.632 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.727 -3.650 -9.702 1.00 0.00 H new ATOM 1142 N MET A 81 -2.802 -6.085 -8.396 1.00 0.00 N ATOM 1143 CA MET A 81 -2.316 -7.452 -8.488 1.00 0.00 C ATOM 1144 C MET A 81 -3.099 -8.376 -7.554 1.00 0.00 C ATOM 1145 O MET A 81 -3.290 -9.553 -7.856 1.00 0.00 O ATOM 1146 CB MET A 81 -0.832 -7.491 -8.121 1.00 0.00 C ATOM 1147 CG MET A 81 -0.621 -7.121 -6.652 1.00 0.00 C ATOM 1148 SD MET A 81 -0.158 -8.570 -5.717 1.00 0.00 S ATOM 1149 CE MET A 81 1.481 -8.092 -5.196 1.00 0.00 C ATOM 0 H MET A 81 -2.110 -5.407 -8.078 1.00 0.00 H new ATOM 0 HA MET A 81 -2.455 -7.800 -9.512 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.433 -8.488 -8.310 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.278 -6.800 -8.757 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.155 -6.361 -6.568 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.535 -6.690 -6.242 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.919 -8.890 -4.596 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.104 -7.913 -6.073 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.422 -7.181 -4.600 1.00 0.00 H new ATOM 1157 N TYR A 82 -3.529 -7.808 -6.437 1.00 0.00 N ATOM 1158 CA TYR A 82 -4.287 -8.568 -5.456 1.00 0.00 C ATOM 1159 C TYR A 82 -4.588 -7.719 -4.219 1.00 0.00 C ATOM 1160 O TYR A 82 -4.699 -8.245 -3.113 1.00 0.00 O ATOM 1161 CB TYR A 82 -3.393 -9.741 -5.049 1.00 0.00 C ATOM 1162 CG TYR A 82 -3.967 -11.113 -5.405 1.00 0.00 C ATOM 1163 CD1 TYR A 82 -5.328 -11.330 -5.339 1.00 0.00 C ATOM 1164 CD2 TYR A 82 -3.123 -12.135 -5.792 1.00 0.00 C ATOM 1165 CE1 TYR A 82 -5.868 -12.623 -5.674 1.00 0.00 C ATOM 1166 CE2 TYR A 82 -3.664 -13.427 -6.128 1.00 0.00 C ATOM 1167 CZ TYR A 82 -5.009 -13.606 -6.052 1.00 0.00 C ATOM 1168 OH TYR A 82 -5.520 -14.828 -6.369 1.00 0.00 O ATOM 0 H TYR A 82 -3.368 -6.832 -6.189 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.239 -8.894 -5.875 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.422 -9.629 -5.531 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -3.222 -9.698 -3.973 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.988 -10.531 -5.036 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -2.058 -11.966 -5.843 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.931 -12.807 -5.626 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.016 -14.235 -6.433 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.791 -15.432 -6.622 1.00 0.00 H new ATOM 1177 N GLY A 83 -4.713 -6.419 -4.449 1.00 0.00 N ATOM 1178 CA GLY A 83 -5.000 -5.493 -3.367 1.00 0.00 C ATOM 1179 C GLY A 83 -3.710 -5.036 -2.681 1.00 0.00 C ATOM 1180 O GLY A 83 -3.640 -3.922 -2.163 1.00 0.00 O ATOM 0 H GLY A 83 -4.621 -5.986 -5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.536 -4.627 -3.757 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.654 -5.971 -2.638 1.00 0.00 H new ATOM 1184 N GLN A 84 -2.723 -5.919 -2.698 1.00 0.00 N ATOM 1185 CA GLN A 84 -1.440 -5.621 -2.084 1.00 0.00 C ATOM 1186 C GLN A 84 -0.631 -6.905 -1.895 1.00 0.00 C ATOM 1187 O GLN A 84 0.571 -6.854 -1.638 1.00 0.00 O ATOM 1188 CB GLN A 84 -1.627 -4.890 -0.753 1.00 0.00 C ATOM 1189 CG GLN A 84 -0.654 -3.715 -0.631 1.00 0.00 C ATOM 1190 CD GLN A 84 -1.322 -2.404 -1.045 1.00 0.00 C ATOM 1191 OE1 GLN A 84 -1.461 -1.474 -0.265 1.00 0.00 O ATOM 1192 NE2 GLN A 84 -1.728 -2.379 -2.311 1.00 0.00 N ATOM 0 H GLN A 84 -2.786 -6.842 -3.128 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.885 -4.960 -2.750 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.652 -4.528 -0.674 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.470 -5.584 0.072 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.299 -3.638 0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.220 -3.895 -1.257 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.581 -3.191 -2.910 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.187 -1.547 -2.683 1.00 0.00 H new ATOM 1199 N GLU A 85 -1.321 -8.028 -2.031 1.00 0.00 N ATOM 1200 CA GLU A 85 -0.681 -9.323 -1.880 1.00 0.00 C ATOM 1201 C GLU A 85 -1.650 -10.442 -2.264 1.00 0.00 C ATOM 1202 O GLU A 85 -1.256 -11.419 -2.901 1.00 0.00 O ATOM 1203 CB GLU A 85 -0.161 -9.513 -0.453 1.00 0.00 C ATOM 1204 CG GLU A 85 1.161 -10.282 -0.450 1.00 0.00 C ATOM 1205 CD GLU A 85 0.993 -11.659 0.196 1.00 0.00 C ATOM 1206 OE1 GLU A 85 0.310 -11.717 1.241 1.00 0.00 O ATOM 1207 OE2 GLU A 85 1.554 -12.624 -0.370 1.00 0.00 O ATOM 0 H GLU A 85 -2.318 -8.067 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 85 0.175 -9.365 -2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.021 -8.541 0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.901 -10.052 0.139 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.521 -10.397 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.916 -9.712 0.091 1.00 0.00 H new ATOM 1212 N LYS A 86 -2.899 -10.264 -1.862 1.00 0.00 N ATOM 1213 CA LYS A 86 -3.929 -11.248 -2.157 1.00 0.00 C ATOM 1214 C LYS A 86 -5.041 -11.144 -1.112 1.00 0.00 C ATOM 1215 O LYS A 86 -5.581 -12.159 -0.673 1.00 0.00 O ATOM 1216 CB LYS A 86 -3.318 -12.645 -2.269 1.00 0.00 C ATOM 1217 CG LYS A 86 -2.428 -12.953 -1.062 1.00 0.00 C ATOM 1218 CD LYS A 86 -2.628 -14.394 -0.588 1.00 0.00 C ATOM 1219 CE LYS A 86 -2.896 -14.443 0.918 1.00 0.00 C ATOM 1220 NZ LYS A 86 -2.120 -15.536 1.547 1.00 0.00 N ATOM 0 H LYS A 86 -3.223 -9.453 -1.334 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.383 -11.046 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.112 -13.389 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.732 -12.717 -3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.382 -12.795 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.659 -12.264 -0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.463 -14.845 -1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.742 -14.984 -0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.627 -13.490 1.373 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.960 -14.593 1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.313 -15.555 2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.396 -16.445 1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.105 -15.376 1.390 1.00 0.00 H new ATOM 1230 N LEU A 87 -5.351 -9.910 -0.743 1.00 0.00 N ATOM 1231 CA LEU A 87 -6.389 -9.662 0.242 1.00 0.00 C ATOM 1232 C LEU A 87 -7.383 -8.641 -0.316 1.00 0.00 C ATOM 1233 O LEU A 87 -8.377 -8.319 0.332 1.00 0.00 O ATOM 1234 CB LEU A 87 -5.771 -9.249 1.580 1.00 0.00 C ATOM 1235 CG LEU A 87 -4.732 -10.210 2.163 1.00 0.00 C ATOM 1236 CD1 LEU A 87 -3.838 -9.498 3.180 1.00 0.00 C ATOM 1237 CD2 LEU A 87 -5.405 -11.449 2.757 1.00 0.00 C ATOM 0 H LEU A 87 -4.901 -9.071 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.948 -10.576 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.304 -8.272 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.574 -9.129 2.307 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.088 -10.552 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.109 -10.203 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.317 -8.674 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.450 -9.110 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.645 -12.116 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.087 -11.147 3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.963 -11.968 1.978 1.00 0.00 H new ATOM 1248 N ASN A 88 -7.079 -8.160 -1.513 1.00 0.00 N ATOM 1249 CA ASN A 88 -7.933 -7.183 -2.166 1.00 0.00 C ATOM 1250 C ASN A 88 -9.389 -7.447 -1.782 1.00 0.00 C ATOM 1251 O ASN A 88 -10.157 -6.512 -1.561 1.00 0.00 O ATOM 1252 CB ASN A 88 -7.819 -7.282 -3.689 1.00 0.00 C ATOM 1253 CG ASN A 88 -8.237 -8.669 -4.180 1.00 0.00 C ATOM 1254 OD1 ASN A 88 -7.634 -9.679 -3.855 1.00 0.00 O ATOM 1255 ND2 ASN A 88 -9.300 -8.663 -4.979 1.00 0.00 N ATOM 0 H ASN A 88 -6.253 -8.429 -2.047 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.617 -6.191 -1.845 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.447 -6.523 -4.155 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.793 -7.078 -3.995 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.657 -9.540 -5.359 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.758 -7.782 -5.212 1.00 0.00 H new ATOM 1261 N GLU A 89 -9.727 -8.726 -1.716 1.00 0.00 N ATOM 1262 CA GLU A 89 -11.078 -9.126 -1.362 1.00 0.00 C ATOM 1263 C GLU A 89 -11.601 -8.267 -0.207 1.00 0.00 C ATOM 1264 O GLU A 89 -12.725 -7.771 -0.258 1.00 0.00 O ATOM 1265 CB GLU A 89 -11.136 -10.613 -1.008 1.00 0.00 C ATOM 1266 CG GLU A 89 -10.103 -10.963 0.065 1.00 0.00 C ATOM 1267 CD GLU A 89 -9.974 -12.479 0.229 1.00 0.00 C ATOM 1268 OE1 GLU A 89 -11.034 -13.129 0.349 1.00 0.00 O ATOM 1269 OE2 GLU A 89 -8.817 -12.952 0.230 1.00 0.00 O ATOM 0 H GLU A 89 -9.088 -9.499 -1.902 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.721 -8.967 -2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.135 -10.867 -0.653 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.954 -11.210 -1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.136 -10.539 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.394 -10.514 1.015 1.00 0.00 H new ATOM 1274 N LYS A 90 -10.760 -8.120 0.806 1.00 0.00 N ATOM 1275 CA LYS A 90 -11.123 -7.331 1.970 1.00 0.00 C ATOM 1276 C LYS A 90 -10.111 -6.198 2.149 1.00 0.00 C ATOM 1277 O LYS A 90 -10.343 -5.269 2.921 1.00 0.00 O ATOM 1278 CB LYS A 90 -11.267 -8.228 3.202 1.00 0.00 C ATOM 1279 CG LYS A 90 -12.729 -8.331 3.638 1.00 0.00 C ATOM 1280 CD LYS A 90 -12.996 -7.464 4.871 1.00 0.00 C ATOM 1281 CE LYS A 90 -14.205 -6.552 4.647 1.00 0.00 C ATOM 1282 NZ LYS A 90 -15.392 -7.082 5.355 1.00 0.00 N ATOM 0 H LYS A 90 -9.829 -8.534 0.845 1.00 0.00 H new ATOM 0 HA LYS A 90 -12.099 -6.867 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.879 -9.222 2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.667 -7.828 4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.379 -8.018 2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.974 -9.370 3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.172 -8.102 5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.116 -6.860 5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.981 -5.547 5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.416 -6.473 3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -16.203 -6.452 5.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.615 -8.032 4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.193 -7.135 6.374 1.00 0.00 H new ATOM 1292 N LEU A 91 -9.009 -6.311 1.422 1.00 0.00 N ATOM 1293 CA LEU A 91 -7.960 -5.308 1.490 1.00 0.00 C ATOM 1294 C LEU A 91 -8.362 -4.098 0.644 1.00 0.00 C ATOM 1295 O LEU A 91 -7.829 -3.005 0.826 1.00 0.00 O ATOM 1296 CB LEU A 91 -6.612 -5.914 1.095 1.00 0.00 C ATOM 1297 CG LEU A 91 -5.436 -5.594 2.020 1.00 0.00 C ATOM 1298 CD1 LEU A 91 -5.400 -6.551 3.213 1.00 0.00 C ATOM 1299 CD2 LEU A 91 -4.115 -5.592 1.246 1.00 0.00 C ATOM 0 H LEU A 91 -8.820 -7.083 0.782 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.836 -4.955 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.724 -6.997 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.362 -5.571 0.091 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.578 -4.589 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.555 -6.301 3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.326 -6.459 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.294 -7.575 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.295 -5.362 1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.953 -6.574 0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.156 -4.839 0.459 1.00 0.00 H new ATOM 1310 N ASN A 92 -9.299 -4.335 -0.262 1.00 0.00 N ATOM 1311 CA ASN A 92 -9.778 -3.279 -1.137 1.00 0.00 C ATOM 1312 C ASN A 92 -10.371 -2.150 -0.290 1.00 0.00 C ATOM 1313 O ASN A 92 -10.128 -0.974 -0.558 1.00 0.00 O ATOM 1314 CB ASN A 92 -10.873 -3.793 -2.072 1.00 0.00 C ATOM 1315 CG ASN A 92 -10.280 -4.282 -3.395 1.00 0.00 C ATOM 1316 OD1 ASN A 92 -9.230 -3.844 -3.834 1.00 0.00 O ATOM 1317 ND2 ASN A 92 -11.009 -5.214 -4.003 1.00 0.00 N ATOM 0 H ASN A 92 -9.739 -5.243 -0.409 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.935 -2.924 -1.730 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -11.415 -4.606 -1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -11.594 -2.999 -2.264 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.697 -5.606 -4.892 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.879 -5.537 -3.580 1.00 0.00 H new ATOM 1323 N THR A 93 -11.135 -2.548 0.716 1.00 0.00 N ATOM 1324 CA THR A 93 -11.764 -1.586 1.604 1.00 0.00 C ATOM 1325 C THR A 93 -10.835 -1.250 2.771 1.00 0.00 C ATOM 1326 O THR A 93 -10.885 -0.147 3.312 1.00 0.00 O ATOM 1327 CB THR A 93 -13.112 -2.160 2.046 1.00 0.00 C ATOM 1328 OG1 THR A 93 -12.775 -3.079 3.081 1.00 0.00 O ATOM 1329 CG2 THR A 93 -13.758 -3.034 0.968 1.00 0.00 C ATOM 0 H THR A 93 -11.333 -3.524 0.936 1.00 0.00 H new ATOM 0 HA THR A 93 -11.949 -0.640 1.094 1.00 0.00 H new ATOM 0 HB THR A 93 -13.787 -1.344 2.305 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.592 -3.497 3.426 1.00 0.00 H new ATOM 0 HG21 THR A 93 -14.712 -3.416 1.332 1.00 0.00 H new ATOM 0 HG22 THR A 93 -13.925 -2.440 0.070 1.00 0.00 H new ATOM 0 HG23 THR A 93 -13.098 -3.869 0.733 1.00 0.00 H new ATOM 1337 N ILE A 94 -10.008 -2.224 3.126 1.00 0.00 N ATOM 1338 CA ILE A 94 -9.068 -2.046 4.219 1.00 0.00 C ATOM 1339 C ILE A 94 -7.922 -1.143 3.759 1.00 0.00 C ATOM 1340 O ILE A 94 -7.326 -0.430 4.565 1.00 0.00 O ATOM 1341 CB ILE A 94 -8.606 -3.402 4.756 1.00 0.00 C ATOM 1342 CG1 ILE A 94 -9.344 -3.762 6.047 1.00 0.00 C ATOM 1343 CG2 ILE A 94 -7.087 -3.432 4.936 1.00 0.00 C ATOM 1344 CD1 ILE A 94 -10.851 -3.863 5.807 1.00 0.00 C ATOM 0 H ILE A 94 -9.970 -3.138 2.676 1.00 0.00 H new ATOM 0 HA ILE A 94 -9.551 -1.546 5.058 1.00 0.00 H new ATOM 0 HB ILE A 94 -8.858 -4.164 4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.969 -4.710 6.432 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -9.143 -3.007 6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.785 -4.407 5.319 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.603 -3.254 3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.789 -2.657 5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.352 -4.120 6.740 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.227 -2.906 5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.050 -4.635 5.064 1.00 0.00 H new ATOM 1355 N ILE A 95 -7.647 -1.204 2.464 1.00 0.00 N ATOM 1356 CA ILE A 95 -6.582 -0.402 1.887 1.00 0.00 C ATOM 1357 C ILE A 95 -7.067 1.040 1.722 1.00 0.00 C ATOM 1358 O ILE A 95 -6.352 1.982 2.060 1.00 0.00 O ATOM 1359 CB ILE A 95 -6.079 -1.034 0.587 1.00 0.00 C ATOM 1360 CG1 ILE A 95 -4.762 -0.395 0.141 1.00 0.00 C ATOM 1361 CG2 ILE A 95 -7.148 -0.967 -0.504 1.00 0.00 C ATOM 1362 CD1 ILE A 95 -4.269 -1.015 -1.169 1.00 0.00 C ATOM 0 H ILE A 95 -8.143 -1.796 1.798 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.721 -0.375 2.555 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.877 -2.089 0.775 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.900 0.678 0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.008 -0.527 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.765 -1.423 -1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.037 -1.505 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -7.405 0.074 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.332 -0.544 -1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.109 -2.084 -1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.015 -0.859 -1.949 1.00 0.00 H new ATOM 1373 N LYS A 96 -8.279 1.166 1.203 1.00 0.00 N ATOM 1374 CA LYS A 96 -8.869 2.477 0.989 1.00 0.00 C ATOM 1375 C LYS A 96 -9.260 3.082 2.338 1.00 0.00 C ATOM 1376 O LYS A 96 -9.423 4.296 2.455 1.00 0.00 O ATOM 1377 CB LYS A 96 -10.030 2.386 -0.004 1.00 0.00 C ATOM 1378 CG LYS A 96 -11.354 2.136 0.721 1.00 0.00 C ATOM 1379 CD LYS A 96 -12.452 1.734 -0.266 1.00 0.00 C ATOM 1380 CE LYS A 96 -13.690 1.223 0.472 1.00 0.00 C ATOM 1381 NZ LYS A 96 -14.567 2.353 0.858 1.00 0.00 N ATOM 0 H LYS A 96 -8.869 0.382 0.924 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.143 3.152 0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.095 3.310 -0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.843 1.581 -0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.223 1.350 1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.654 3.036 1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.721 2.590 -0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.078 0.960 -0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.240 0.529 -0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.388 0.669 1.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.476 1.985 1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.109 2.907 1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.732 2.962 0.031 1.00 0.00 H new ATOM 1391 N GLN A 97 -9.399 2.208 3.324 1.00 0.00 N ATOM 1392 CA GLN A 97 -9.768 2.641 4.661 1.00 0.00 C ATOM 1393 C GLN A 97 -8.515 2.960 5.480 1.00 0.00 C ATOM 1394 O GLN A 97 -8.473 3.960 6.194 1.00 0.00 O ATOM 1395 CB GLN A 97 -10.627 1.586 5.362 1.00 0.00 C ATOM 1396 CG GLN A 97 -12.061 1.604 4.825 1.00 0.00 C ATOM 1397 CD GLN A 97 -12.824 0.351 5.262 1.00 0.00 C ATOM 1398 OE1 GLN A 97 -12.343 -0.766 5.162 1.00 0.00 O ATOM 1399 NE2 GLN A 97 -14.036 0.599 5.749 1.00 0.00 N ATOM 0 H GLN A 97 -9.263 1.202 3.224 1.00 0.00 H new ATOM 0 HA GLN A 97 -10.364 3.549 4.576 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.191 0.598 5.213 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -10.634 1.772 6.436 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.578 2.493 5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -12.045 1.664 3.737 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.377 1.559 5.804 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -14.625 -0.171 6.067 1.00 0.00 H new ATOM 1406 N ILE A 98 -7.525 2.088 5.351 1.00 0.00 N ATOM 1407 CA ILE A 98 -6.275 2.264 6.070 1.00 0.00 C ATOM 1408 C ILE A 98 -5.393 3.261 5.315 1.00 0.00 C ATOM 1409 O ILE A 98 -4.356 3.686 5.822 1.00 0.00 O ATOM 1410 CB ILE A 98 -5.603 0.912 6.315 1.00 0.00 C ATOM 1411 CG1 ILE A 98 -4.833 0.914 7.637 1.00 0.00 C ATOM 1412 CG2 ILE A 98 -4.713 0.520 5.134 1.00 0.00 C ATOM 1413 CD1 ILE A 98 -5.769 1.184 8.816 1.00 0.00 C ATOM 0 H ILE A 98 -7.564 1.258 4.759 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.460 2.686 7.058 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.382 0.154 6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.337 -0.047 7.774 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.052 1.674 7.606 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.247 -0.445 5.334 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.318 0.451 4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -3.939 1.275 4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.196 1.180 9.743 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.245 2.156 8.688 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.534 0.408 8.858 1.00 0.00 H new ATOM 1424 N LEU A 99 -5.838 3.607 4.116 1.00 0.00 N ATOM 1425 CA LEU A 99 -5.103 4.545 3.286 1.00 0.00 C ATOM 1426 C LEU A 99 -5.699 5.944 3.455 1.00 0.00 C ATOM 1427 O LEU A 99 -4.967 6.928 3.550 1.00 0.00 O ATOM 1428 CB LEU A 99 -5.066 4.064 1.835 1.00 0.00 C ATOM 1429 CG LEU A 99 -4.253 4.922 0.864 1.00 0.00 C ATOM 1430 CD1 LEU A 99 -3.363 4.050 -0.025 1.00 0.00 C ATOM 1431 CD2 LEU A 99 -5.165 5.835 0.042 1.00 0.00 C ATOM 0 H LEU A 99 -6.699 3.254 3.699 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.062 4.600 3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.663 3.051 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.090 4.005 1.466 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.594 5.566 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.796 4.685 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.674 3.479 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.984 3.364 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.561 6.434 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.866 5.228 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.718 6.494 0.711 1.00 0.00 H new ATOM 1442 N SER A 100 -7.024 5.988 3.487 1.00 0.00 N ATOM 1443 CA SER A 100 -7.726 7.250 3.643 1.00 0.00 C ATOM 1444 C SER A 100 -8.712 7.160 4.810 1.00 0.00 C ATOM 1445 O SER A 100 -8.959 8.150 5.496 1.00 0.00 O ATOM 1446 CB SER A 100 -8.461 7.633 2.357 1.00 0.00 C ATOM 1447 OG SER A 100 -7.923 8.812 1.765 1.00 0.00 O ATOM 0 H SER A 100 -7.628 5.170 3.408 1.00 0.00 H new ATOM 0 HA SER A 100 -6.991 8.026 3.856 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.399 6.810 1.645 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.518 7.787 2.576 1.00 0.00 H new ATOM 0 HG SER A 100 -7.705 9.460 2.467 1.00 0.00 H new ATOM 1452 N ILE A 101 -9.248 5.962 4.999 1.00 0.00 N ATOM 1453 CA ILE A 101 -10.200 5.730 6.071 1.00 0.00 C ATOM 1454 C ILE A 101 -11.436 6.603 5.848 1.00 0.00 C ATOM 1455 O ILE A 101 -12.189 6.870 6.783 1.00 0.00 O ATOM 1456 CB ILE A 101 -9.535 5.940 7.433 1.00 0.00 C ATOM 1457 CG1 ILE A 101 -9.905 4.818 8.404 1.00 0.00 C ATOM 1458 CG2 ILE A 101 -9.872 7.322 7.999 1.00 0.00 C ATOM 1459 CD1 ILE A 101 -11.424 4.662 8.508 1.00 0.00 C ATOM 0 H ILE A 101 -9.041 5.143 4.428 1.00 0.00 H new ATOM 0 HA ILE A 101 -10.537 4.693 6.064 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.454 5.902 7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.462 3.881 8.068 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -9.490 5.032 9.389 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.387 7.447 8.967 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -9.517 8.092 7.314 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -10.952 7.413 8.119 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -11.660 3.858 9.205 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -11.862 5.593 8.867 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -11.833 4.424 7.526 1.00 0.00 H new ATOM 1470 N SER A 102 -11.607 7.024 4.604 1.00 0.00 N ATOM 1471 CA SER A 102 -12.739 7.862 4.246 1.00 0.00 C ATOM 1472 C SER A 102 -12.358 9.338 4.373 1.00 0.00 C ATOM 1473 O SER A 102 -13.229 10.204 4.443 1.00 0.00 O ATOM 1474 CB SER A 102 -13.954 7.550 5.122 1.00 0.00 C ATOM 1475 OG SER A 102 -15.180 7.829 4.451 1.00 0.00 O ATOM 0 H SER A 102 -10.980 6.801 3.831 1.00 0.00 H new ATOM 0 HA SER A 102 -13.007 7.650 3.211 1.00 0.00 H new ATOM 0 HB2 SER A 102 -13.931 6.500 5.414 1.00 0.00 H new ATOM 0 HB3 SER A 102 -13.901 8.137 6.039 1.00 0.00 H new ATOM 0 HG SER A 102 -15.932 7.616 5.042 1.00 0.00 H new ATOM 1480 N VAL A 103 -11.055 9.581 4.399 1.00 0.00 N ATOM 1481 CA VAL A 103 -10.550 10.937 4.516 1.00 0.00 C ATOM 1482 C VAL A 103 -10.175 11.460 3.128 1.00 0.00 C ATOM 1483 O VAL A 103 -9.932 12.652 2.955 1.00 0.00 O ATOM 1484 CB VAL A 103 -9.381 10.976 5.505 1.00 0.00 C ATOM 1485 CG1 VAL A 103 -8.747 12.367 5.548 1.00 0.00 C ATOM 1486 CG2 VAL A 103 -9.828 10.532 6.899 1.00 0.00 C ATOM 0 H VAL A 103 -10.335 8.861 4.341 1.00 0.00 H new ATOM 0 HA VAL A 103 -11.320 11.598 4.915 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.623 10.274 5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.920 12.368 6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -8.376 12.628 4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.493 13.098 5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.979 10.569 7.582 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.613 11.198 7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.211 9.513 6.851 1.00 0.00 H new ATOM 1496 N SER A 104 -10.141 10.540 2.175 1.00 0.00 N ATOM 1497 CA SER A 104 -9.800 10.893 0.806 1.00 0.00 C ATOM 1498 C SER A 104 -10.899 11.771 0.204 1.00 0.00 C ATOM 1499 O SER A 104 -10.754 12.278 -0.908 1.00 0.00 O ATOM 1500 CB SER A 104 -9.591 9.642 -0.049 1.00 0.00 C ATOM 1501 OG SER A 104 -8.251 9.537 -0.524 1.00 0.00 O ATOM 0 H SER A 104 -10.344 9.551 2.323 1.00 0.00 H new ATOM 0 HA SER A 104 -8.864 11.451 0.819 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.838 8.757 0.537 1.00 0.00 H new ATOM 0 HB3 SER A 104 -10.275 9.664 -0.897 1.00 0.00 H new ATOM 0 HG SER A 104 -7.634 9.523 0.237 1.00 0.00 H new ATOM 1506 N GLU A 105 -11.974 11.924 0.964 1.00 0.00 N ATOM 1507 CA GLU A 105 -13.096 12.731 0.518 1.00 0.00 C ATOM 1508 C GLU A 105 -14.172 11.843 -0.111 1.00 0.00 C ATOM 1509 O GLU A 105 -15.045 12.333 -0.826 1.00 0.00 O ATOM 1510 CB GLU A 105 -12.638 13.815 -0.460 1.00 0.00 C ATOM 1511 CG GLU A 105 -13.622 14.986 -0.481 1.00 0.00 C ATOM 1512 CD GLU A 105 -13.219 16.022 -1.532 1.00 0.00 C ATOM 1513 OE1 GLU A 105 -11.998 16.258 -1.656 1.00 0.00 O ATOM 1514 OE2 GLU A 105 -14.140 16.556 -2.186 1.00 0.00 O ATOM 0 H GLU A 105 -12.091 11.503 1.885 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.527 13.230 1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.648 14.172 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.549 13.393 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.626 14.618 -0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.656 15.455 0.502 1.00 0.00 H new ATOM 1519 N GLU A 106 -14.074 10.555 0.178 1.00 0.00 N ATOM 1520 CA GLU A 106 -15.028 9.595 -0.351 1.00 0.00 C ATOM 1521 C GLU A 106 -14.793 9.382 -1.847 1.00 0.00 C ATOM 1522 O GLU A 106 -14.688 8.247 -2.308 1.00 0.00 O ATOM 1523 CB GLU A 106 -16.465 10.042 -0.078 1.00 0.00 C ATOM 1524 CG GLU A 106 -17.369 8.842 0.208 1.00 0.00 C ATOM 1525 CD GLU A 106 -18.778 9.296 0.596 1.00 0.00 C ATOM 1526 OE1 GLU A 106 -18.866 10.278 1.365 1.00 0.00 O ATOM 1527 OE2 GLU A 106 -19.734 8.652 0.115 1.00 0.00 O ATOM 0 H GLU A 106 -13.349 10.153 0.772 1.00 0.00 H new ATOM 0 HA GLU A 106 -14.877 8.643 0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -16.482 10.725 0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -16.847 10.593 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -17.419 8.202 -0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -16.941 8.244 1.013 1.00 0.00 H new ATOM 1532 N GLY A 107 -14.720 10.494 -2.565 1.00 0.00 N ATOM 1533 CA GLY A 107 -14.500 10.444 -4.001 1.00 0.00 C ATOM 1534 C GLY A 107 -15.366 9.362 -4.651 1.00 0.00 C ATOM 1535 O GLY A 107 -15.020 8.838 -5.708 1.00 0.00 O ATOM 0 H GLY A 107 -14.809 11.434 -2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -14.731 11.414 -4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.448 10.244 -4.205 1.00 0.00 H new ATOM 1539 N GLU A 108 -16.473 9.061 -3.991 1.00 0.00 N ATOM 1540 CA GLU A 108 -17.391 8.051 -4.491 1.00 0.00 C ATOM 1541 C GLU A 108 -16.672 6.709 -4.646 1.00 0.00 C ATOM 1542 O GLU A 108 -16.862 6.010 -5.639 1.00 0.00 O ATOM 1543 CB GLU A 108 -18.022 8.490 -5.813 1.00 0.00 C ATOM 1544 CG GLU A 108 -19.369 9.177 -5.578 1.00 0.00 C ATOM 1545 CD GLU A 108 -19.555 10.362 -6.527 1.00 0.00 C ATOM 1546 OE1 GLU A 108 -18.837 11.366 -6.330 1.00 0.00 O ATOM 1547 OE2 GLU A 108 -20.410 10.236 -7.431 1.00 0.00 O ATOM 0 H GLU A 108 -16.756 9.498 -3.114 1.00 0.00 H new ATOM 0 HA GLU A 108 -18.195 7.928 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -17.348 9.171 -6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -18.160 7.623 -6.459 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -20.177 8.460 -5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -19.430 9.521 -4.545 1.00 0.00 H new ATOM 1552 N LYS A 109 -15.860 6.391 -3.648 1.00 0.00 N ATOM 1553 CA LYS A 109 -15.110 5.147 -3.661 1.00 0.00 C ATOM 1554 C LYS A 109 -14.230 5.099 -4.912 1.00 0.00 C ATOM 1555 O LYS A 109 -14.026 4.034 -5.492 1.00 0.00 O ATOM 1556 CB LYS A 109 -16.055 3.951 -3.530 1.00 0.00 C ATOM 1557 CG LYS A 109 -16.295 3.601 -2.060 1.00 0.00 C ATOM 1558 CD LYS A 109 -17.787 3.647 -1.722 1.00 0.00 C ATOM 1559 CE LYS A 109 -18.496 2.379 -2.203 1.00 0.00 C ATOM 1560 NZ LYS A 109 -19.927 2.410 -1.823 1.00 0.00 N ATOM 0 H LYS A 109 -15.705 6.974 -2.825 1.00 0.00 H new ATOM 0 HA LYS A 109 -14.444 5.095 -2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -17.005 4.179 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -15.632 3.090 -4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.901 2.606 -1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.752 4.299 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -17.917 3.755 -0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -18.242 4.521 -2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -18.403 2.291 -3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -18.017 1.501 -1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -20.394 1.543 -2.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -20.010 2.472 -0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -20.384 3.238 -2.257 1.00 0.00 H new