USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 749 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 101 LYS NZ :NH3+ -113:sc= -1.21 (180deg=0) USER MOD Set 1.2: A 105 GLN : amide:sc= -4.39 K(o=-5.6,f=-2.7!) USER MOD Set 2.1: A 51 THR OG1 : rot 122:sc= -0.524 USER MOD Set 2.2: A 97 MET CE :methyl 174:sc= -5.77! (180deg=-5.99!) USER MOD Set 3.1: A 59 MET CE :methyl -121:sc= -7.89! (180deg=-1.31!) USER MOD Set 3.2: A 88 MET CE :methyl 148:sc= -16.4! (180deg=-15.8!) USER MOD Set 3.3: B 72 THR OG1 : rot -18:sc= -8.74! USER MOD Set 4.1: A 28 THR OG1 : rot -153:sc= -5.03! USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= -1.28 USER MOD Set 5.1: A 13 SER OG : rot 28:sc= 1.28! USER MOD Set 5.2: A 32 THR OG1 : rot -176:sc= 1.53! USER MOD Single : A 3 HIS : no HD1:sc= -6.3! C(o=-6.3!,f=-5.2!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.16) USER MOD Single : A 23 SER OG : rot 180:sc= -0.915 USER MOD Single : A 31 SER OG : rot -17:sc= -0.0458 USER MOD Single : A 36 LYS NZ :NH3+ -142:sc= -0.168 (180deg=-0.808) USER MOD Single : A 38 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.13) USER MOD Single : A 43 SER OG : rot 25:sc= 0.142 USER MOD Single : A 44 THR OG1 : rot -33:sc= 0.137 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -5.8 K(o=-5.8,f=-9.5!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 60:sc= -1.58! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -176:sc= -2.82! (180deg=-2.86) USER MOD Single : A 87 HIS : no HE2:sc= -3.28! K(o=-3.3!,f=-2.6) USER MOD Single : A 90 SER OG : rot 180:sc= -0.103 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0196 K(o=-0.02,f=-1.3) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 30:sc= 0.164 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 0.473 -14.340 4.351 1.00 0.00 N ATOM 29 CA HIS A 3 0.936 -13.573 3.199 1.00 0.00 C ATOM 30 C HIS A 3 -0.115 -13.542 2.102 1.00 0.00 C ATOM 31 O HIS A 3 -0.241 -12.556 1.378 1.00 0.00 O ATOM 32 CB HIS A 3 2.240 -14.162 2.658 1.00 0.00 C ATOM 33 CG HIS A 3 3.286 -14.367 3.710 1.00 0.00 C ATOM 34 ND1 HIS A 3 3.236 -15.393 4.631 1.00 0.00 N ATOM 35 CD2 HIS A 3 4.416 -13.673 3.984 1.00 0.00 C ATOM 36 CE1 HIS A 3 4.289 -15.319 5.426 1.00 0.00 C ATOM 37 NE2 HIS A 3 5.020 -14.285 5.054 1.00 0.00 N ATOM 0 HA HIS A 3 1.116 -12.550 3.528 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.026 -15.117 2.179 1.00 0.00 H new ATOM 0 HB3 HIS A 3 2.636 -13.500 1.888 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.775 -12.800 3.459 1.00 0.00 H new ATOM 0 HE1 HIS A 3 4.513 -15.991 6.242 1.00 0.00 H new ATOM 0 HE2 HIS A 3 5.893 -13.989 5.491 1.00 0.00 H new ATOM 46 N SER A 4 -0.871 -14.622 1.986 1.00 0.00 N ATOM 47 CA SER A 4 -1.914 -14.706 0.975 1.00 0.00 C ATOM 48 C SER A 4 -3.247 -14.224 1.528 1.00 0.00 C ATOM 49 O SER A 4 -3.665 -14.612 2.619 1.00 0.00 O ATOM 50 CB SER A 4 -2.058 -16.131 0.445 1.00 0.00 C ATOM 51 OG SER A 4 -0.791 -16.735 0.249 1.00 0.00 O ATOM 0 H SER A 4 -0.783 -15.449 2.576 1.00 0.00 H new ATOM 0 HA SER A 4 -1.620 -14.058 0.150 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.643 -16.726 1.147 1.00 0.00 H new ATOM 0 HB3 SER A 4 -2.607 -16.118 -0.496 1.00 0.00 H new ATOM 0 HG SER A 4 -0.912 -17.647 -0.089 1.00 0.00 H new ATOM 57 N GLY A 5 -3.903 -13.376 0.756 1.00 0.00 N ATOM 58 CA GLY A 5 -5.185 -12.832 1.146 1.00 0.00 C ATOM 59 C GLY A 5 -5.934 -12.310 -0.056 1.00 0.00 C ATOM 60 O GLY A 5 -5.437 -12.394 -1.177 1.00 0.00 O ATOM 0 H GLY A 5 -3.564 -13.050 -0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.776 -13.602 1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -5.040 -12.028 1.867 1.00 0.00 H new ATOM 64 N ALA A 6 -7.123 -11.772 0.158 1.00 0.00 N ATOM 65 CA ALA A 6 -7.907 -11.244 -0.946 1.00 0.00 C ATOM 66 C ALA A 6 -7.921 -9.723 -0.935 1.00 0.00 C ATOM 67 O ALA A 6 -8.006 -9.097 0.121 1.00 0.00 O ATOM 68 CB ALA A 6 -9.322 -11.793 -0.912 1.00 0.00 C ATOM 0 H ALA A 6 -7.563 -11.690 1.075 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.435 -11.567 -1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.891 -11.385 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.293 -12.880 -0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.800 -11.509 0.026 1.00 0.00 H new ATOM 74 N ALA A 7 -7.836 -9.141 -2.123 1.00 0.00 N ATOM 75 CA ALA A 7 -7.835 -7.693 -2.271 1.00 0.00 C ATOM 76 C ALA A 7 -8.438 -7.292 -3.606 1.00 0.00 C ATOM 77 O ALA A 7 -8.517 -8.105 -4.527 1.00 0.00 O ATOM 78 CB ALA A 7 -6.422 -7.146 -2.137 1.00 0.00 C ATOM 0 H ALA A 7 -7.767 -9.653 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.447 -7.265 -1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.439 -6.062 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.024 -7.402 -1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.788 -7.581 -2.910 1.00 0.00 H new ATOM 84 N ILE A 8 -8.870 -6.042 -3.714 1.00 0.00 N ATOM 85 CA ILE A 8 -9.467 -5.567 -4.950 1.00 0.00 C ATOM 86 C ILE A 8 -8.865 -4.243 -5.400 1.00 0.00 C ATOM 87 O ILE A 8 -8.517 -3.390 -4.584 1.00 0.00 O ATOM 88 CB ILE A 8 -10.990 -5.410 -4.807 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.631 -6.759 -4.502 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.580 -4.822 -6.079 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.836 -6.660 -3.594 1.00 0.00 C ATOM 0 H ILE A 8 -8.818 -5.348 -2.969 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.252 -6.320 -5.708 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.196 -4.730 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.929 -7.231 -5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.889 -7.409 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.659 -4.716 -5.965 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.137 -3.844 -6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.368 -5.484 -6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.242 -7.656 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.540 -6.216 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.596 -6.036 -4.064 1.00 0.00 H new ATOM 103 N PHE A 9 -8.755 -4.085 -6.713 1.00 0.00 N ATOM 104 CA PHE A 9 -8.207 -2.871 -7.300 1.00 0.00 C ATOM 105 C PHE A 9 -8.915 -2.547 -8.614 1.00 0.00 C ATOM 106 O PHE A 9 -9.264 -3.446 -9.379 1.00 0.00 O ATOM 107 CB PHE A 9 -6.704 -3.026 -7.532 1.00 0.00 C ATOM 108 CG PHE A 9 -6.076 -1.836 -8.196 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.131 -1.693 -9.571 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.437 -0.862 -7.446 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.557 -0.599 -10.190 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.861 0.234 -8.058 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.920 0.367 -9.432 1.00 0.00 C ATOM 0 H PHE A 9 -9.040 -4.788 -7.395 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.370 -2.046 -6.606 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.212 -3.200 -6.575 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.528 -3.910 -8.146 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.628 -2.444 -10.167 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.389 -0.961 -6.372 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.606 -0.498 -11.264 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.365 0.986 -7.463 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.470 1.223 -9.913 1.00 0.00 H new ATOM 123 N GLU A 10 -9.132 -1.258 -8.866 1.00 0.00 N ATOM 124 CA GLU A 10 -9.807 -0.812 -10.082 1.00 0.00 C ATOM 125 C GLU A 10 -11.090 -1.600 -10.323 1.00 0.00 C ATOM 126 O GLU A 10 -11.440 -1.906 -11.463 1.00 0.00 O ATOM 127 CB GLU A 10 -8.878 -0.932 -11.289 1.00 0.00 C ATOM 128 CG GLU A 10 -8.219 0.382 -11.664 1.00 0.00 C ATOM 129 CD GLU A 10 -7.329 0.263 -12.885 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.683 -0.503 -13.806 1.00 0.00 O ATOM 131 OE2 GLU A 10 -6.278 0.936 -12.922 1.00 0.00 O ATOM 0 H GLU A 10 -8.849 -0.502 -8.242 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.073 0.236 -9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.106 -1.671 -11.074 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.446 -1.304 -12.142 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.990 1.129 -11.853 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.627 0.740 -10.822 1.00 0.00 H new ATOM 138 N LYS A 11 -11.792 -1.915 -9.242 1.00 0.00 N ATOM 139 CA LYS A 11 -13.045 -2.657 -9.329 1.00 0.00 C ATOM 140 C LYS A 11 -12.818 -4.087 -9.817 1.00 0.00 C ATOM 141 O LYS A 11 -13.760 -4.764 -10.226 1.00 0.00 O ATOM 142 CB LYS A 11 -14.030 -1.941 -10.261 1.00 0.00 C ATOM 143 CG LYS A 11 -13.835 -0.432 -10.324 1.00 0.00 C ATOM 144 CD LYS A 11 -15.091 0.271 -10.814 1.00 0.00 C ATOM 145 CE LYS A 11 -14.955 1.782 -10.723 1.00 0.00 C ATOM 146 NZ LYS A 11 -16.232 2.475 -11.049 1.00 0.00 N ATOM 0 H LYS A 11 -11.515 -1.668 -8.292 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.467 -2.703 -8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.929 -2.353 -11.265 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.047 -2.152 -9.930 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.568 -0.057 -9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.003 -0.199 -10.989 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.290 -0.016 -11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.946 -0.055 -10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.639 2.058 -9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.175 2.118 -11.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.097 3.504 -10.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.521 2.232 -12.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.971 2.174 -10.382 1.00 0.00 H new ATOM 160 N VAL A 12 -11.571 -4.549 -9.761 1.00 0.00 N ATOM 161 CA VAL A 12 -11.247 -5.905 -10.187 1.00 0.00 C ATOM 162 C VAL A 12 -10.735 -6.715 -9.007 1.00 0.00 C ATOM 163 O VAL A 12 -9.756 -6.337 -8.365 1.00 0.00 O ATOM 164 CB VAL A 12 -10.190 -5.918 -11.308 1.00 0.00 C ATOM 165 CG1 VAL A 12 -10.104 -7.300 -11.939 1.00 0.00 C ATOM 166 CG2 VAL A 12 -10.507 -4.863 -12.357 1.00 0.00 C ATOM 0 H VAL A 12 -10.774 -4.007 -9.427 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.163 -6.350 -10.577 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.220 -5.679 -10.872 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.353 -7.293 -12.729 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.825 -8.030 -11.179 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.072 -7.568 -12.361 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.749 -4.889 -13.140 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.485 -5.066 -12.793 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.514 -3.878 -11.891 1.00 0.00 H new ATOM 176 N SER A 13 -11.411 -7.817 -8.707 1.00 0.00 N ATOM 177 CA SER A 13 -11.022 -8.653 -7.581 1.00 0.00 C ATOM 178 C SER A 13 -9.949 -9.663 -7.959 1.00 0.00 C ATOM 179 O SER A 13 -9.817 -10.062 -9.116 1.00 0.00 O ATOM 180 CB SER A 13 -12.235 -9.374 -6.997 1.00 0.00 C ATOM 181 OG SER A 13 -12.973 -10.038 -8.008 1.00 0.00 O ATOM 0 H SER A 13 -12.225 -8.150 -9.224 1.00 0.00 H new ATOM 0 HA SER A 13 -10.601 -7.990 -6.825 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.907 -10.096 -6.249 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.877 -8.656 -6.487 1.00 0.00 H new ATOM 0 HG SER A 13 -12.374 -10.281 -8.744 1.00 0.00 H new ATOM 187 N GLY A 14 -9.178 -10.051 -6.952 1.00 0.00 N ATOM 188 CA GLY A 14 -8.095 -10.994 -7.136 1.00 0.00 C ATOM 189 C GLY A 14 -7.513 -11.423 -5.807 1.00 0.00 C ATOM 190 O GLY A 14 -7.989 -10.997 -4.755 1.00 0.00 O ATOM 0 H GLY A 14 -9.288 -9.721 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.458 -11.868 -7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.315 -10.542 -7.749 1.00 0.00 H new ATOM 194 N ILE A 15 -6.484 -12.257 -5.841 1.00 0.00 N ATOM 195 CA ILE A 15 -5.856 -12.717 -4.612 1.00 0.00 C ATOM 196 C ILE A 15 -4.498 -12.057 -4.449 1.00 0.00 C ATOM 197 O ILE A 15 -3.721 -11.955 -5.398 1.00 0.00 O ATOM 198 CB ILE A 15 -5.678 -14.250 -4.582 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.903 -14.945 -5.181 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.439 -14.727 -3.153 1.00 0.00 C ATOM 201 CD1 ILE A 15 -6.758 -15.262 -6.653 1.00 0.00 C ATOM 0 H ILE A 15 -6.070 -12.626 -6.697 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.517 -12.440 -3.791 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.808 -14.509 -5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.089 -15.870 -4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.777 -14.309 -5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.315 -15.810 -3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.538 -14.257 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.292 -14.456 -2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.663 -15.753 -7.010 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.602 -14.338 -7.210 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.904 -15.923 -6.800 1.00 0.00 H new ATOM 213 N ILE A 16 -4.240 -11.583 -3.242 1.00 0.00 N ATOM 214 CA ILE A 16 -3.001 -10.894 -2.933 1.00 0.00 C ATOM 215 C ILE A 16 -2.073 -11.792 -2.112 1.00 0.00 C ATOM 216 O ILE A 16 -2.515 -12.456 -1.177 1.00 0.00 O ATOM 217 CB ILE A 16 -3.304 -9.599 -2.154 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.033 -8.791 -1.917 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.002 -9.915 -0.839 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.309 -7.333 -1.628 1.00 0.00 C ATOM 0 H ILE A 16 -4.881 -11.665 -2.453 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.500 -10.644 -3.868 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.976 -8.990 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.483 -9.224 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.391 -8.867 -2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.207 -8.988 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.940 -10.433 -1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.360 -10.551 -0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.367 -6.809 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.833 -6.887 -2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.927 -7.250 -0.734 1.00 0.00 H new ATOM 232 N ALA A 17 -0.792 -11.836 -2.477 1.00 0.00 N ATOM 233 CA ALA A 17 0.163 -12.689 -1.769 1.00 0.00 C ATOM 234 C ALA A 17 1.553 -12.064 -1.684 1.00 0.00 C ATOM 235 O ALA A 17 2.014 -11.428 -2.631 1.00 0.00 O ATOM 236 CB ALA A 17 0.252 -14.038 -2.461 1.00 0.00 C ATOM 0 H ALA A 17 -0.395 -11.299 -3.248 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.202 -12.809 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.964 -14.672 -1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.729 -14.513 -2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.585 -13.898 -3.489 1.00 0.00 H new ATOM 242 N ILE A 18 2.230 -12.278 -0.553 1.00 0.00 N ATOM 243 CA ILE A 18 3.580 -11.755 -0.357 1.00 0.00 C ATOM 244 C ILE A 18 4.618 -12.787 -0.790 1.00 0.00 C ATOM 245 O ILE A 18 4.424 -13.990 -0.612 1.00 0.00 O ATOM 246 CB ILE A 18 3.853 -11.385 1.117 1.00 0.00 C ATOM 247 CG1 ILE A 18 2.595 -10.845 1.802 1.00 0.00 C ATOM 248 CG2 ILE A 18 4.982 -10.369 1.204 1.00 0.00 C ATOM 249 CD1 ILE A 18 1.886 -9.760 1.022 1.00 0.00 C ATOM 0 H ILE A 18 1.865 -12.809 0.238 1.00 0.00 H new ATOM 0 HA ILE A 18 3.656 -10.854 -0.966 1.00 0.00 H new ATOM 0 HB ILE A 18 4.151 -12.293 1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.902 -11.670 1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.867 -10.454 2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.165 -10.117 2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.887 -10.793 0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.704 -9.469 0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.006 -9.431 1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.560 -8.916 0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.580 -10.150 0.051 1.00 0.00 H new ATOM 261 N ASN A 19 5.716 -12.310 -1.363 1.00 0.00 N ATOM 262 CA ASN A 19 6.786 -13.186 -1.829 1.00 0.00 C ATOM 263 C ASN A 19 8.109 -12.829 -1.174 1.00 0.00 C ATOM 264 O ASN A 19 8.688 -11.778 -1.449 1.00 0.00 O ATOM 265 CB ASN A 19 6.920 -13.093 -3.350 1.00 0.00 C ATOM 266 CG ASN A 19 5.585 -13.225 -4.058 1.00 0.00 C ATOM 267 OD1 ASN A 19 4.993 -12.233 -4.482 1.00 0.00 O ATOM 268 ND2 ASN A 19 5.104 -14.456 -4.187 1.00 0.00 N ATOM 0 H ASN A 19 5.890 -11.317 -1.517 1.00 0.00 H new ATOM 0 HA ASN A 19 6.529 -14.208 -1.551 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.375 -12.138 -3.614 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.593 -13.875 -3.701 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.209 -14.608 -4.653 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.629 -15.250 -3.820 1.00 0.00 H new ATOM 275 N GLU A 20 8.589 -13.724 -0.319 1.00 0.00 N ATOM 276 CA GLU A 20 9.857 -13.524 0.365 1.00 0.00 C ATOM 277 C GLU A 20 10.878 -14.535 -0.130 1.00 0.00 C ATOM 278 O GLU A 20 11.790 -14.930 0.595 1.00 0.00 O ATOM 279 CB GLU A 20 9.680 -13.643 1.880 1.00 0.00 C ATOM 280 CG GLU A 20 9.355 -12.323 2.560 1.00 0.00 C ATOM 281 CD GLU A 20 9.150 -12.473 4.055 1.00 0.00 C ATOM 282 OE1 GLU A 20 10.158 -12.584 4.784 1.00 0.00 O ATOM 283 OE2 GLU A 20 7.982 -12.478 4.497 1.00 0.00 O ATOM 0 H GLU A 20 8.117 -14.597 -0.084 1.00 0.00 H new ATOM 0 HA GLU A 20 10.217 -12.519 0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.883 -14.356 2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.594 -14.050 2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.164 -11.615 2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.455 -11.901 2.114 1.00 0.00 H new ATOM 290 N ASP A 21 10.707 -14.943 -1.379 1.00 0.00 N ATOM 291 CA ASP A 21 11.601 -15.908 -2.005 1.00 0.00 C ATOM 292 C ASP A 21 12.574 -15.211 -2.950 1.00 0.00 C ATOM 293 O ASP A 21 13.664 -15.717 -3.217 1.00 0.00 O ATOM 294 CB ASP A 21 10.796 -16.961 -2.769 1.00 0.00 C ATOM 295 CG ASP A 21 11.460 -18.324 -2.750 1.00 0.00 C ATOM 296 OD1 ASP A 21 12.707 -18.377 -2.800 1.00 0.00 O ATOM 297 OD2 ASP A 21 10.734 -19.337 -2.684 1.00 0.00 O ATOM 0 H ASP A 21 9.952 -14.618 -1.983 1.00 0.00 H new ATOM 0 HA ASP A 21 12.173 -16.400 -1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.800 -17.039 -2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.668 -16.637 -3.802 1.00 0.00 H new ATOM 302 N VAL A 22 12.177 -14.043 -3.447 1.00 0.00 N ATOM 303 CA VAL A 22 13.024 -13.276 -4.358 1.00 0.00 C ATOM 304 C VAL A 22 13.751 -12.164 -3.608 1.00 0.00 C ATOM 305 O VAL A 22 13.418 -11.860 -2.462 1.00 0.00 O ATOM 306 CB VAL A 22 12.221 -12.656 -5.529 1.00 0.00 C ATOM 307 CG1 VAL A 22 12.527 -13.382 -6.829 1.00 0.00 C ATOM 308 CG2 VAL A 22 10.723 -12.672 -5.248 1.00 0.00 C ATOM 0 H VAL A 22 11.279 -13.608 -3.236 1.00 0.00 H new ATOM 0 HA VAL A 22 13.746 -13.978 -4.775 1.00 0.00 H new ATOM 0 HB VAL A 22 12.529 -11.615 -5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.954 -12.933 -7.640 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.592 -13.302 -7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.255 -14.433 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.190 -12.230 -6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.390 -13.700 -5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.516 -12.097 -4.345 1.00 0.00 H new ATOM 318 N SER A 23 14.746 -11.557 -4.254 1.00 0.00 N ATOM 319 CA SER A 23 15.510 -10.479 -3.630 1.00 0.00 C ATOM 320 C SER A 23 14.571 -9.428 -3.042 1.00 0.00 C ATOM 321 O SER A 23 14.478 -9.290 -1.822 1.00 0.00 O ATOM 322 CB SER A 23 16.469 -9.838 -4.634 1.00 0.00 C ATOM 323 OG SER A 23 16.190 -10.265 -5.956 1.00 0.00 O ATOM 0 H SER A 23 15.040 -11.791 -5.202 1.00 0.00 H new ATOM 0 HA SER A 23 16.102 -10.907 -2.821 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.388 -8.753 -4.575 1.00 0.00 H new ATOM 0 HB3 SER A 23 17.496 -10.096 -4.375 1.00 0.00 H new ATOM 0 HG SER A 23 16.817 -9.838 -6.577 1.00 0.00 H new ATOM 329 N PRO A 24 13.840 -8.682 -3.893 1.00 0.00 N ATOM 330 CA PRO A 24 12.900 -7.673 -3.422 1.00 0.00 C ATOM 331 C PRO A 24 11.601 -8.309 -2.965 1.00 0.00 C ATOM 332 O PRO A 24 10.651 -8.417 -3.739 1.00 0.00 O ATOM 333 CB PRO A 24 12.653 -6.815 -4.655 1.00 0.00 C ATOM 334 CG PRO A 24 12.814 -7.761 -5.797 1.00 0.00 C ATOM 335 CD PRO A 24 13.848 -8.774 -5.368 1.00 0.00 C ATOM 0 HA PRO A 24 13.283 -7.111 -2.570 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.656 -6.374 -4.640 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.365 -5.992 -4.716 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.868 -8.248 -6.034 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.136 -7.234 -6.695 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.590 -9.777 -5.708 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.831 -8.541 -5.778 1.00 0.00 H new ATOM 343 N ALA A 25 11.567 -8.734 -1.707 1.00 0.00 N ATOM 344 CA ALA A 25 10.374 -9.366 -1.150 1.00 0.00 C ATOM 345 C ALA A 25 9.146 -8.576 -1.549 1.00 0.00 C ATOM 346 O ALA A 25 8.829 -7.562 -0.942 1.00 0.00 O ATOM 347 CB ALA A 25 10.465 -9.475 0.358 1.00 0.00 C ATOM 0 H ALA A 25 12.347 -8.654 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 25 10.299 -10.377 -1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.563 -9.949 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.334 -10.075 0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.564 -8.479 0.789 1.00 0.00 H new ATOM 353 N GLU A 26 8.498 -9.034 -2.604 1.00 0.00 N ATOM 354 CA GLU A 26 7.331 -8.357 -3.150 1.00 0.00 C ATOM 355 C GLU A 26 6.085 -9.229 -3.102 1.00 0.00 C ATOM 356 O GLU A 26 6.158 -10.415 -2.800 1.00 0.00 O ATOM 357 CB GLU A 26 7.624 -7.918 -4.578 1.00 0.00 C ATOM 358 CG GLU A 26 8.189 -9.025 -5.453 1.00 0.00 C ATOM 359 CD GLU A 26 7.557 -9.060 -6.831 1.00 0.00 C ATOM 360 OE1 GLU A 26 7.749 -8.092 -7.596 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.871 -10.056 -7.144 1.00 0.00 O ATOM 0 H GLU A 26 8.762 -9.882 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 26 7.127 -7.483 -2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.705 -7.543 -5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.330 -7.088 -4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.266 -8.889 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.034 -9.986 -4.962 1.00 0.00 H new ATOM 368 N LEU A 27 4.938 -8.623 -3.400 1.00 0.00 N ATOM 369 CA LEU A 27 3.674 -9.323 -3.385 1.00 0.00 C ATOM 370 C LEU A 27 2.945 -9.096 -4.693 1.00 0.00 C ATOM 371 O LEU A 27 2.955 -7.987 -5.228 1.00 0.00 O ATOM 372 CB LEU A 27 2.814 -8.837 -2.213 1.00 0.00 C ATOM 373 CG LEU A 27 2.326 -7.389 -2.315 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.114 -7.292 -3.232 1.00 0.00 C ATOM 375 CD2 LEU A 27 1.994 -6.844 -0.934 1.00 0.00 C ATOM 0 H LEU A 27 4.868 -7.638 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 27 3.862 -10.390 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.946 -9.490 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.388 -8.945 -1.293 1.00 0.00 H new ATOM 0 HG LEU A 27 3.127 -6.786 -2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.784 -6.255 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.382 -7.644 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.307 -7.908 -2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.649 -5.814 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.210 -7.452 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.885 -6.875 -0.307 1.00 0.00 H new ATOM 387 N THR A 28 2.311 -10.136 -5.211 1.00 0.00 N ATOM 388 CA THR A 28 1.586 -10.002 -6.459 1.00 0.00 C ATOM 389 C THR A 28 0.112 -10.288 -6.266 1.00 0.00 C ATOM 390 O THR A 28 -0.288 -11.064 -5.397 1.00 0.00 O ATOM 391 CB THR A 28 2.181 -10.889 -7.546 1.00 0.00 C ATOM 392 OG1 THR A 28 3.498 -10.481 -7.858 1.00 0.00 O ATOM 393 CG2 THR A 28 1.379 -10.892 -8.831 1.00 0.00 C ATOM 0 H THR A 28 2.284 -11.066 -4.793 1.00 0.00 H new ATOM 0 HA THR A 28 1.686 -8.968 -6.789 1.00 0.00 H new ATOM 0 HB THR A 28 2.167 -11.898 -7.133 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.709 -10.735 -8.781 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.861 -11.544 -9.559 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.371 -11.255 -8.630 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.327 -9.879 -9.230 1.00 0.00 H new ATOM 401 N TRP A 29 -0.685 -9.609 -7.066 1.00 0.00 N ATOM 402 CA TRP A 29 -2.130 -9.718 -6.994 1.00 0.00 C ATOM 403 C TRP A 29 -2.723 -10.292 -8.278 1.00 0.00 C ATOM 404 O TRP A 29 -2.741 -9.631 -9.313 1.00 0.00 O ATOM 405 CB TRP A 29 -2.693 -8.329 -6.727 1.00 0.00 C ATOM 406 CG TRP A 29 -4.174 -8.289 -6.604 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.903 -8.478 -5.470 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.109 -8.025 -7.650 1.00 0.00 C ATOM 409 NE1 TRP A 29 -6.237 -8.344 -5.742 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.392 -8.066 -7.075 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.987 -7.756 -9.018 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.546 -7.847 -7.815 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -6.140 -7.541 -9.752 1.00 0.00 C ATOM 414 CH2 TRP A 29 -7.403 -7.586 -9.149 1.00 0.00 C ATOM 0 H TRP A 29 -0.351 -8.966 -7.784 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.397 -10.405 -6.191 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.252 -7.940 -5.809 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.388 -7.663 -7.534 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.489 -8.701 -4.498 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.993 -8.436 -5.063 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.016 -7.717 -9.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.522 -7.882 -7.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.064 -7.335 -10.809 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.283 -7.411 -9.751 1.00 0.00 H new ATOM 425 N ARG A 30 -3.218 -11.522 -8.201 1.00 0.00 N ATOM 426 CA ARG A 30 -3.819 -12.178 -9.358 1.00 0.00 C ATOM 427 C ARG A 30 -5.343 -12.093 -9.301 1.00 0.00 C ATOM 428 O ARG A 30 -5.958 -12.543 -8.336 1.00 0.00 O ATOM 429 CB ARG A 30 -3.382 -13.643 -9.420 1.00 0.00 C ATOM 430 CG ARG A 30 -3.466 -14.247 -10.811 1.00 0.00 C ATOM 431 CD ARG A 30 -2.562 -15.461 -10.947 1.00 0.00 C ATOM 432 NE ARG A 30 -3.231 -16.692 -10.531 1.00 0.00 N ATOM 433 CZ ARG A 30 -2.616 -17.866 -10.412 1.00 0.00 C ATOM 434 NH1 ARG A 30 -1.319 -17.974 -10.675 1.00 0.00 N ATOM 435 NH2 ARG A 30 -3.299 -18.936 -10.028 1.00 0.00 N ATOM 0 H ARG A 30 -3.215 -12.085 -7.351 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.477 -11.663 -10.256 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.356 -13.722 -9.060 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.004 -14.227 -8.742 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.496 -14.534 -11.023 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.185 -13.498 -11.551 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.238 -15.557 -11.983 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.665 -15.314 -10.345 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.228 -16.649 -10.319 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.788 -17.154 -10.970 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.853 -18.877 -10.582 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.295 -18.859 -9.824 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.828 -19.836 -9.937 1.00 0.00 H new ATOM 449 N SER A 31 -5.948 -11.512 -10.338 1.00 0.00 N ATOM 450 CA SER A 31 -7.404 -11.370 -10.396 1.00 0.00 C ATOM 451 C SER A 31 -8.105 -12.666 -9.994 1.00 0.00 C ATOM 452 O SER A 31 -7.498 -13.737 -9.994 1.00 0.00 O ATOM 453 CB SER A 31 -7.841 -10.963 -11.804 1.00 0.00 C ATOM 454 OG SER A 31 -8.898 -10.021 -11.757 1.00 0.00 O ATOM 0 H SER A 31 -5.455 -11.133 -11.147 1.00 0.00 H new ATOM 0 HA SER A 31 -7.690 -10.592 -9.688 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.994 -10.538 -12.342 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.160 -11.845 -12.358 1.00 0.00 H new ATOM 0 HG SER A 31 -9.309 -10.035 -10.867 1.00 0.00 H new ATOM 460 N THR A 32 -9.385 -12.559 -9.652 1.00 0.00 N ATOM 461 CA THR A 32 -10.167 -13.722 -9.248 1.00 0.00 C ATOM 462 C THR A 32 -10.490 -14.597 -10.449 1.00 0.00 C ATOM 463 O THR A 32 -10.542 -15.823 -10.347 1.00 0.00 O ATOM 464 CB THR A 32 -11.458 -13.282 -8.556 1.00 0.00 C ATOM 465 OG1 THR A 32 -11.883 -12.022 -9.042 1.00 0.00 O ATOM 466 CG2 THR A 32 -11.325 -13.173 -7.053 1.00 0.00 C ATOM 0 H THR A 32 -9.902 -11.680 -9.647 1.00 0.00 H new ATOM 0 HA THR A 32 -9.572 -14.305 -8.545 1.00 0.00 H new ATOM 0 HB THR A 32 -12.187 -14.060 -8.784 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.672 -11.727 -8.541 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.277 -12.857 -6.626 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.047 -14.143 -6.641 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.556 -12.441 -6.808 1.00 0.00 H new ATOM 505 N LYS A 36 -6.248 -10.709 -14.976 1.00 0.00 N ATOM 506 CA LYS A 36 -5.189 -9.749 -14.690 1.00 0.00 C ATOM 507 C LYS A 36 -4.366 -10.163 -13.475 1.00 0.00 C ATOM 508 O LYS A 36 -4.846 -10.874 -12.593 1.00 0.00 O ATOM 509 CB LYS A 36 -5.778 -8.360 -14.469 1.00 0.00 C ATOM 510 CG LYS A 36 -6.621 -8.239 -13.214 1.00 0.00 C ATOM 511 CD LYS A 36 -7.079 -6.808 -13.005 1.00 0.00 C ATOM 512 CE LYS A 36 -5.901 -5.869 -12.805 1.00 0.00 C ATOM 513 NZ LYS A 36 -5.540 -5.156 -14.062 1.00 0.00 N ATOM 0 HA LYS A 36 -4.525 -9.727 -15.554 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.965 -7.636 -14.419 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.389 -8.094 -15.332 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.488 -8.895 -13.289 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.044 -8.570 -12.350 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.663 -6.482 -13.866 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.736 -6.759 -12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.144 -5.141 -12.031 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.041 -6.436 -12.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.506 -5.070 -14.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.896 -5.692 -14.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.966 -4.207 -14.058 1.00 0.00 H new ATOM 527 N VAL A 37 -3.122 -9.700 -13.439 1.00 0.00 N ATOM 528 CA VAL A 37 -2.214 -10.000 -12.340 1.00 0.00 C ATOM 529 C VAL A 37 -1.294 -8.814 -12.075 1.00 0.00 C ATOM 530 O VAL A 37 -0.528 -8.411 -12.951 1.00 0.00 O ATOM 531 CB VAL A 37 -1.350 -11.245 -12.633 1.00 0.00 C ATOM 532 CG1 VAL A 37 -0.829 -11.848 -11.338 1.00 0.00 C ATOM 533 CG2 VAL A 37 -2.136 -12.277 -13.430 1.00 0.00 C ATOM 0 H VAL A 37 -2.717 -9.110 -14.166 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.829 -10.202 -11.463 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.497 -10.933 -13.236 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.222 -12.725 -11.563 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.222 -11.111 -10.812 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.670 -12.141 -10.709 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.505 -13.145 -13.624 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.013 -12.586 -12.861 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.453 -11.841 -14.377 1.00 0.00 H new ATOM 543 N HIS A 38 -1.368 -8.250 -10.874 1.00 0.00 N ATOM 544 CA HIS A 38 -0.530 -7.110 -10.532 1.00 0.00 C ATOM 545 C HIS A 38 0.506 -7.473 -9.474 1.00 0.00 C ATOM 546 O HIS A 38 0.184 -7.665 -8.305 1.00 0.00 O ATOM 547 CB HIS A 38 -1.395 -5.950 -10.034 1.00 0.00 C ATOM 548 CG HIS A 38 -0.890 -4.605 -10.454 1.00 0.00 C ATOM 549 ND1 HIS A 38 -1.338 -3.425 -9.898 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.031 -4.254 -11.383 1.00 0.00 C ATOM 551 CE1 HIS A 38 -0.715 -2.408 -10.466 1.00 0.00 C ATOM 552 NE2 HIS A 38 0.121 -2.884 -11.370 1.00 0.00 N ATOM 0 H HIS A 38 -1.993 -8.560 -10.130 1.00 0.00 H new ATOM 0 HA HIS A 38 0.001 -6.807 -11.435 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.412 -6.080 -10.405 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.446 -5.986 -8.946 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.591 -4.927 -12.016 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.864 -1.365 -10.231 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.734 -2.325 -11.963 1.00 0.00 H new ATOM 561 N THR A 39 1.757 -7.527 -9.902 1.00 0.00 N ATOM 562 CA THR A 39 2.883 -7.831 -9.018 1.00 0.00 C ATOM 563 C THR A 39 3.477 -6.526 -8.495 1.00 0.00 C ATOM 564 O THR A 39 4.132 -5.796 -9.238 1.00 0.00 O ATOM 565 CB THR A 39 3.957 -8.601 -9.795 1.00 0.00 C ATOM 566 OG1 THR A 39 3.472 -9.865 -10.210 1.00 0.00 O ATOM 567 CG2 THR A 39 5.230 -8.831 -9.006 1.00 0.00 C ATOM 0 H THR A 39 2.026 -7.362 -10.872 1.00 0.00 H new ATOM 0 HA THR A 39 2.535 -8.440 -8.184 1.00 0.00 H new ATOM 0 HB THR A 39 4.194 -7.969 -10.651 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.173 -10.338 -10.704 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.944 -9.381 -9.619 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.660 -7.871 -8.722 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.003 -9.407 -8.109 1.00 0.00 H new ATOM 575 N VAL A 40 3.247 -6.230 -7.224 1.00 0.00 N ATOM 576 CA VAL A 40 3.768 -5.005 -6.631 1.00 0.00 C ATOM 577 C VAL A 40 5.080 -5.272 -5.907 1.00 0.00 C ATOM 578 O VAL A 40 5.113 -6.014 -4.926 1.00 0.00 O ATOM 579 CB VAL A 40 2.765 -4.377 -5.643 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.110 -2.917 -5.396 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.338 -4.514 -6.160 1.00 0.00 C ATOM 0 H VAL A 40 2.707 -6.816 -6.587 1.00 0.00 H new ATOM 0 HA VAL A 40 3.936 -4.304 -7.448 1.00 0.00 H new ATOM 0 HB VAL A 40 2.833 -4.913 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.393 -2.487 -4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.114 -2.846 -4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.071 -2.370 -6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.648 -4.064 -5.447 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.249 -4.007 -7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.095 -5.569 -6.283 1.00 0.00 H new ATOM 591 N VAL A 41 6.164 -4.672 -6.395 1.00 0.00 N ATOM 592 CA VAL A 41 7.465 -4.875 -5.775 1.00 0.00 C ATOM 593 C VAL A 41 7.596 -4.091 -4.482 1.00 0.00 C ATOM 594 O VAL A 41 7.932 -2.907 -4.488 1.00 0.00 O ATOM 595 CB VAL A 41 8.638 -4.506 -6.701 1.00 0.00 C ATOM 596 CG1 VAL A 41 9.958 -4.974 -6.089 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.438 -5.109 -8.083 1.00 0.00 C ATOM 0 H VAL A 41 6.166 -4.052 -7.205 1.00 0.00 H new ATOM 0 HA VAL A 41 7.519 -5.943 -5.566 1.00 0.00 H new ATOM 0 HB VAL A 41 8.672 -3.422 -6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.781 -4.708 -6.752 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.101 -4.493 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.934 -6.056 -5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.277 -4.837 -8.723 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.380 -6.194 -8.002 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.513 -4.728 -8.516 1.00 0.00 H new ATOM 607 N LEU A 42 7.346 -4.774 -3.370 1.00 0.00 N ATOM 608 CA LEU A 42 7.446 -4.172 -2.044 1.00 0.00 C ATOM 609 C LEU A 42 8.715 -3.337 -1.924 1.00 0.00 C ATOM 610 O LEU A 42 8.765 -2.363 -1.173 1.00 0.00 O ATOM 611 CB LEU A 42 7.466 -5.270 -0.986 1.00 0.00 C ATOM 612 CG LEU A 42 6.108 -5.650 -0.388 1.00 0.00 C ATOM 613 CD1 LEU A 42 5.131 -6.065 -1.478 1.00 0.00 C ATOM 614 CD2 LEU A 42 6.273 -6.769 0.634 1.00 0.00 C ATOM 0 H LEU A 42 7.070 -5.756 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 42 6.583 -3.523 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.910 -6.163 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.122 -4.954 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 42 5.701 -4.774 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.174 -6.330 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.988 -5.237 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.530 -6.925 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.299 -7.028 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.705 -7.644 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.933 -6.436 1.435 1.00 0.00 H new ATOM 626 N SER A 43 9.736 -3.729 -2.677 1.00 0.00 N ATOM 627 CA SER A 43 11.006 -3.018 -2.664 1.00 0.00 C ATOM 628 C SER A 43 10.827 -1.644 -3.273 1.00 0.00 C ATOM 629 O SER A 43 11.236 -0.632 -2.705 1.00 0.00 O ATOM 630 CB SER A 43 12.072 -3.804 -3.430 1.00 0.00 C ATOM 631 OG SER A 43 12.882 -4.560 -2.548 1.00 0.00 O ATOM 0 H SER A 43 9.708 -4.534 -3.303 1.00 0.00 H new ATOM 0 HA SER A 43 11.339 -2.911 -1.632 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.592 -4.469 -4.148 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.695 -3.116 -4.001 1.00 0.00 H new ATOM 0 HG SER A 43 12.386 -4.741 -1.722 1.00 0.00 H new ATOM 637 N THR A 44 10.187 -1.625 -4.427 1.00 0.00 N ATOM 638 CA THR A 44 9.908 -0.398 -5.131 1.00 0.00 C ATOM 639 C THR A 44 8.797 0.374 -4.426 1.00 0.00 C ATOM 640 O THR A 44 8.622 1.570 -4.652 1.00 0.00 O ATOM 641 CB THR A 44 9.501 -0.715 -6.565 1.00 0.00 C ATOM 642 OG1 THR A 44 8.194 -1.260 -6.608 1.00 0.00 O ATOM 643 CG2 THR A 44 10.430 -1.692 -7.255 1.00 0.00 C ATOM 0 H THR A 44 9.848 -2.463 -4.899 1.00 0.00 H new ATOM 0 HA THR A 44 10.805 0.221 -5.142 1.00 0.00 H new ATOM 0 HB THR A 44 9.550 0.238 -7.092 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.034 -1.790 -5.799 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.080 -1.871 -8.271 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.437 -1.276 -7.286 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.443 -2.633 -6.704 1.00 0.00 H new ATOM 651 N ILE A 45 8.046 -0.320 -3.567 1.00 0.00 N ATOM 652 CA ILE A 45 6.955 0.315 -2.832 1.00 0.00 C ATOM 653 C ILE A 45 7.496 1.259 -1.761 1.00 0.00 C ATOM 654 O ILE A 45 7.513 2.476 -1.944 1.00 0.00 O ATOM 655 CB ILE A 45 6.018 -0.731 -2.186 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.333 -1.570 -3.266 1.00 0.00 C ATOM 657 CG2 ILE A 45 4.976 -0.050 -1.311 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.414 -2.637 -2.711 1.00 0.00 C ATOM 0 H ILE A 45 8.173 -1.312 -3.366 1.00 0.00 H new ATOM 0 HA ILE A 45 6.376 0.892 -3.553 1.00 0.00 H new ATOM 0 HB ILE A 45 6.620 -1.389 -1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.759 -0.911 -3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.095 -2.044 -3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.326 -0.803 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.475 0.512 -0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.379 0.630 -1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.963 -3.193 -3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.986 -3.319 -2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.630 -2.168 -2.117 1.00 0.00 H new ATOM 670 N ASP A 46 7.941 0.678 -0.653 1.00 0.00 N ATOM 671 CA ASP A 46 8.505 1.434 0.474 1.00 0.00 C ATOM 672 C ASP A 46 7.427 1.909 1.451 1.00 0.00 C ATOM 673 O ASP A 46 7.727 2.219 2.603 1.00 0.00 O ATOM 674 CB ASP A 46 9.324 2.634 -0.015 1.00 0.00 C ATOM 675 CG ASP A 46 10.236 2.281 -1.174 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.916 1.237 -1.097 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.269 3.050 -2.158 1.00 0.00 O ATOM 0 H ASP A 46 7.924 -0.331 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 46 9.163 0.747 1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.647 3.432 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.923 3.021 0.809 1.00 0.00 H new ATOM 682 N LYS A 47 6.177 1.971 0.998 1.00 0.00 N ATOM 683 CA LYS A 47 5.083 2.414 1.860 1.00 0.00 C ATOM 684 C LYS A 47 3.962 1.380 1.914 1.00 0.00 C ATOM 685 O LYS A 47 3.640 0.737 0.916 1.00 0.00 O ATOM 686 CB LYS A 47 4.533 3.756 1.384 1.00 0.00 C ATOM 687 CG LYS A 47 4.916 4.921 2.281 1.00 0.00 C ATOM 688 CD LYS A 47 6.356 5.350 2.052 1.00 0.00 C ATOM 689 CE LYS A 47 6.437 6.568 1.145 1.00 0.00 C ATOM 690 NZ LYS A 47 7.615 7.421 1.464 1.00 0.00 N ATOM 0 H LYS A 47 5.898 1.723 0.049 1.00 0.00 H new ATOM 0 HA LYS A 47 5.485 2.532 2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.895 3.951 0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.446 3.694 1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.250 5.762 2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.781 4.638 3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.826 5.576 3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.916 4.527 1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.495 6.244 0.106 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.525 7.156 1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.634 8.240 0.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.548 7.752 2.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.487 6.867 1.344 1.00 0.00 H new ATOM 704 N LEU A 48 3.376 1.234 3.096 1.00 0.00 N ATOM 705 CA LEU A 48 2.290 0.283 3.314 1.00 0.00 C ATOM 706 C LEU A 48 1.420 0.732 4.487 1.00 0.00 C ATOM 707 O LEU A 48 1.937 1.100 5.540 1.00 0.00 O ATOM 708 CB LEU A 48 2.876 -1.110 3.580 1.00 0.00 C ATOM 709 CG LEU A 48 1.911 -2.141 4.177 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.463 -3.133 3.115 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.572 -2.866 5.342 1.00 0.00 C ATOM 0 H LEU A 48 3.637 1.767 3.926 1.00 0.00 H new ATOM 0 HA LEU A 48 1.664 0.241 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.263 -1.505 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.725 -1.003 4.255 1.00 0.00 H new ATOM 0 HG LEU A 48 1.029 -1.618 4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.779 -3.856 3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.956 -2.600 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.332 -3.654 2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.877 -3.596 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.468 -3.378 4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.844 -2.144 6.112 1.00 0.00 H new ATOM 723 N GLN A 49 0.100 0.707 4.302 1.00 0.00 N ATOM 724 CA GLN A 49 -0.816 1.126 5.360 1.00 0.00 C ATOM 725 C GLN A 49 -2.127 0.339 5.335 1.00 0.00 C ATOM 726 O GLN A 49 -2.744 0.165 4.284 1.00 0.00 O ATOM 727 CB GLN A 49 -1.116 2.622 5.236 1.00 0.00 C ATOM 728 CG GLN A 49 0.119 3.479 5.015 1.00 0.00 C ATOM 729 CD GLN A 49 0.520 3.559 3.555 1.00 0.00 C ATOM 730 OE1 GLN A 49 1.609 3.130 3.174 1.00 0.00 O ATOM 731 NE2 GLN A 49 -0.360 4.112 2.729 1.00 0.00 N ATOM 0 H GLN A 49 -0.354 0.405 3.440 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.323 0.923 6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.807 2.777 4.408 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.623 2.958 6.141 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.069 4.484 5.392 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.948 3.071 5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.251 4.454 3.088 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.145 4.194 1.735 1.00 0.00 H new ATOM 740 N ALA A 50 -2.550 -0.112 6.514 1.00 0.00 N ATOM 741 CA ALA A 50 -3.795 -0.861 6.672 1.00 0.00 C ATOM 742 C ALA A 50 -4.791 -0.043 7.481 1.00 0.00 C ATOM 743 O ALA A 50 -4.416 0.942 8.107 1.00 0.00 O ATOM 744 CB ALA A 50 -3.543 -2.195 7.352 1.00 0.00 C ATOM 0 H ALA A 50 -2.040 0.031 7.386 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.208 -1.056 5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.485 -2.733 7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.853 -2.786 6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.110 -2.025 8.338 1.00 0.00 H new ATOM 750 N THR A 51 -6.059 -0.438 7.468 1.00 0.00 N ATOM 751 CA THR A 51 -7.073 0.301 8.211 1.00 0.00 C ATOM 752 C THR A 51 -6.968 0.016 9.713 1.00 0.00 C ATOM 753 O THR A 51 -6.912 -1.138 10.137 1.00 0.00 O ATOM 754 CB THR A 51 -8.467 -0.044 7.694 1.00 0.00 C ATOM 755 OG1 THR A 51 -8.769 -1.408 7.925 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.621 0.222 6.214 1.00 0.00 C ATOM 0 H THR A 51 -6.406 -1.252 6.960 1.00 0.00 H new ATOM 0 HA THR A 51 -6.900 1.366 8.058 1.00 0.00 H new ATOM 0 HB THR A 51 -9.154 0.601 8.242 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.580 -1.476 8.471 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.631 -0.041 5.900 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.442 1.278 6.014 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.901 -0.379 5.659 1.00 0.00 H new ATOM 764 N PRO A 52 -6.913 1.086 10.532 1.00 0.00 N ATOM 765 CA PRO A 52 -6.783 1.003 11.985 1.00 0.00 C ATOM 766 C PRO A 52 -8.121 1.075 12.709 1.00 0.00 C ATOM 767 O PRO A 52 -9.140 1.430 12.118 1.00 0.00 O ATOM 768 CB PRO A 52 -5.967 2.250 12.285 1.00 0.00 C ATOM 769 CG PRO A 52 -6.517 3.261 11.337 1.00 0.00 C ATOM 770 CD PRO A 52 -6.948 2.498 10.103 1.00 0.00 C ATOM 0 HA PRO A 52 -6.344 0.061 12.313 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.083 2.566 13.322 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.903 2.083 12.121 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.360 3.791 11.780 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.765 4.010 11.088 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.946 2.793 9.779 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.274 2.678 9.265 1.00 0.00 H new ATOM 778 N ALA A 53 -8.105 0.746 14.001 1.00 0.00 N ATOM 779 CA ALA A 53 -9.310 0.784 14.831 1.00 0.00 C ATOM 780 C ALA A 53 -10.130 2.058 14.598 1.00 0.00 C ATOM 781 O ALA A 53 -11.313 2.110 14.936 1.00 0.00 O ATOM 782 CB ALA A 53 -8.937 0.659 16.301 1.00 0.00 C ATOM 0 H ALA A 53 -7.265 0.448 14.498 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.934 -0.062 14.542 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.841 0.688 16.909 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.419 -0.286 16.466 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.283 1.485 16.582 1.00 0.00 H new ATOM 788 N SER A 54 -9.506 3.077 14.006 1.00 0.00 N ATOM 789 CA SER A 54 -10.192 4.333 13.716 1.00 0.00 C ATOM 790 C SER A 54 -11.358 4.079 12.787 1.00 0.00 C ATOM 791 O SER A 54 -12.376 4.770 12.826 1.00 0.00 O ATOM 792 CB SER A 54 -9.227 5.285 13.029 1.00 0.00 C ATOM 793 OG SER A 54 -8.049 5.466 13.795 1.00 0.00 O ATOM 0 H SER A 54 -8.528 3.056 13.719 1.00 0.00 H new ATOM 0 HA SER A 54 -10.551 4.765 14.650 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.967 4.895 12.045 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.713 6.248 12.872 1.00 0.00 H new ATOM 0 HG SER A 54 -7.446 6.082 13.328 1.00 0.00 H new ATOM 799 N SER A 55 -11.190 3.072 11.957 1.00 0.00 N ATOM 800 CA SER A 55 -12.207 2.685 11.003 1.00 0.00 C ATOM 801 C SER A 55 -12.330 1.171 10.922 1.00 0.00 C ATOM 802 O SER A 55 -11.362 0.479 10.604 1.00 0.00 O ATOM 803 CB SER A 55 -11.857 3.247 9.632 1.00 0.00 C ATOM 804 OG SER A 55 -12.698 4.338 9.299 1.00 0.00 O ATOM 0 H SER A 55 -10.346 2.500 11.924 1.00 0.00 H new ATOM 0 HA SER A 55 -13.164 3.088 11.334 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.816 3.570 9.623 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.955 2.465 8.879 1.00 0.00 H new ATOM 0 HG SER A 55 -12.593 5.048 9.966 1.00 0.00 H new ATOM 810 N GLU A 56 -13.530 0.657 11.179 1.00 0.00 N ATOM 811 CA GLU A 56 -13.768 -0.779 11.097 1.00 0.00 C ATOM 812 C GLU A 56 -13.419 -1.282 9.696 1.00 0.00 C ATOM 813 O GLU A 56 -13.247 -2.481 9.474 1.00 0.00 O ATOM 814 CB GLU A 56 -15.228 -1.100 11.422 1.00 0.00 C ATOM 815 CG GLU A 56 -15.652 -0.658 12.814 1.00 0.00 C ATOM 816 CD GLU A 56 -17.084 -1.038 13.134 1.00 0.00 C ATOM 817 OE1 GLU A 56 -17.303 -2.165 13.628 1.00 0.00 O ATOM 818 OE2 GLU A 56 -17.987 -0.210 12.891 1.00 0.00 O ATOM 0 H GLU A 56 -14.346 1.209 11.444 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.134 -1.282 11.827 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.870 -0.618 10.685 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.385 -2.174 11.327 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.987 -1.107 13.552 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.539 0.423 12.898 1.00 0.00 H new ATOM 825 N LYS A 57 -13.311 -0.339 8.759 1.00 0.00 N ATOM 826 CA LYS A 57 -12.976 -0.636 7.374 1.00 0.00 C ATOM 827 C LYS A 57 -11.817 -1.625 7.280 1.00 0.00 C ATOM 828 O LYS A 57 -11.162 -1.929 8.277 1.00 0.00 O ATOM 829 CB LYS A 57 -12.611 0.662 6.645 1.00 0.00 C ATOM 830 CG LYS A 57 -13.816 1.500 6.249 1.00 0.00 C ATOM 831 CD LYS A 57 -14.537 2.061 7.464 1.00 0.00 C ATOM 832 CE LYS A 57 -15.346 3.299 7.113 1.00 0.00 C ATOM 833 NZ LYS A 57 -16.434 3.550 8.098 1.00 0.00 N ATOM 0 H LYS A 57 -13.455 0.654 8.944 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.847 -1.093 6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.960 1.257 7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.040 0.417 5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.494 2.320 5.607 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.507 0.891 5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.198 1.300 7.879 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.810 2.308 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.685 4.165 7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.777 3.181 6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.962 4.403 7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.079 2.735 8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.022 3.688 9.043 1.00 0.00 H new ATOM 847 N MET A 58 -11.572 -2.119 6.074 1.00 0.00 N ATOM 848 CA MET A 58 -10.495 -3.071 5.837 1.00 0.00 C ATOM 849 C MET A 58 -9.890 -2.853 4.456 1.00 0.00 C ATOM 850 O MET A 58 -10.505 -3.180 3.442 1.00 0.00 O ATOM 851 CB MET A 58 -11.021 -4.501 5.955 1.00 0.00 C ATOM 852 CG MET A 58 -12.290 -4.747 5.160 1.00 0.00 C ATOM 853 SD MET A 58 -13.784 -4.389 6.099 1.00 0.00 S ATOM 854 CE MET A 58 -15.011 -5.186 5.070 1.00 0.00 C ATOM 0 H MET A 58 -12.107 -1.875 5.241 1.00 0.00 H new ATOM 0 HA MET A 58 -9.721 -2.914 6.589 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.250 -5.192 5.616 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.210 -4.725 7.005 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.275 -4.131 4.261 1.00 0.00 H new ATOM 0 HG3 MET A 58 -12.312 -5.787 4.833 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.005 -4.996 5.475 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.950 -4.788 4.057 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.827 -6.260 5.050 1.00 0.00 H new ATOM 864 N MET A 59 -8.689 -2.289 4.416 1.00 0.00 N ATOM 865 CA MET A 59 -8.029 -2.026 3.147 1.00 0.00 C ATOM 866 C MET A 59 -6.549 -1.701 3.338 1.00 0.00 C ATOM 867 O MET A 59 -6.148 -1.164 4.371 1.00 0.00 O ATOM 868 CB MET A 59 -8.739 -0.874 2.430 1.00 0.00 C ATOM 869 CG MET A 59 -8.507 0.480 3.078 1.00 0.00 C ATOM 870 SD MET A 59 -10.036 1.269 3.629 1.00 0.00 S ATOM 871 CE MET A 59 -9.435 2.875 4.163 1.00 0.00 C ATOM 0 H MET A 59 -8.158 -2.008 5.240 1.00 0.00 H new ATOM 0 HA MET A 59 -8.088 -2.928 2.538 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.398 -0.836 1.395 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.810 -1.077 2.405 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.839 0.359 3.931 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.002 1.135 2.368 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.677 3.023 5.215 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.354 2.922 4.030 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.908 3.657 3.569 1.00 0.00 H new ATOM 881 N LEU A 60 -5.745 -2.029 2.330 1.00 0.00 N ATOM 882 CA LEU A 60 -4.310 -1.772 2.375 1.00 0.00 C ATOM 883 C LEU A 60 -3.900 -0.798 1.270 1.00 0.00 C ATOM 884 O LEU A 60 -4.398 -0.873 0.148 1.00 0.00 O ATOM 885 CB LEU A 60 -3.529 -3.084 2.238 1.00 0.00 C ATOM 886 CG LEU A 60 -3.824 -4.133 3.316 1.00 0.00 C ATOM 887 CD1 LEU A 60 -2.895 -5.332 3.173 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.693 -3.524 4.702 1.00 0.00 C ATOM 0 H LEU A 60 -6.065 -2.475 1.470 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.074 -1.320 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.747 -3.518 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.463 -2.858 2.256 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.850 -4.477 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.123 -6.063 3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.036 -5.787 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.860 -5.005 3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.906 -4.283 5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.679 -3.150 4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.400 -2.701 4.806 1.00 0.00 H new ATOM 900 N ARG A 61 -2.989 0.114 1.598 1.00 0.00 N ATOM 901 CA ARG A 61 -2.506 1.108 0.640 1.00 0.00 C ATOM 902 C ARG A 61 -1.003 0.947 0.421 1.00 0.00 C ATOM 903 O ARG A 61 -0.228 0.920 1.376 1.00 0.00 O ATOM 904 CB ARG A 61 -2.812 2.521 1.155 1.00 0.00 C ATOM 905 CG ARG A 61 -2.120 3.638 0.382 1.00 0.00 C ATOM 906 CD ARG A 61 -2.892 4.020 -0.871 1.00 0.00 C ATOM 907 NE ARG A 61 -3.338 5.411 -0.834 1.00 0.00 N ATOM 908 CZ ARG A 61 -3.709 6.099 -1.912 1.00 0.00 C ATOM 909 NH1 ARG A 61 -3.691 5.530 -3.110 1.00 0.00 N ATOM 910 NH2 ARG A 61 -4.100 7.360 -1.790 1.00 0.00 N ATOM 0 H ARG A 61 -2.568 0.186 2.524 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.016 0.956 -0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.889 2.683 1.117 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.517 2.584 2.202 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.014 4.512 1.024 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.114 3.320 0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.262 3.864 -1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.756 3.365 -0.979 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.367 5.882 0.070 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.392 4.560 -3.209 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.976 6.062 -3.932 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.116 7.802 -0.871 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.384 7.888 -2.615 1.00 0.00 H new ATOM 924 N LEU A 62 -0.598 0.844 -0.840 1.00 0.00 N ATOM 925 CA LEU A 62 0.813 0.692 -1.177 1.00 0.00 C ATOM 926 C LEU A 62 1.262 1.801 -2.123 1.00 0.00 C ATOM 927 O LEU A 62 0.634 2.040 -3.155 1.00 0.00 O ATOM 928 CB LEU A 62 1.068 -0.677 -1.816 1.00 0.00 C ATOM 929 CG LEU A 62 0.375 -1.859 -1.131 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.605 -1.821 0.373 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.113 -1.861 -1.445 1.00 0.00 C ATOM 0 H LEU A 62 -1.225 0.863 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 62 1.392 0.763 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.744 -0.640 -2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.142 -0.862 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 62 0.809 -2.780 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.104 -2.669 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.674 -1.873 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.202 -0.893 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.588 -2.708 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.561 -0.934 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.257 -1.943 -2.522 1.00 0.00 H new ATOM 943 N ILE A 63 2.347 2.481 -1.764 1.00 0.00 N ATOM 944 CA ILE A 63 2.868 3.569 -2.584 1.00 0.00 C ATOM 945 C ILE A 63 4.140 3.147 -3.318 1.00 0.00 C ATOM 946 O ILE A 63 5.177 2.907 -2.700 1.00 0.00 O ATOM 947 CB ILE A 63 3.143 4.827 -1.731 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.832 5.550 -1.432 1.00 0.00 C ATOM 949 CG2 ILE A 63 4.118 5.771 -2.420 1.00 0.00 C ATOM 950 CD1 ILE A 63 1.464 5.521 0.027 1.00 0.00 C ATOM 0 H ILE A 63 2.880 2.299 -0.914 1.00 0.00 H new ATOM 0 HA ILE A 63 2.105 3.811 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 63 3.601 4.504 -0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.912 6.586 -1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.031 5.093 -2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.286 6.644 -1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.064 5.257 -2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.702 6.089 -3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.523 6.051 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.354 4.487 0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.248 6.004 0.610 1.00 0.00 H new ATOM 962 N GLY A 64 4.047 3.060 -4.641 1.00 0.00 N ATOM 963 CA GLY A 64 5.188 2.668 -5.447 1.00 0.00 C ATOM 964 C GLY A 64 6.283 3.719 -5.468 1.00 0.00 C ATOM 965 O GLY A 64 6.336 4.550 -6.374 1.00 0.00 O ATOM 0 H GLY A 64 3.198 3.255 -5.171 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.595 1.733 -5.061 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.857 2.475 -6.467 1.00 0.00 H new ATOM 1311 N ARG A 86 0.564 5.938 -6.637 1.00 0.00 N ATOM 1312 CA ARG A 86 0.101 5.182 -5.481 1.00 0.00 C ATOM 1313 C ARG A 86 -1.171 4.410 -5.813 1.00 0.00 C ATOM 1314 O ARG A 86 -1.863 4.723 -6.781 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.155 6.121 -4.301 1.00 0.00 C ATOM 1316 CG ARG A 86 0.954 7.137 -4.081 1.00 0.00 C ATOM 1317 CD ARG A 86 0.548 8.193 -3.066 1.00 0.00 C ATOM 1318 NE ARG A 86 1.706 8.837 -2.452 1.00 0.00 N ATOM 1319 CZ ARG A 86 1.639 9.605 -1.367 1.00 0.00 C ATOM 1320 NH1 ARG A 86 0.473 9.825 -0.772 1.00 0.00 N ATOM 1321 NH2 ARG A 86 2.741 10.154 -0.874 1.00 0.00 N ATOM 0 HA ARG A 86 0.879 4.469 -5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.094 6.650 -4.465 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.278 5.528 -3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.854 6.627 -3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.202 7.617 -5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.069 8.947 -3.555 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.065 7.733 -2.290 1.00 0.00 H new ATOM 0 HE ARG A 86 2.620 8.690 -2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.378 9.405 -1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.428 10.414 0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.640 9.988 -1.326 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.690 10.743 -0.043 1.00 0.00 H new ATOM 1335 N HIS A 87 -1.475 3.401 -5.004 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.667 2.589 -5.217 1.00 0.00 C ATOM 1337 C HIS A 87 -3.291 2.176 -3.889 1.00 0.00 C ATOM 1338 O HIS A 87 -2.599 1.740 -2.970 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.337 1.347 -6.053 1.00 0.00 C ATOM 1340 CG HIS A 87 -0.930 0.859 -5.889 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.058 1.085 -6.824 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.349 0.154 -4.892 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.187 0.539 -6.408 1.00 0.00 C ATOM 1344 NE2 HIS A 87 0.967 -0.032 -5.239 1.00 0.00 N ATOM 0 H HIS A 87 -0.914 3.127 -4.197 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.389 3.196 -5.764 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.023 0.545 -5.780 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.512 1.572 -7.105 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -0.064 1.594 -7.700 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.830 -0.197 -3.991 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.129 0.557 -6.935 1.00 0.00 H new ATOM 1353 N MET A 88 -4.607 2.318 -3.804 1.00 0.00 N ATOM 1354 CA MET A 88 -5.349 1.965 -2.599 1.00 0.00 C ATOM 1355 C MET A 88 -6.042 0.620 -2.778 1.00 0.00 C ATOM 1356 O MET A 88 -6.976 0.493 -3.570 1.00 0.00 O ATOM 1357 CB MET A 88 -6.387 3.044 -2.297 1.00 0.00 C ATOM 1358 CG MET A 88 -6.558 3.336 -0.818 1.00 0.00 C ATOM 1359 SD MET A 88 -7.725 2.220 -0.011 1.00 0.00 S ATOM 1360 CE MET A 88 -8.183 3.163 1.449 1.00 0.00 C ATOM 0 H MET A 88 -5.187 2.678 -4.562 1.00 0.00 H new ATOM 0 HA MET A 88 -4.650 1.892 -1.766 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.100 3.963 -2.808 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.348 2.736 -2.710 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.590 3.260 -0.324 1.00 0.00 H new ATOM 0 HG3 MET A 88 -6.900 4.363 -0.693 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.215 2.937 1.719 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.525 2.896 2.276 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.088 4.228 1.239 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.583 -0.379 -2.039 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.165 -1.711 -2.118 1.00 0.00 C ATOM 1372 C PHE A 89 -7.238 -1.877 -1.053 1.00 0.00 C ATOM 1373 O PHE A 89 -6.992 -1.626 0.124 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.079 -2.773 -1.952 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.990 -3.705 -3.121 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.115 -4.375 -3.570 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.787 -3.903 -3.776 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.043 -5.227 -4.652 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.708 -4.757 -4.858 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.838 -5.418 -5.296 1.00 0.00 C ATOM 0 H PHE A 89 -4.810 -0.293 -1.379 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.625 -1.837 -3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.116 -2.282 -1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.277 -3.350 -1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.060 -4.229 -3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.902 -3.385 -3.438 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.928 -5.743 -4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.764 -4.908 -5.361 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.779 -6.085 -6.143 1.00 0.00 H new ATOM 1390 N SER A 90 -8.435 -2.277 -1.473 1.00 0.00 N ATOM 1391 CA SER A 90 -9.544 -2.442 -0.545 1.00 0.00 C ATOM 1392 C SER A 90 -10.248 -3.778 -0.731 1.00 0.00 C ATOM 1393 O SER A 90 -10.628 -4.144 -1.843 1.00 0.00 O ATOM 1394 CB SER A 90 -10.551 -1.313 -0.741 1.00 0.00 C ATOM 1395 OG SER A 90 -11.297 -1.079 0.441 1.00 0.00 O ATOM 0 H SER A 90 -8.659 -2.491 -2.445 1.00 0.00 H new ATOM 0 HA SER A 90 -9.134 -2.414 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.027 -0.402 -1.030 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.228 -1.564 -1.557 1.00 0.00 H new ATOM 0 HG SER A 90 -11.933 -0.350 0.287 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.441 -4.490 0.373 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.127 -5.773 0.340 1.00 0.00 C ATOM 1403 C PHE A 91 -12.215 -5.814 1.405 1.00 0.00 C ATOM 1404 O PHE A 91 -12.302 -4.924 2.250 1.00 0.00 O ATOM 1405 CB PHE A 91 -10.160 -6.954 0.523 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.754 -6.596 0.930 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.985 -5.721 0.176 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.190 -7.172 2.055 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.688 -5.424 0.545 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -6.893 -6.884 2.422 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.141 -6.008 1.668 1.00 0.00 C ATOM 0 H PHE A 91 -10.132 -4.200 1.301 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.580 -5.874 -0.646 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.575 -7.626 1.274 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.116 -7.511 -0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.406 -5.267 -0.709 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.774 -7.856 2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.102 -4.735 -0.045 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.466 -7.345 3.300 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.126 -5.780 1.956 1.00 0.00 H new ATOM 1421 N ASN A 92 -13.049 -6.845 1.356 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.135 -6.993 2.315 1.00 0.00 C ATOM 1423 C ASN A 92 -13.730 -7.912 3.460 1.00 0.00 C ATOM 1424 O ASN A 92 -14.569 -8.594 4.048 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.383 -7.543 1.623 1.00 0.00 C ATOM 1426 CG ASN A 92 -16.087 -6.496 0.782 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.951 -5.768 1.273 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.722 -6.415 -0.492 1.00 0.00 N ATOM 0 H ASN A 92 -12.994 -7.591 0.662 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.359 -6.008 2.726 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.103 -8.385 0.990 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.073 -7.925 2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.162 -5.730 -1.106 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.002 -7.038 -0.857 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.438 -7.930 3.771 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.930 -8.773 4.846 1.00 0.00 C ATOM 1437 C ASN A 93 -11.065 -7.985 5.821 1.00 0.00 C ATOM 1438 O ASN A 93 -10.030 -7.437 5.446 1.00 0.00 O ATOM 1439 CB ASN A 93 -11.133 -9.945 4.271 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.971 -10.824 3.363 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -12.125 -10.540 2.175 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -12.517 -11.899 3.919 1.00 0.00 N ATOM 0 H ASN A 93 -11.727 -7.373 3.296 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.790 -9.156 5.396 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.279 -9.561 3.713 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.736 -10.546 5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.091 -12.528 3.357 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -12.363 -12.096 4.908 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.495 -7.949 7.080 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.760 -7.245 8.125 1.00 0.00 C ATOM 1451 C ARG A 94 -9.709 -8.159 8.743 1.00 0.00 C ATOM 1452 O ARG A 94 -8.649 -7.705 9.174 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.718 -6.749 9.211 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.921 -5.997 8.669 1.00 0.00 C ATOM 1455 CD ARG A 94 -14.054 -5.953 9.681 1.00 0.00 C ATOM 1456 NE ARG A 94 -15.028 -7.020 9.458 1.00 0.00 N ATOM 1457 CZ ARG A 94 -16.063 -7.257 10.261 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -16.263 -6.507 11.338 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -16.902 -8.247 9.985 1.00 0.00 N ATOM 0 H ARG A 94 -12.351 -8.401 7.401 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.262 -6.387 7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.066 -7.602 9.793 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.172 -6.099 9.895 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.628 -4.981 8.406 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.268 -6.476 7.753 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -13.645 -6.040 10.688 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.555 -4.987 9.623 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.908 -7.617 8.640 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -15.622 -5.744 11.554 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -17.058 -6.694 11.949 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -16.754 -8.826 9.158 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -17.695 -8.429 10.600 1.00 0.00 H new ATOM 1473 N THR A 95 -10.011 -9.454 8.776 1.00 0.00 N ATOM 1474 CA THR A 95 -9.094 -10.439 9.333 1.00 0.00 C ATOM 1475 C THR A 95 -7.938 -10.689 8.371 1.00 0.00 C ATOM 1476 O THR A 95 -6.775 -10.719 8.772 1.00 0.00 O ATOM 1477 CB THR A 95 -9.844 -11.745 9.637 1.00 0.00 C ATOM 1478 OG1 THR A 95 -9.360 -12.334 10.830 1.00 0.00 O ATOM 1479 CG2 THR A 95 -9.748 -12.789 8.540 1.00 0.00 C ATOM 0 H THR A 95 -10.885 -9.844 8.423 1.00 0.00 H new ATOM 0 HA THR A 95 -8.683 -10.053 10.266 1.00 0.00 H new ATOM 0 HB THR A 95 -10.889 -11.448 9.728 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.851 -13.163 11.008 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.304 -13.679 8.835 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.168 -12.387 7.618 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.703 -13.052 8.378 1.00 0.00 H new ATOM 1487 N VAL A 96 -8.274 -10.861 7.098 1.00 0.00 N ATOM 1488 CA VAL A 96 -7.271 -11.100 6.068 1.00 0.00 C ATOM 1489 C VAL A 96 -6.261 -9.962 6.025 1.00 0.00 C ATOM 1490 O VAL A 96 -5.067 -10.170 6.241 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.910 -11.247 4.672 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.854 -11.593 3.631 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -9.011 -12.295 4.692 1.00 0.00 C ATOM 0 H VAL A 96 -9.234 -10.839 6.754 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.770 -12.033 6.327 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.357 -10.291 4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.326 -11.692 2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.106 -10.801 3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.373 -12.534 3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.448 -12.383 3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.593 -13.256 4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.783 -11.999 5.403 1.00 0.00 H new ATOM 1503 N MET A 97 -6.750 -8.758 5.739 1.00 0.00 N ATOM 1504 CA MET A 97 -5.889 -7.578 5.659 1.00 0.00 C ATOM 1505 C MET A 97 -4.884 -7.517 6.812 1.00 0.00 C ATOM 1506 O MET A 97 -3.677 -7.433 6.589 1.00 0.00 O ATOM 1507 CB MET A 97 -6.737 -6.307 5.653 1.00 0.00 C ATOM 1508 CG MET A 97 -7.803 -6.278 6.735 1.00 0.00 C ATOM 1509 SD MET A 97 -7.390 -5.155 8.080 1.00 0.00 S ATOM 1510 CE MET A 97 -7.063 -3.660 7.153 1.00 0.00 C ATOM 0 H MET A 97 -7.737 -8.572 5.559 1.00 0.00 H new ATOM 0 HA MET A 97 -5.326 -7.653 4.729 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.083 -5.444 5.777 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.217 -6.206 4.680 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.754 -5.979 6.295 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.939 -7.283 7.134 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.895 -2.833 7.843 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.177 -3.802 6.534 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.918 -3.433 6.516 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.390 -7.548 8.039 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.538 -7.484 9.222 1.00 0.00 C ATOM 1522 C ASP A 98 -3.535 -8.634 9.255 1.00 0.00 C ATOM 1523 O ASP A 98 -2.508 -8.550 9.927 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.394 -7.506 10.490 1.00 0.00 C ATOM 1525 CG ASP A 98 -4.672 -6.915 11.685 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -3.856 -7.634 12.299 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -4.923 -5.735 12.007 1.00 0.00 O ATOM 0 H ASP A 98 -6.387 -7.617 8.242 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.978 -6.550 9.176 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.314 -6.950 10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.681 -8.534 10.714 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.841 -9.710 8.539 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.963 -10.875 8.506 1.00 0.00 C ATOM 1534 C ASN A 99 -1.894 -10.744 7.425 1.00 0.00 C ATOM 1535 O ASN A 99 -0.781 -11.245 7.584 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.781 -12.147 8.275 1.00 0.00 C ATOM 1537 CG ASN A 99 -4.412 -12.667 9.551 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -4.339 -12.026 10.600 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -5.038 -13.836 9.468 1.00 0.00 N ATOM 0 H ASN A 99 -4.686 -9.800 7.976 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.460 -10.936 9.471 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.562 -11.945 7.542 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -3.137 -12.918 7.851 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -5.483 -14.236 10.294 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -5.074 -14.333 8.578 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.232 -10.080 6.324 1.00 0.00 N ATOM 1547 CA ILE A 100 -1.284 -9.910 5.230 1.00 0.00 C ATOM 1548 C ILE A 100 -0.404 -8.677 5.424 1.00 0.00 C ATOM 1549 O ILE A 100 0.815 -8.753 5.271 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.991 -9.823 3.864 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.958 -9.853 2.738 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.842 -8.568 3.779 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.546 -9.597 1.368 1.00 0.00 C ATOM 0 H ILE A 100 -3.146 -9.655 6.167 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.651 -10.797 5.241 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.650 -10.684 3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.191 -9.105 2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.464 -10.824 2.736 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.332 -8.526 2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.597 -8.586 4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.209 -7.690 3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.754 -9.634 0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.292 -10.359 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.016 -8.613 1.352 1.00 0.00 H new ATOM 1565 N LYS A 101 -1.014 -7.541 5.761 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.255 -6.318 5.969 1.00 0.00 C ATOM 1567 C LYS A 101 0.741 -6.509 7.101 1.00 0.00 C ATOM 1568 O LYS A 101 1.887 -6.071 7.015 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.185 -5.146 6.281 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.483 -3.799 6.250 1.00 0.00 C ATOM 1571 CD LYS A 101 0.086 -3.438 7.612 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.009 -3.043 8.589 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.580 -3.206 10.006 1.00 0.00 N ATOM 0 H LYS A 101 -2.021 -7.446 5.894 1.00 0.00 H new ATOM 0 HA LYS A 101 0.286 -6.090 5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.003 -5.138 5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.628 -5.295 7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.320 -3.823 5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.185 -3.028 5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.642 -4.286 8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.793 -2.615 7.505 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.294 -2.006 8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.894 -3.652 8.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.132 -3.967 10.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.431 -3.448 10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.739 -2.317 10.521 1.00 0.00 H new ATOM 1587 N MET A 102 0.297 -7.178 8.160 1.00 0.00 N ATOM 1588 CA MET A 102 1.154 -7.443 9.312 1.00 0.00 C ATOM 1589 C MET A 102 2.498 -7.996 8.851 1.00 0.00 C ATOM 1590 O MET A 102 3.537 -7.723 9.452 1.00 0.00 O ATOM 1591 CB MET A 102 0.478 -8.429 10.266 1.00 0.00 C ATOM 1592 CG MET A 102 1.316 -8.764 11.490 1.00 0.00 C ATOM 1593 SD MET A 102 0.802 -7.848 12.956 1.00 0.00 S ATOM 1594 CE MET A 102 0.221 -9.182 14.001 1.00 0.00 C ATOM 0 H MET A 102 -0.650 -7.547 8.245 1.00 0.00 H new ATOM 0 HA MET A 102 1.321 -6.506 9.843 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.475 -8.011 10.592 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.255 -9.349 9.726 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.247 -9.833 11.691 1.00 0.00 H new ATOM 0 HG3 MET A 102 2.363 -8.547 11.279 1.00 0.00 H new ATOM 0 HE1 MET A 102 -0.131 -8.775 14.949 1.00 0.00 H new ATOM 0 HE2 MET A 102 -0.597 -9.704 13.504 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.037 -9.880 14.187 1.00 0.00 H new ATOM 1604 N THR A 103 2.463 -8.764 7.767 1.00 0.00 N ATOM 1605 CA THR A 103 3.671 -9.349 7.202 1.00 0.00 C ATOM 1606 C THR A 103 4.473 -8.288 6.455 1.00 0.00 C ATOM 1607 O THR A 103 5.703 -8.280 6.492 1.00 0.00 O ATOM 1608 CB THR A 103 3.310 -10.495 6.254 1.00 0.00 C ATOM 1609 OG1 THR A 103 2.572 -11.494 6.935 1.00 0.00 O ATOM 1610 CG2 THR A 103 4.518 -11.162 5.632 1.00 0.00 C ATOM 0 H THR A 103 1.608 -8.996 7.262 1.00 0.00 H new ATOM 0 HA THR A 103 4.280 -9.742 8.016 1.00 0.00 H new ATOM 0 HB THR A 103 2.719 -10.038 5.460 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.349 -12.217 6.313 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.191 -11.965 4.972 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.084 -10.428 5.058 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.151 -11.574 6.418 1.00 0.00 H new ATOM 1618 N LEU A 104 3.760 -7.392 5.778 1.00 0.00 N ATOM 1619 CA LEU A 104 4.393 -6.319 5.020 1.00 0.00 C ATOM 1620 C LEU A 104 4.936 -5.241 5.952 1.00 0.00 C ATOM 1621 O LEU A 104 6.103 -4.863 5.861 1.00 0.00 O ATOM 1622 CB LEU A 104 3.389 -5.702 4.041 1.00 0.00 C ATOM 1623 CG LEU A 104 3.221 -6.422 2.693 1.00 0.00 C ATOM 1624 CD1 LEU A 104 3.705 -5.539 1.553 1.00 0.00 C ATOM 1625 CD2 LEU A 104 3.953 -7.760 2.675 1.00 0.00 C ATOM 0 H LEU A 104 2.741 -7.389 5.739 1.00 0.00 H new ATOM 0 HA LEU A 104 5.227 -6.744 4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.416 -5.660 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.691 -4.673 3.844 1.00 0.00 H new ATOM 0 HG LEU A 104 2.158 -6.623 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.579 -6.065 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.125 -4.616 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.759 -5.302 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.811 -8.239 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.017 -7.595 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.555 -8.403 3.460 1.00 0.00 H new ATOM 1637 N GLN A 105 4.080 -4.750 6.847 1.00 0.00 N ATOM 1638 CA GLN A 105 4.468 -3.711 7.801 1.00 0.00 C ATOM 1639 C GLN A 105 5.855 -3.983 8.372 1.00 0.00 C ATOM 1640 O GLN A 105 6.684 -3.079 8.475 1.00 0.00 O ATOM 1641 CB GLN A 105 3.446 -3.624 8.935 1.00 0.00 C ATOM 1642 CG GLN A 105 3.376 -2.252 9.584 1.00 0.00 C ATOM 1643 CD GLN A 105 2.378 -1.336 8.903 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.637 -0.814 7.818 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.230 -1.134 9.539 1.00 0.00 N ATOM 0 H GLN A 105 3.111 -5.056 6.932 1.00 0.00 H new ATOM 0 HA GLN A 105 4.495 -2.759 7.270 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.461 -3.884 8.547 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.695 -4.365 9.695 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.104 -2.364 10.634 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.363 -1.791 9.558 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.058 -1.587 10.436 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.521 -0.526 9.130 1.00 0.00 H new ATOM 1654 N GLN A 106 6.103 -5.237 8.729 1.00 0.00 N ATOM 1655 CA GLN A 106 7.395 -5.629 9.274 1.00 0.00 C ATOM 1656 C GLN A 106 8.480 -5.473 8.217 1.00 0.00 C ATOM 1657 O GLN A 106 9.567 -4.968 8.497 1.00 0.00 O ATOM 1658 CB GLN A 106 7.349 -7.075 9.772 1.00 0.00 C ATOM 1659 CG GLN A 106 6.452 -7.273 10.982 1.00 0.00 C ATOM 1660 CD GLN A 106 6.496 -8.692 11.515 1.00 0.00 C ATOM 1661 OE1 GLN A 106 7.364 -9.481 11.141 1.00 0.00 O ATOM 1662 NE2 GLN A 106 5.557 -9.024 12.393 1.00 0.00 N ATOM 0 H GLN A 106 5.428 -5.998 8.651 1.00 0.00 H new ATOM 0 HA GLN A 106 7.628 -4.978 10.117 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.002 -7.718 8.963 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.360 -7.396 10.023 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.754 -6.583 11.770 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.426 -7.021 10.714 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.857 -8.338 12.675 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.536 -9.965 12.786 1.00 0.00 H new ATOM 1671 N ILE A 107 8.173 -5.904 6.997 1.00 0.00 N ATOM 1672 CA ILE A 107 9.109 -5.809 5.895 1.00 0.00 C ATOM 1673 C ILE A 107 9.402 -4.354 5.554 1.00 0.00 C ATOM 1674 O ILE A 107 10.547 -3.920 5.606 1.00 0.00 O ATOM 1675 CB ILE A 107 8.568 -6.557 4.655 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.260 -7.906 4.537 1.00 0.00 C ATOM 1677 CG2 ILE A 107 8.753 -5.749 3.377 1.00 0.00 C ATOM 1678 CD1 ILE A 107 8.565 -8.865 3.591 1.00 0.00 C ATOM 0 H ILE A 107 7.276 -6.324 6.752 1.00 0.00 H new ATOM 0 HA ILE A 107 10.042 -6.280 6.203 1.00 0.00 H new ATOM 0 HB ILE A 107 7.496 -6.704 4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.284 -7.751 4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.319 -8.362 5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.359 -6.312 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.219 -4.803 3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.814 -5.553 3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.115 -9.806 3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.550 -9.050 3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.530 -8.430 2.592 1.00 0.00 H new ATOM 1690 N ILE A 108 8.364 -3.603 5.207 1.00 0.00 N ATOM 1691 CA ILE A 108 8.541 -2.197 4.863 1.00 0.00 C ATOM 1692 C ILE A 108 9.259 -1.461 5.978 1.00 0.00 C ATOM 1693 O ILE A 108 10.004 -0.513 5.738 1.00 0.00 O ATOM 1694 CB ILE A 108 7.206 -1.479 4.584 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.239 -2.384 3.819 1.00 0.00 C ATOM 1696 CG2 ILE A 108 7.467 -0.197 3.809 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.819 -2.954 2.542 1.00 0.00 C ATOM 0 H ILE A 108 7.402 -3.938 5.156 1.00 0.00 H new ATOM 0 HA ILE A 108 9.135 -2.182 3.950 1.00 0.00 H new ATOM 0 HB ILE A 108 6.739 -1.232 5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.934 -3.205 4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.339 -1.818 3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.521 0.309 3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.114 0.457 4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 108 7.953 -0.436 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.076 -3.585 2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.098 -2.139 1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.702 -3.549 2.777 1.00 0.00 H new ATOM 1709 N SER A 109 9.033 -1.917 7.198 1.00 0.00 N ATOM 1710 CA SER A 109 9.658 -1.322 8.366 1.00 0.00 C ATOM 1711 C SER A 109 11.159 -1.588 8.358 1.00 0.00 C ATOM 1712 O SER A 109 11.939 -0.830 8.933 1.00 0.00 O ATOM 1713 CB SER A 109 9.025 -1.882 9.638 1.00 0.00 C ATOM 1714 OG SER A 109 9.660 -1.371 10.797 1.00 0.00 O ATOM 0 H SER A 109 8.417 -2.703 7.406 1.00 0.00 H new ATOM 0 HA SER A 109 9.500 -0.244 8.340 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.965 -1.630 9.661 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.094 -2.970 9.633 1.00 0.00 H new ATOM 0 HG SER A 109 9.233 -1.745 11.596 1.00 0.00 H new ATOM 1720 N ARG A 110 11.556 -2.667 7.689 1.00 0.00 N ATOM 1721 CA ARG A 110 12.962 -3.030 7.591 1.00 0.00 C ATOM 1722 C ARG A 110 13.522 -2.605 6.235 1.00 0.00 C ATOM 1723 O ARG A 110 14.593 -2.003 6.157 1.00 0.00 O ATOM 1724 CB ARG A 110 13.140 -4.540 7.816 1.00 0.00 C ATOM 1725 CG ARG A 110 13.201 -5.367 6.539 1.00 0.00 C ATOM 1726 CD ARG A 110 13.374 -6.848 6.839 1.00 0.00 C ATOM 1727 NE ARG A 110 14.489 -7.430 6.095 1.00 0.00 N ATOM 1728 CZ ARG A 110 15.765 -7.296 6.446 1.00 0.00 C ATOM 1729 NH1 ARG A 110 16.094 -6.601 7.528 1.00 0.00 N ATOM 1730 NH2 ARG A 110 16.717 -7.858 5.713 1.00 0.00 N ATOM 0 H ARG A 110 10.922 -3.304 7.207 1.00 0.00 H new ATOM 0 HA ARG A 110 13.519 -2.506 8.368 1.00 0.00 H new ATOM 0 HB2 ARG A 110 14.056 -4.704 8.384 1.00 0.00 H new ATOM 0 HB3 ARG A 110 12.315 -4.903 8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.288 -5.216 5.963 1.00 0.00 H new ATOM 0 HG3 ARG A 110 14.029 -5.021 5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 110 13.540 -6.985 7.908 1.00 0.00 H new ATOM 0 HD3 ARG A 110 12.455 -7.378 6.589 1.00 0.00 H new ATOM 0 HE ARG A 110 14.276 -7.971 5.257 1.00 0.00 H new ATOM 0 HH11 ARG A 110 15.367 -6.166 8.096 1.00 0.00 H new ATOM 0 HH12 ARG A 110 17.074 -6.502 7.792 1.00 0.00 H new ATOM 0 HH21 ARG A 110 16.471 -8.393 4.880 1.00 0.00 H new ATOM 0 HH22 ARG A 110 17.695 -7.755 5.982 1.00 0.00 H new ATOM 1744 N TYR A 111 12.785 -2.912 5.168 1.00 0.00 N ATOM 1745 CA TYR A 111 13.209 -2.548 3.823 1.00 0.00 C ATOM 1746 C TYR A 111 13.358 -1.035 3.692 1.00 0.00 C ATOM 1747 O TYR A 111 14.089 -0.545 2.833 1.00 0.00 O ATOM 1748 CB TYR A 111 12.205 -3.066 2.790 1.00 0.00 C ATOM 1749 CG TYR A 111 12.528 -4.446 2.259 1.00 0.00 C ATOM 1750 CD1 TYR A 111 13.163 -5.391 3.056 1.00 0.00 C ATOM 1751 CD2 TYR A 111 12.195 -4.803 0.959 1.00 0.00 C ATOM 1752 CE1 TYR A 111 13.458 -6.651 2.572 1.00 0.00 C ATOM 1753 CE2 TYR A 111 12.486 -6.062 0.468 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.118 -6.982 1.278 1.00 0.00 C ATOM 1755 OH TYR A 111 13.410 -8.236 0.792 1.00 0.00 O ATOM 0 H TYR A 111 11.896 -3.410 5.212 1.00 0.00 H new ATOM 0 HA TYR A 111 14.179 -3.009 3.637 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.212 -3.084 3.240 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.164 -2.367 1.955 1.00 0.00 H new ATOM 0 HD1 TYR A 111 13.430 -5.136 4.071 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.701 -4.085 0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.953 -7.373 3.205 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.220 -6.324 -0.545 1.00 0.00 H new ATOM 0 HH TYR A 111 13.395 -8.884 1.527 1.00 0.00 H new ATOM 1765 N LYS A 112 12.660 -0.301 4.552 1.00 0.00 N ATOM 1766 CA LYS A 112 12.714 1.155 4.540 1.00 0.00 C ATOM 1767 C LYS A 112 14.097 1.650 4.952 1.00 0.00 C ATOM 1768 O LYS A 112 14.712 2.463 4.263 1.00 0.00 O ATOM 1769 CB LYS A 112 11.661 1.722 5.491 1.00 0.00 C ATOM 1770 CG LYS A 112 10.332 2.029 4.823 1.00 0.00 C ATOM 1771 CD LYS A 112 10.275 3.464 4.326 1.00 0.00 C ATOM 1772 CE LYS A 112 10.485 4.454 5.459 1.00 0.00 C ATOM 1773 NZ LYS A 112 10.004 5.818 5.104 1.00 0.00 N ATOM 0 H LYS A 112 12.048 -0.693 5.268 1.00 0.00 H new ATOM 0 HA LYS A 112 12.511 1.497 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.495 1.010 6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.048 2.634 5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.178 1.347 3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.520 1.855 5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.038 3.616 3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.310 3.649 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.960 4.104 6.348 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.545 4.497 5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.166 6.462 5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.522 6.163 4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.987 5.782 4.888 1.00 0.00 H new ATOM 1969 N ASP B 70 -11.222 6.119 3.511 1.00 0.00 N ATOM 1970 CA ASP B 70 -10.938 7.387 4.175 1.00 0.00 C ATOM 1971 C ASP B 70 -10.689 7.195 5.671 1.00 0.00 C ATOM 1972 O ASP B 70 -11.346 7.817 6.506 1.00 0.00 O ATOM 1973 CB ASP B 70 -12.096 8.360 3.955 1.00 0.00 C ATOM 1974 CG ASP B 70 -11.753 9.774 4.379 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -11.071 10.477 3.605 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -12.166 10.178 5.486 1.00 0.00 O ATOM 0 HA ASP B 70 -10.029 7.799 3.738 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -12.374 8.357 2.901 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -12.966 8.017 4.515 1.00 0.00 H new ATOM 1981 N ALA B 71 -9.731 6.336 5.999 1.00 0.00 N ATOM 1982 CA ALA B 71 -9.382 6.063 7.392 1.00 0.00 C ATOM 1983 C ALA B 71 -8.170 5.158 7.481 1.00 0.00 C ATOM 1984 O ALA B 71 -8.079 4.323 8.378 1.00 0.00 O ATOM 1985 CB ALA B 71 -10.542 5.412 8.120 1.00 0.00 C ATOM 0 H ALA B 71 -9.179 5.814 5.318 1.00 0.00 H new ATOM 0 HA ALA B 71 -9.150 7.018 7.863 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -10.259 5.218 9.155 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -11.405 6.078 8.098 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -10.797 4.472 7.631 1.00 0.00 H new ATOM 1991 N THR B 72 -7.245 5.304 6.545 1.00 0.00 N ATOM 1992 CA THR B 72 -6.064 4.461 6.546 1.00 0.00 C ATOM 1993 C THR B 72 -4.771 5.255 6.359 1.00 0.00 C ATOM 1994 O THR B 72 -3.683 4.681 6.375 1.00 0.00 O ATOM 1995 CB THR B 72 -6.188 3.396 5.463 1.00 0.00 C ATOM 1996 OG1 THR B 72 -7.312 2.576 5.705 1.00 0.00 O ATOM 1997 CG2 THR B 72 -4.988 2.491 5.377 1.00 0.00 C ATOM 0 H THR B 72 -7.288 5.986 5.788 1.00 0.00 H new ATOM 0 HA THR B 72 -6.006 3.989 7.527 1.00 0.00 H new ATOM 0 HB THR B 72 -6.282 3.945 4.526 1.00 0.00 H new ATOM 0 HG1 THR B 72 -7.593 2.674 6.639 1.00 0.00 H new ATOM 0 HG21 THR B 72 -5.142 1.757 4.586 1.00 0.00 H new ATOM 0 HG22 THR B 72 -4.101 3.083 5.154 1.00 0.00 H new ATOM 0 HG23 THR B 72 -4.851 1.977 6.328 1.00 0.00 H new ATOM 2005 N TRP B 73 -4.878 6.565 6.180 1.00 0.00 N ATOM 2006 CA TRP B 73 -3.690 7.393 5.997 1.00 0.00 C ATOM 2007 C TRP B 73 -3.327 8.082 7.304 1.00 0.00 C ATOM 2008 O TRP B 73 -2.864 9.223 7.310 1.00 0.00 O ATOM 2009 CB TRP B 73 -3.909 8.434 4.894 1.00 0.00 C ATOM 2010 CG TRP B 73 -4.810 7.958 3.797 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -5.716 8.699 3.103 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -4.898 6.630 3.280 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -6.367 7.911 2.185 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -5.880 6.634 2.278 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -4.241 5.437 3.570 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -6.218 5.488 1.569 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -4.578 4.300 2.869 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -5.554 4.331 1.883 1.00 0.00 C ATOM 0 H TRP B 73 -5.762 7.073 6.157 1.00 0.00 H new ATOM 0 HA TRP B 73 -2.867 6.746 5.694 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -4.332 9.337 5.335 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -2.944 8.709 4.468 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -5.897 9.753 3.252 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -7.093 8.225 1.541 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -3.478 5.404 4.334 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -6.975 5.508 0.799 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -4.075 3.370 3.090 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -5.796 3.423 1.351 1.00 0.00 H new ATOM 2029 N ASP B 74 -3.548 7.382 8.413 1.00 0.00 N ATOM 2030 CA ASP B 74 -3.252 7.933 9.726 1.00 0.00 C ATOM 2031 C ASP B 74 -2.895 6.842 10.733 1.00 0.00 C ATOM 2032 O ASP B 74 -3.019 7.042 11.941 1.00 0.00 O ATOM 2033 CB ASP B 74 -4.446 8.744 10.233 1.00 0.00 C ATOM 2034 CG ASP B 74 -4.041 9.807 11.236 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -2.967 9.660 11.856 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -4.798 10.787 11.401 1.00 0.00 O ATOM 0 H ASP B 74 -3.930 6.436 8.426 1.00 0.00 H new ATOM 0 HA ASP B 74 -2.384 8.585 9.624 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -4.945 9.218 9.388 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -5.169 8.071 10.694 1.00 0.00 H new ATOM 2041 N LEU B 75 -2.429 5.698 10.239 1.00 0.00 N ATOM 2042 CA LEU B 75 -2.034 4.602 11.118 1.00 0.00 C ATOM 2043 C LEU B 75 -0.619 4.121 10.805 1.00 0.00 C ATOM 2044 O LEU B 75 -0.074 3.271 11.509 1.00 0.00 O ATOM 2045 CB LEU B 75 -3.023 3.431 11.056 1.00 0.00 C ATOM 2046 CG LEU B 75 -3.285 2.825 9.676 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -4.101 3.771 8.820 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -1.987 2.474 8.973 1.00 0.00 C ATOM 0 H LEU B 75 -2.316 5.507 9.243 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.048 4.995 12.135 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -2.656 2.641 11.711 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -3.975 3.768 11.466 1.00 0.00 H new ATOM 0 HG LEU B 75 -3.853 1.906 9.823 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -4.275 3.319 7.843 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.057 3.967 9.305 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -3.559 4.708 8.695 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -2.207 2.046 7.995 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -1.386 3.375 8.848 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -1.434 1.749 9.571 1.00 0.00 H new