USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 970 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 71 THR OG1 : rot 131:sc= -2.65! USER MOD Set 1.2: A 73 HIS : no HD1:sc= -12.3! C(o=-40!,f=-43!) USER MOD Set 1.3: A 75 HIS : no HE2:sc= -24.9! C(o=-40!,f=-48!) USER MOD Set 2.1: A 60 ASN : amide:sc= -10.5! C(o=-18!,f=-13!) USER MOD Set 2.2: A 65 ASN : amide:sc= -7.6! C(o=-18!,f=-23!) USER MOD Set 3.1: A 57 SER OG : rot -139:sc= -3.77! USER MOD Set 3.2: A 59 HIS : no HE2:sc= -12.7! C(o=-16!,f=-24!) USER MOD Set 4.1: A 36 THR OG1 : rot 100:sc= -1.22 USER MOD Set 4.2: A 91 SER OG : rot 180:sc= -0.0468 USER MOD Set 5.1: A 34 TYR OH : rot -21:sc= -2.43! USER MOD Set 5.2: A 64 HIS : no HD1:sc= -9.05! C(o=-11!,f=-10!) USER MOD Single : A 8 LYS NZ :NH3+ -148:sc= -0.524 (180deg=-2.32!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -7.41! C(o=-7.4!,f=-5.9!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0343 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 26:sc= -1.31! USER MOD Single : A 30 CYS SG : rot -130:sc= -5.15! USER MOD Single : A 35 THR OG1 : rot -136:sc= -4.26! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -130:sc= -2.28! (180deg=-5.21!) USER MOD Single : A 44 TYR OH : rot -27:sc= -0.245 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 147:sc= -20.2! (180deg=-24.2!) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0777) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 170:sc= 0.132 USER MOD Single : A 62 TYR OH : rot -30:sc= -0.249 USER MOD Single : A 63 ASN : amide:sc= -3.51! C(o=-3.5!,f=-5.4!) USER MOD Single : A 78 SER OG : rot 132:sc= 0.655 USER MOD Single : A 81 ASN : amide:sc= -3.55! K(o=-3.5!,f=-1.3) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 64:sc= -4.32! USER MOD Single : A 85 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.11) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot 8:sc= 0.651 USER MOD Single : A 89 THR OG1 : rot 57:sc= 1.28 USER MOD Single : A 95 CYS SG : rot -140:sc= -6.71! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.331 K(o=-0.33,f=-3.5!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -147:sc= 0 (180deg=-0.56) USER MOD Single : A 105 TYR OH : rot 1:sc= -0.144 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -22:sc= 0.388 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP A 6 108.747 -4.940 18.296 1.00 0.00 N ATOM 75 CA ASP A 6 108.468 -4.840 16.838 1.00 0.00 C ATOM 76 C ASP A 6 108.404 -3.364 16.427 1.00 0.00 C ATOM 77 O ASP A 6 108.133 -2.506 17.242 1.00 0.00 O ATOM 78 CB ASP A 6 107.131 -5.514 16.533 1.00 0.00 C ATOM 79 CG ASP A 6 106.949 -6.729 17.445 1.00 0.00 C ATOM 80 OD1 ASP A 6 107.948 -7.334 17.797 1.00 0.00 O ATOM 81 OD2 ASP A 6 105.815 -7.032 17.777 1.00 0.00 O ATOM 0 HA ASP A 6 109.263 -5.335 16.280 1.00 0.00 H new ATOM 0 HB2 ASP A 6 106.314 -4.808 16.683 1.00 0.00 H new ATOM 0 HB3 ASP A 6 107.098 -5.823 15.488 1.00 0.00 H new ATOM 86 N PRO A 7 108.660 -3.118 15.167 1.00 0.00 N ATOM 87 CA PRO A 7 108.645 -1.756 14.603 1.00 0.00 C ATOM 88 C PRO A 7 107.205 -1.295 14.350 1.00 0.00 C ATOM 89 O PRO A 7 106.440 -1.957 13.678 1.00 0.00 O ATOM 90 CB PRO A 7 109.408 -1.908 13.284 1.00 0.00 C ATOM 91 CG PRO A 7 109.318 -3.404 12.897 1.00 0.00 C ATOM 92 CD PRO A 7 108.991 -4.176 14.188 1.00 0.00 C ATOM 0 HA PRO A 7 109.088 -1.013 15.265 1.00 0.00 H new ATOM 0 HB2 PRO A 7 108.971 -1.279 12.508 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.447 -1.598 13.398 1.00 0.00 H new ATOM 0 HG2 PRO A 7 108.546 -3.563 12.145 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.258 -3.750 12.467 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.155 -4.860 14.042 1.00 0.00 H new ATOM 0 HD3 PRO A 7 109.839 -4.775 14.520 1.00 0.00 H new ATOM 100 N LYS A 8 106.833 -0.161 14.880 1.00 0.00 N ATOM 101 CA LYS A 8 105.447 0.343 14.668 1.00 0.00 C ATOM 102 C LYS A 8 105.410 1.215 13.410 1.00 0.00 C ATOM 103 O LYS A 8 104.357 1.588 12.931 1.00 0.00 O ATOM 104 CB LYS A 8 105.014 1.176 15.878 1.00 0.00 C ATOM 105 CG LYS A 8 105.954 2.373 16.037 1.00 0.00 C ATOM 106 CD LYS A 8 106.181 2.652 17.524 1.00 0.00 C ATOM 107 CE LYS A 8 105.772 4.091 17.843 1.00 0.00 C ATOM 108 NZ LYS A 8 106.298 5.001 16.786 1.00 0.00 N ATOM 0 H LYS A 8 107.430 0.438 15.451 1.00 0.00 H new ATOM 0 HA LYS A 8 104.768 -0.501 14.547 1.00 0.00 H new ATOM 0 HB2 LYS A 8 103.988 1.521 15.747 1.00 0.00 H new ATOM 0 HB3 LYS A 8 105.032 0.564 16.780 1.00 0.00 H new ATOM 0 HG2 LYS A 8 106.905 2.169 15.545 1.00 0.00 H new ATOM 0 HG3 LYS A 8 105.527 3.251 15.553 1.00 0.00 H new ATOM 0 HD2 LYS A 8 105.600 1.955 18.128 1.00 0.00 H new ATOM 0 HD3 LYS A 8 107.229 2.496 17.778 1.00 0.00 H new ATOM 0 HE2 LYS A 8 104.686 4.168 17.898 1.00 0.00 H new ATOM 0 HE3 LYS A 8 106.162 4.384 18.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 106.519 5.927 17.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 107.161 4.592 16.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 105.581 5.119 16.042 1.00 0.00 H new ATOM 122 N ASP A 9 106.553 1.542 12.872 1.00 0.00 N ATOM 123 CA ASP A 9 106.587 2.389 11.645 1.00 0.00 C ATOM 124 C ASP A 9 108.023 2.458 11.124 1.00 0.00 C ATOM 125 O ASP A 9 108.939 1.949 11.740 1.00 0.00 O ATOM 126 CB ASP A 9 106.097 3.799 11.981 1.00 0.00 C ATOM 127 CG ASP A 9 105.501 4.444 10.728 1.00 0.00 C ATOM 128 OD1 ASP A 9 105.215 3.718 9.790 1.00 0.00 O ATOM 129 OD2 ASP A 9 105.341 5.654 10.728 1.00 0.00 O ATOM 0 H ASP A 9 107.466 1.259 13.229 1.00 0.00 H new ATOM 0 HA ASP A 9 105.939 1.956 10.883 1.00 0.00 H new ATOM 0 HB2 ASP A 9 105.348 3.756 12.772 1.00 0.00 H new ATOM 0 HB3 ASP A 9 106.923 4.403 12.356 1.00 0.00 H new ATOM 134 N PHE A 10 108.235 3.087 9.999 1.00 0.00 N ATOM 135 CA PHE A 10 109.620 3.182 9.462 1.00 0.00 C ATOM 136 C PHE A 10 110.522 3.811 10.525 1.00 0.00 C ATOM 137 O PHE A 10 110.053 4.537 11.379 1.00 0.00 O ATOM 138 CB PHE A 10 109.642 4.063 8.211 1.00 0.00 C ATOM 139 CG PHE A 10 108.494 3.708 7.295 1.00 0.00 C ATOM 140 CD1 PHE A 10 108.594 2.608 6.435 1.00 0.00 C ATOM 141 CD2 PHE A 10 107.338 4.497 7.288 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.538 2.296 5.569 1.00 0.00 C ATOM 143 CE2 PHE A 10 106.281 4.183 6.427 1.00 0.00 C ATOM 144 CZ PHE A 10 106.381 3.082 5.566 1.00 0.00 C ATOM 0 H PHE A 10 107.514 3.535 9.434 1.00 0.00 H new ATOM 0 HA PHE A 10 109.973 2.183 9.204 1.00 0.00 H new ATOM 0 HB2 PHE A 10 109.576 5.113 8.497 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.588 3.935 7.685 1.00 0.00 H new ATOM 0 HD1 PHE A 10 109.486 1.999 6.439 1.00 0.00 H new ATOM 0 HD2 PHE A 10 107.262 5.349 7.948 1.00 0.00 H new ATOM 0 HE1 PHE A 10 107.617 1.449 4.904 1.00 0.00 H new ATOM 0 HE2 PHE A 10 105.387 4.790 6.426 1.00 0.00 H new ATOM 0 HZ PHE A 10 105.565 2.840 4.901 1.00 0.00 H new ATOM 154 N PRO A 11 111.794 3.522 10.437 1.00 0.00 N ATOM 155 CA PRO A 11 112.790 4.057 11.378 1.00 0.00 C ATOM 156 C PRO A 11 113.108 5.512 11.028 1.00 0.00 C ATOM 157 O PRO A 11 112.968 5.930 9.896 1.00 0.00 O ATOM 158 CB PRO A 11 114.008 3.155 11.165 1.00 0.00 C ATOM 159 CG PRO A 11 113.850 2.535 9.757 1.00 0.00 C ATOM 160 CD PRO A 11 112.356 2.640 9.394 1.00 0.00 C ATOM 0 HA PRO A 11 112.454 4.059 12.415 1.00 0.00 H new ATOM 0 HB2 PRO A 11 114.933 3.728 11.236 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.055 2.378 11.928 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.464 3.066 9.029 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.178 1.495 9.753 1.00 0.00 H new ATOM 0 HD2 PRO A 11 112.216 3.061 8.398 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.875 1.662 9.397 1.00 0.00 H new ATOM 168 N SER A 12 113.525 6.289 11.988 1.00 0.00 N ATOM 169 CA SER A 12 113.842 7.718 11.706 1.00 0.00 C ATOM 170 C SER A 12 114.960 7.806 10.663 1.00 0.00 C ATOM 171 O SER A 12 115.099 8.793 9.970 1.00 0.00 O ATOM 172 CB SER A 12 114.295 8.401 12.997 1.00 0.00 C ATOM 173 OG SER A 12 115.643 8.041 13.271 1.00 0.00 O ATOM 0 H SER A 12 113.660 5.997 12.956 1.00 0.00 H new ATOM 0 HA SER A 12 112.952 8.215 11.320 1.00 0.00 H new ATOM 0 HB2 SER A 12 114.208 9.483 12.899 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.651 8.103 13.825 1.00 0.00 H new ATOM 0 HG SER A 12 115.937 8.479 14.097 1.00 0.00 H new ATOM 179 N GLU A 13 115.760 6.781 10.552 1.00 0.00 N ATOM 180 CA GLU A 13 116.873 6.805 9.562 1.00 0.00 C ATOM 181 C GLU A 13 116.332 7.141 8.168 1.00 0.00 C ATOM 182 O GLU A 13 117.046 7.637 7.321 1.00 0.00 O ATOM 183 CB GLU A 13 117.542 5.430 9.531 1.00 0.00 C ATOM 184 CG GLU A 13 118.698 5.401 10.533 1.00 0.00 C ATOM 185 CD GLU A 13 119.820 6.322 10.048 1.00 0.00 C ATOM 186 OE1 GLU A 13 119.947 6.485 8.845 1.00 0.00 O ATOM 187 OE2 GLU A 13 120.532 6.848 10.887 1.00 0.00 O ATOM 0 H GLU A 13 115.690 5.927 11.105 1.00 0.00 H new ATOM 0 HA GLU A 13 117.598 7.566 9.852 1.00 0.00 H new ATOM 0 HB2 GLU A 13 116.816 4.655 9.775 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.911 5.216 8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 13 118.350 5.721 11.515 1.00 0.00 H new ATOM 0 HG3 GLU A 13 119.071 4.383 10.644 1.00 0.00 H new ATOM 194 N LEU A 14 115.079 6.872 7.920 1.00 0.00 N ATOM 195 CA LEU A 14 114.506 7.176 6.578 1.00 0.00 C ATOM 196 C LEU A 14 113.132 7.830 6.735 1.00 0.00 C ATOM 197 O LEU A 14 112.421 8.035 5.771 1.00 0.00 O ATOM 198 CB LEU A 14 114.358 5.877 5.783 1.00 0.00 C ATOM 199 CG LEU A 14 115.691 5.130 5.770 1.00 0.00 C ATOM 200 CD1 LEU A 14 115.523 3.771 6.451 1.00 0.00 C ATOM 201 CD2 LEU A 14 116.140 4.921 4.323 1.00 0.00 C ATOM 0 H LEU A 14 114.429 6.456 8.587 1.00 0.00 H new ATOM 0 HA LEU A 14 115.172 7.859 6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.584 5.252 6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 14 114.043 6.097 4.763 1.00 0.00 H new ATOM 0 HG LEU A 14 116.440 5.713 6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 14 116.474 3.239 6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 14 115.200 3.918 7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 14 114.775 3.186 5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 14 117.091 4.388 4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 14 115.390 4.337 3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 14 116.260 5.889 3.836 1.00 0.00 H new ATOM 213 N LEU A 15 112.747 8.161 7.938 1.00 0.00 N ATOM 214 CA LEU A 15 111.415 8.799 8.137 1.00 0.00 C ATOM 215 C LEU A 15 111.345 10.096 7.330 1.00 0.00 C ATOM 216 O LEU A 15 110.283 10.646 7.112 1.00 0.00 O ATOM 217 CB LEU A 15 111.210 9.111 9.622 1.00 0.00 C ATOM 218 CG LEU A 15 110.575 7.903 10.317 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.337 8.229 11.792 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.238 7.572 9.647 1.00 0.00 C ATOM 0 H LEU A 15 113.294 8.018 8.787 1.00 0.00 H new ATOM 0 HA LEU A 15 110.634 8.117 7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.165 9.351 10.089 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.570 9.986 9.735 1.00 0.00 H new ATOM 0 HG LEU A 15 111.244 7.046 10.237 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.885 7.369 12.286 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.288 8.464 12.271 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.668 9.086 11.872 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.786 6.712 10.142 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.569 8.429 9.726 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.406 7.339 8.596 1.00 0.00 H new ATOM 232 N SER A 16 112.467 10.590 6.886 1.00 0.00 N ATOM 233 CA SER A 16 112.463 11.851 6.093 1.00 0.00 C ATOM 234 C SER A 16 111.688 11.638 4.792 1.00 0.00 C ATOM 235 O SER A 16 110.948 12.496 4.352 1.00 0.00 O ATOM 236 CB SER A 16 113.902 12.253 5.769 1.00 0.00 C ATOM 237 OG SER A 16 113.936 13.630 5.417 1.00 0.00 O ATOM 0 H SER A 16 113.386 10.175 7.038 1.00 0.00 H new ATOM 0 HA SER A 16 111.985 12.641 6.673 1.00 0.00 H new ATOM 0 HB2 SER A 16 114.546 12.070 6.629 1.00 0.00 H new ATOM 0 HB3 SER A 16 114.286 11.646 4.949 1.00 0.00 H new ATOM 0 HG SER A 16 114.857 13.892 5.210 1.00 0.00 H new ATOM 243 N PHE A 17 111.850 10.502 4.169 1.00 0.00 N ATOM 244 CA PHE A 17 111.118 10.244 2.895 1.00 0.00 C ATOM 245 C PHE A 17 109.772 9.587 3.205 1.00 0.00 C ATOM 246 O PHE A 17 109.507 8.474 2.795 1.00 0.00 O ATOM 247 CB PHE A 17 111.932 9.309 1.988 1.00 0.00 C ATOM 248 CG PHE A 17 113.373 9.246 2.446 1.00 0.00 C ATOM 249 CD1 PHE A 17 114.266 10.264 2.090 1.00 0.00 C ATOM 250 CD2 PHE A 17 113.815 8.166 3.220 1.00 0.00 C ATOM 251 CE1 PHE A 17 115.598 10.200 2.508 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.148 8.105 3.638 1.00 0.00 C ATOM 253 CZ PHE A 17 116.039 9.121 3.282 1.00 0.00 C ATOM 0 H PHE A 17 112.455 9.744 4.485 1.00 0.00 H new ATOM 0 HA PHE A 17 110.964 11.194 2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 17 111.496 8.310 2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 17 111.887 9.662 0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 17 113.926 11.097 1.493 1.00 0.00 H new ATOM 0 HD2 PHE A 17 113.127 7.380 3.494 1.00 0.00 H new ATOM 0 HE1 PHE A 17 116.288 10.984 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 17 115.489 7.273 4.236 1.00 0.00 H new ATOM 0 HZ PHE A 17 117.069 9.073 3.604 1.00 0.00 H new ATOM 263 N LEU A 18 108.918 10.260 3.926 1.00 0.00 N ATOM 264 CA LEU A 18 107.590 9.665 4.257 1.00 0.00 C ATOM 265 C LEU A 18 106.524 10.760 4.241 1.00 0.00 C ATOM 266 O LEU A 18 106.804 11.917 4.487 1.00 0.00 O ATOM 267 CB LEU A 18 107.641 9.039 5.654 1.00 0.00 C ATOM 268 CG LEU A 18 107.816 7.521 5.552 1.00 0.00 C ATOM 269 CD1 LEU A 18 106.768 6.937 4.603 1.00 0.00 C ATOM 270 CD2 LEU A 18 109.218 7.209 5.027 1.00 0.00 C ATOM 0 H LEU A 18 109.081 11.195 4.300 1.00 0.00 H new ATOM 0 HA LEU A 18 107.346 8.900 3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 18 108.466 9.469 6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 18 106.725 9.270 6.197 1.00 0.00 H new ATOM 0 HG LEU A 18 107.687 7.075 6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 18 106.899 5.857 4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 18 105.770 7.158 4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 18 106.887 7.379 3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 18 109.347 6.129 4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 18 109.346 7.658 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 18 109.962 7.617 5.711 1.00 0.00 H new ATOM 282 N SER A 19 105.300 10.403 3.968 1.00 0.00 N ATOM 283 CA SER A 19 104.214 11.421 3.950 1.00 0.00 C ATOM 284 C SER A 19 103.580 11.499 5.340 1.00 0.00 C ATOM 285 O SER A 19 102.826 12.403 5.641 1.00 0.00 O ATOM 286 CB SER A 19 103.152 11.022 2.924 1.00 0.00 C ATOM 287 OG SER A 19 102.211 10.153 3.538 1.00 0.00 O ATOM 0 H SER A 19 105.005 9.450 3.757 1.00 0.00 H new ATOM 0 HA SER A 19 104.626 12.393 3.678 1.00 0.00 H new ATOM 0 HB2 SER A 19 102.649 11.909 2.540 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.620 10.528 2.073 1.00 0.00 H new ATOM 0 HG SER A 19 101.528 9.896 2.884 1.00 0.00 H new ATOM 293 N HIS A 20 103.885 10.557 6.192 1.00 0.00 N ATOM 294 CA HIS A 20 103.305 10.573 7.564 1.00 0.00 C ATOM 295 C HIS A 20 101.810 10.882 7.482 1.00 0.00 C ATOM 296 O HIS A 20 101.269 11.615 8.287 1.00 0.00 O ATOM 297 CB HIS A 20 104.013 11.645 8.397 1.00 0.00 C ATOM 298 CG HIS A 20 105.502 11.457 8.281 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.084 10.201 8.208 1.00 0.00 N ATOM 300 CD2 HIS A 20 106.538 12.354 8.215 1.00 0.00 C ATOM 301 CE1 HIS A 20 107.414 10.374 8.103 1.00 0.00 C ATOM 302 NE2 HIS A 20 107.746 11.668 8.105 1.00 0.00 N ATOM 0 H HIS A 20 104.512 9.777 5.996 1.00 0.00 H new ATOM 0 HA HIS A 20 103.443 9.599 8.034 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.731 12.639 8.048 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.705 11.574 9.440 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.433 13.429 8.244 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.126 9.566 8.026 1.00 0.00 H new ATOM 0 HE2 HIS A 20 108.682 12.068 8.040 1.00 0.00 H new ATOM 310 N ALA A 21 101.137 10.320 6.514 1.00 0.00 N ATOM 311 CA ALA A 21 99.676 10.570 6.373 1.00 0.00 C ATOM 312 C ALA A 21 99.007 9.319 5.797 1.00 0.00 C ATOM 313 O ALA A 21 99.639 8.299 5.610 1.00 0.00 O ATOM 314 CB ALA A 21 99.448 11.752 5.429 1.00 0.00 C ATOM 0 H ALA A 21 101.539 9.697 5.813 1.00 0.00 H new ATOM 0 HA ALA A 21 99.247 10.800 7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.378 11.934 5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 21 99.930 12.641 5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.873 11.524 4.451 1.00 0.00 H new ATOM 320 N VAL A 22 97.736 9.390 5.511 1.00 0.00 N ATOM 321 CA VAL A 22 97.036 8.203 4.946 1.00 0.00 C ATOM 322 C VAL A 22 96.204 8.629 3.738 1.00 0.00 C ATOM 323 O VAL A 22 96.459 8.227 2.621 1.00 0.00 O ATOM 324 CB VAL A 22 96.119 7.593 6.008 1.00 0.00 C ATOM 325 CG1 VAL A 22 95.932 6.101 5.724 1.00 0.00 C ATOM 326 CG2 VAL A 22 96.752 7.771 7.390 1.00 0.00 C ATOM 0 H VAL A 22 97.153 10.217 5.644 1.00 0.00 H new ATOM 0 HA VAL A 22 97.773 7.462 4.637 1.00 0.00 H new ATOM 0 HB VAL A 22 95.151 8.093 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 22 95.279 5.666 6.480 1.00 0.00 H new ATOM 0 HG12 VAL A 22 95.483 5.972 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 22 96.900 5.601 5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 22 96.100 7.337 8.148 1.00 0.00 H new ATOM 0 HG22 VAL A 22 97.720 7.270 7.414 1.00 0.00 H new ATOM 0 HG23 VAL A 22 96.888 8.833 7.594 1.00 0.00 H new ATOM 336 N PHE A 23 95.210 9.441 3.956 1.00 0.00 N ATOM 337 CA PHE A 23 94.357 9.898 2.824 1.00 0.00 C ATOM 338 C PHE A 23 94.953 11.171 2.220 1.00 0.00 C ATOM 339 O PHE A 23 94.268 12.155 2.022 1.00 0.00 O ATOM 340 CB PHE A 23 92.944 10.185 3.332 1.00 0.00 C ATOM 341 CG PHE A 23 92.142 8.906 3.341 1.00 0.00 C ATOM 342 CD1 PHE A 23 92.333 7.967 4.363 1.00 0.00 C ATOM 343 CD2 PHE A 23 91.209 8.660 2.328 1.00 0.00 C ATOM 344 CE1 PHE A 23 91.588 6.781 4.369 1.00 0.00 C ATOM 345 CE2 PHE A 23 90.464 7.474 2.335 1.00 0.00 C ATOM 346 CZ PHE A 23 90.654 6.534 3.356 1.00 0.00 C ATOM 0 H PHE A 23 94.950 9.809 4.871 1.00 0.00 H new ATOM 0 HA PHE A 23 94.315 9.119 2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 23 92.986 10.607 4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 23 92.460 10.925 2.695 1.00 0.00 H new ATOM 0 HD1 PHE A 23 93.053 8.157 5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 23 91.063 9.385 1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 23 91.734 6.056 5.156 1.00 0.00 H new ATOM 0 HE2 PHE A 23 89.743 7.284 1.553 1.00 0.00 H new ATOM 0 HZ PHE A 23 90.080 5.619 3.362 1.00 0.00 H new ATOM 356 N SER A 24 96.226 11.162 1.928 1.00 0.00 N ATOM 357 CA SER A 24 96.863 12.372 1.338 1.00 0.00 C ATOM 358 C SER A 24 96.034 12.857 0.146 1.00 0.00 C ATOM 359 O SER A 24 95.130 12.185 -0.308 1.00 0.00 O ATOM 360 CB SER A 24 98.277 12.027 0.868 1.00 0.00 C ATOM 361 OG SER A 24 98.902 11.193 1.834 1.00 0.00 O ATOM 0 H SER A 24 96.851 10.369 2.073 1.00 0.00 H new ATOM 0 HA SER A 24 96.912 13.159 2.091 1.00 0.00 H new ATOM 0 HB2 SER A 24 98.239 11.521 -0.096 1.00 0.00 H new ATOM 0 HB3 SER A 24 98.858 12.938 0.727 1.00 0.00 H new ATOM 0 HG SER A 24 99.808 10.968 1.535 1.00 0.00 H new ATOM 367 N ASN A 25 96.335 14.021 -0.362 1.00 0.00 N ATOM 368 CA ASN A 25 95.565 14.548 -1.523 1.00 0.00 C ATOM 369 C ASN A 25 96.183 14.036 -2.825 1.00 0.00 C ATOM 370 O ASN A 25 97.179 13.338 -2.819 1.00 0.00 O ATOM 371 CB ASN A 25 95.606 16.079 -1.507 1.00 0.00 C ATOM 372 CG ASN A 25 94.263 16.620 -1.014 1.00 0.00 C ATOM 373 OD1 ASN A 25 93.958 16.545 0.160 1.00 0.00 O ATOM 374 ND2 ASN A 25 93.442 17.170 -1.867 1.00 0.00 N ATOM 0 H ASN A 25 97.080 14.629 -0.023 1.00 0.00 H new ATOM 0 HA ASN A 25 94.531 14.209 -1.456 1.00 0.00 H new ATOM 0 HB2 ASN A 25 96.410 16.425 -0.858 1.00 0.00 H new ATOM 0 HB3 ASN A 25 95.818 16.458 -2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 25 92.545 17.536 -1.548 1.00 0.00 H new ATOM 0 HD22 ASN A 25 93.697 17.233 -2.852 1.00 0.00 H new ATOM 381 N ARG A 26 95.601 14.377 -3.942 1.00 0.00 N ATOM 382 CA ARG A 26 96.156 13.910 -5.244 1.00 0.00 C ATOM 383 C ARG A 26 96.377 12.396 -5.190 1.00 0.00 C ATOM 384 O ARG A 26 96.004 11.739 -4.238 1.00 0.00 O ATOM 385 CB ARG A 26 97.489 14.615 -5.511 1.00 0.00 C ATOM 386 CG ARG A 26 97.248 16.117 -5.677 1.00 0.00 C ATOM 387 CD ARG A 26 98.589 16.852 -5.677 1.00 0.00 C ATOM 388 NE ARG A 26 98.896 17.325 -7.057 1.00 0.00 N ATOM 389 CZ ARG A 26 98.943 16.472 -8.043 1.00 0.00 C ATOM 390 NH1 ARG A 26 99.541 15.322 -7.882 1.00 0.00 N ATOM 391 NH2 ARG A 26 98.392 16.767 -9.189 1.00 0.00 N ATOM 0 H ARG A 26 94.766 14.958 -4.009 1.00 0.00 H new ATOM 0 HA ARG A 26 95.455 14.145 -6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 26 98.179 14.436 -4.686 1.00 0.00 H new ATOM 0 HB3 ARG A 26 97.954 14.209 -6.410 1.00 0.00 H new ATOM 0 HG2 ARG A 26 96.716 16.310 -6.608 1.00 0.00 H new ATOM 0 HG3 ARG A 26 96.619 16.487 -4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 26 98.552 17.698 -4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 26 99.379 16.189 -5.324 1.00 0.00 H new ATOM 0 HE ARG A 26 99.069 18.315 -7.230 1.00 0.00 H new ATOM 0 HH11 ARG A 26 99.971 15.092 -6.986 1.00 0.00 H new ATOM 0 HH12 ARG A 26 99.578 14.654 -8.652 1.00 0.00 H new ATOM 0 HH21 ARG A 26 97.924 17.665 -9.314 1.00 0.00 H new ATOM 0 HH22 ARG A 26 98.429 16.100 -9.960 1.00 0.00 H new ATOM 405 N THR A 27 96.980 11.838 -6.203 1.00 0.00 N ATOM 406 CA THR A 27 97.225 10.369 -6.209 1.00 0.00 C ATOM 407 C THR A 27 98.732 10.106 -6.233 1.00 0.00 C ATOM 408 O THR A 27 99.447 10.616 -7.072 1.00 0.00 O ATOM 409 CB THR A 27 96.577 9.750 -7.451 1.00 0.00 C ATOM 410 OG1 THR A 27 97.062 10.409 -8.613 1.00 0.00 O ATOM 411 CG2 THR A 27 95.058 9.911 -7.370 1.00 0.00 C ATOM 0 H THR A 27 97.314 12.337 -7.028 1.00 0.00 H new ATOM 0 HA THR A 27 96.792 9.922 -5.314 1.00 0.00 H new ATOM 0 HB THR A 27 96.826 8.690 -7.501 1.00 0.00 H new ATOM 0 HG1 THR A 27 97.950 10.781 -8.431 1.00 0.00 H new ATOM 0 HG21 THR A 27 94.598 9.470 -8.254 1.00 0.00 H new ATOM 0 HG22 THR A 27 94.686 9.407 -6.478 1.00 0.00 H new ATOM 0 HG23 THR A 27 94.807 10.970 -7.320 1.00 0.00 H new ATOM 419 N LEU A 28 99.220 9.319 -5.315 1.00 0.00 N ATOM 420 CA LEU A 28 100.682 9.029 -5.280 1.00 0.00 C ATOM 421 C LEU A 28 100.981 7.780 -6.112 1.00 0.00 C ATOM 422 O LEU A 28 100.146 6.915 -6.273 1.00 0.00 O ATOM 423 CB LEU A 28 101.115 8.785 -3.832 1.00 0.00 C ATOM 424 CG LEU A 28 102.094 9.877 -3.398 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.314 11.120 -2.967 1.00 0.00 C ATOM 426 CD2 LEU A 28 102.932 9.369 -2.221 1.00 0.00 C ATOM 0 H LEU A 28 98.670 8.864 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 28 101.228 9.878 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 28 100.244 8.782 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 28 101.584 7.805 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 28 102.749 10.130 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 28 102.012 11.898 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 28 100.715 11.481 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 28 100.659 10.868 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 28 103.631 10.146 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 28 102.275 9.117 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 28 103.488 8.482 -2.526 1.00 0.00 H new ATOM 438 N ALA A 29 102.173 7.677 -6.631 1.00 0.00 N ATOM 439 CA ALA A 29 102.540 6.481 -7.443 1.00 0.00 C ATOM 440 C ALA A 29 103.791 5.839 -6.836 1.00 0.00 C ATOM 441 O ALA A 29 104.434 5.005 -7.443 1.00 0.00 O ATOM 442 CB ALA A 29 102.836 6.910 -8.882 1.00 0.00 C ATOM 0 H ALA A 29 102.912 8.372 -6.528 1.00 0.00 H new ATOM 0 HA ALA A 29 101.717 5.767 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 29 103.104 6.035 -9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.951 7.381 -9.310 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.664 7.619 -8.887 1.00 0.00 H new ATOM 448 N CYS A 30 104.138 6.234 -5.642 1.00 0.00 N ATOM 449 CA CYS A 30 105.347 5.672 -4.978 1.00 0.00 C ATOM 450 C CYS A 30 104.990 5.301 -3.532 1.00 0.00 C ATOM 451 O CYS A 30 104.364 6.067 -2.826 1.00 0.00 O ATOM 452 CB CYS A 30 106.459 6.737 -5.007 1.00 0.00 C ATOM 453 SG CYS A 30 107.612 6.513 -3.624 1.00 0.00 S ATOM 0 H CYS A 30 103.631 6.928 -5.094 1.00 0.00 H new ATOM 0 HA CYS A 30 105.695 4.777 -5.494 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.001 6.676 -5.951 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.016 7.732 -4.958 1.00 0.00 H new ATOM 0 HG CYS A 30 107.778 7.647 -3.010 1.00 0.00 H new ATOM 459 N PHE A 31 105.386 4.139 -3.083 1.00 0.00 N ATOM 460 CA PHE A 31 105.061 3.750 -1.680 1.00 0.00 C ATOM 461 C PHE A 31 106.158 2.833 -1.119 1.00 0.00 C ATOM 462 O PHE A 31 106.924 2.229 -1.851 1.00 0.00 O ATOM 463 CB PHE A 31 103.717 3.017 -1.635 1.00 0.00 C ATOM 464 CG PHE A 31 102.745 3.639 -2.609 1.00 0.00 C ATOM 465 CD1 PHE A 31 102.928 3.474 -3.988 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.648 4.366 -2.131 1.00 0.00 C ATOM 467 CE1 PHE A 31 102.019 4.040 -4.887 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.736 4.926 -3.029 1.00 0.00 C ATOM 469 CZ PHE A 31 100.919 4.766 -4.408 1.00 0.00 C ATOM 0 H PHE A 31 105.914 3.450 -3.619 1.00 0.00 H new ATOM 0 HA PHE A 31 105.000 4.654 -1.074 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.861 1.964 -1.878 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.307 3.058 -0.626 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.772 2.909 -4.357 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.507 4.494 -1.068 1.00 0.00 H new ATOM 0 HE1 PHE A 31 102.164 3.918 -5.950 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.888 5.483 -2.659 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.214 5.201 -5.101 1.00 0.00 H new ATOM 479 N ALA A 32 106.234 2.732 0.183 1.00 0.00 N ATOM 480 CA ALA A 32 107.271 1.869 0.818 1.00 0.00 C ATOM 481 C ALA A 32 106.601 0.830 1.719 1.00 0.00 C ATOM 482 O ALA A 32 106.071 1.154 2.763 1.00 0.00 O ATOM 483 CB ALA A 32 108.195 2.735 1.677 1.00 0.00 C ATOM 0 H ALA A 32 105.617 3.214 0.837 1.00 0.00 H new ATOM 0 HA ALA A 32 107.842 1.367 0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 32 108.954 2.106 2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.679 3.484 1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.611 3.233 2.451 1.00 0.00 H new ATOM 489 N ILE A 33 106.632 -0.418 1.340 1.00 0.00 N ATOM 490 CA ILE A 33 106.010 -1.462 2.200 1.00 0.00 C ATOM 491 C ILE A 33 107.045 -1.948 3.214 1.00 0.00 C ATOM 492 O ILE A 33 107.765 -2.896 2.971 1.00 0.00 O ATOM 493 CB ILE A 33 105.544 -2.647 1.350 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.775 -2.140 0.131 1.00 0.00 C ATOM 495 CG2 ILE A 33 104.636 -3.550 2.186 1.00 0.00 C ATOM 496 CD1 ILE A 33 103.771 -1.069 0.563 1.00 0.00 C ATOM 0 H ILE A 33 107.058 -0.758 0.478 1.00 0.00 H new ATOM 0 HA ILE A 33 105.147 -1.036 2.712 1.00 0.00 H new ATOM 0 HB ILE A 33 106.414 -3.213 1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 33 105.468 -1.728 -0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.254 -2.967 -0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 33 104.304 -4.393 1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 33 105.187 -3.919 3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 33 103.769 -2.982 2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.224 -0.710 -0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 33 103.070 -1.496 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.303 -0.238 1.026 1.00 0.00 H new ATOM 508 N TYR A 34 107.114 -1.322 4.353 1.00 0.00 N ATOM 509 CA TYR A 34 108.093 -1.770 5.382 1.00 0.00 C ATOM 510 C TYR A 34 107.480 -2.961 6.092 1.00 0.00 C ATOM 511 O TYR A 34 106.523 -2.829 6.826 1.00 0.00 O ATOM 512 CB TYR A 34 108.357 -0.646 6.388 1.00 0.00 C ATOM 513 CG TYR A 34 109.099 -1.189 7.593 1.00 0.00 C ATOM 514 CD1 TYR A 34 109.809 -2.398 7.508 1.00 0.00 C ATOM 515 CD2 TYR A 34 109.078 -0.479 8.799 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.492 -2.889 8.625 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.763 -0.971 9.915 1.00 0.00 C ATOM 518 CZ TYR A 34 110.470 -2.177 9.828 1.00 0.00 C ATOM 519 OH TYR A 34 111.144 -2.662 10.929 1.00 0.00 O ATOM 0 H TYR A 34 106.538 -0.523 4.617 1.00 0.00 H new ATOM 0 HA TYR A 34 109.043 -2.036 4.918 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.942 0.144 5.917 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.413 -0.200 6.703 1.00 0.00 H new ATOM 0 HD1 TYR A 34 109.827 -2.949 6.579 1.00 0.00 H new ATOM 0 HD2 TYR A 34 108.532 0.450 8.868 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.037 -3.819 8.558 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.747 -0.421 10.844 1.00 0.00 H new ATOM 0 HH TYR A 34 111.291 -3.625 10.824 1.00 0.00 H new ATOM 529 N THR A 35 107.989 -4.131 5.860 1.00 0.00 N ATOM 530 CA THR A 35 107.377 -5.311 6.508 1.00 0.00 C ATOM 531 C THR A 35 108.434 -6.361 6.823 1.00 0.00 C ATOM 532 O THR A 35 109.555 -6.296 6.359 1.00 0.00 O ATOM 533 CB THR A 35 106.345 -5.900 5.552 1.00 0.00 C ATOM 534 OG1 THR A 35 107.017 -6.617 4.524 1.00 0.00 O ATOM 535 CG2 THR A 35 105.517 -4.766 4.934 1.00 0.00 C ATOM 0 H THR A 35 108.791 -4.320 5.258 1.00 0.00 H new ATOM 0 HA THR A 35 106.907 -5.008 7.444 1.00 0.00 H new ATOM 0 HB THR A 35 105.683 -6.575 6.094 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.610 -6.405 3.658 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.779 -5.185 4.250 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.008 -4.215 5.725 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.175 -4.091 4.387 1.00 0.00 H new ATOM 543 N THR A 36 108.073 -7.335 7.607 1.00 0.00 N ATOM 544 CA THR A 36 109.037 -8.405 7.959 1.00 0.00 C ATOM 545 C THR A 36 109.424 -9.164 6.686 1.00 0.00 C ATOM 546 O THR A 36 108.693 -9.182 5.715 1.00 0.00 O ATOM 547 CB THR A 36 108.380 -9.348 8.973 1.00 0.00 C ATOM 548 OG1 THR A 36 107.348 -10.086 8.333 1.00 0.00 O ATOM 549 CG2 THR A 36 107.788 -8.520 10.122 1.00 0.00 C ATOM 0 H THR A 36 107.146 -7.435 8.020 1.00 0.00 H new ATOM 0 HA THR A 36 109.938 -7.981 8.403 1.00 0.00 H new ATOM 0 HB THR A 36 109.124 -10.040 9.369 1.00 0.00 H new ATOM 0 HG1 THR A 36 107.678 -10.980 8.106 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.319 -9.186 10.846 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.582 -7.955 10.610 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.042 -7.831 9.727 1.00 0.00 H new ATOM 557 N LYS A 37 110.576 -9.773 6.677 1.00 0.00 N ATOM 558 CA LYS A 37 111.037 -10.517 5.472 1.00 0.00 C ATOM 559 C LYS A 37 109.875 -11.281 4.823 1.00 0.00 C ATOM 560 O LYS A 37 109.604 -11.130 3.650 1.00 0.00 O ATOM 561 CB LYS A 37 112.121 -11.506 5.896 1.00 0.00 C ATOM 562 CG LYS A 37 111.667 -12.259 7.148 1.00 0.00 C ATOM 563 CD LYS A 37 112.890 -12.705 7.950 1.00 0.00 C ATOM 564 CE LYS A 37 113.068 -14.219 7.811 1.00 0.00 C ATOM 565 NZ LYS A 37 114.225 -14.661 8.639 1.00 0.00 N ATOM 0 H LYS A 37 111.226 -9.787 7.463 1.00 0.00 H new ATOM 0 HA LYS A 37 111.429 -9.808 4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.321 -12.210 5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.053 -10.977 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.032 -11.618 7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.068 -13.125 6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 37 113.781 -12.189 7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 37 112.767 -12.437 8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 37 112.161 -14.733 8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 37 113.233 -14.482 6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 114.346 -15.690 8.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 115.088 -14.179 8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 114.049 -14.423 9.636 1.00 0.00 H new ATOM 579 N GLU A 38 109.200 -12.111 5.568 1.00 0.00 N ATOM 580 CA GLU A 38 108.075 -12.896 4.990 1.00 0.00 C ATOM 581 C GLU A 38 107.097 -11.965 4.274 1.00 0.00 C ATOM 582 O GLU A 38 106.621 -12.259 3.195 1.00 0.00 O ATOM 583 CB GLU A 38 107.344 -13.634 6.112 1.00 0.00 C ATOM 584 CG GLU A 38 106.135 -14.373 5.534 1.00 0.00 C ATOM 585 CD GLU A 38 105.613 -15.382 6.558 1.00 0.00 C ATOM 586 OE1 GLU A 38 105.508 -15.018 7.718 1.00 0.00 O ATOM 587 OE2 GLU A 38 105.324 -16.500 6.165 1.00 0.00 O ATOM 0 H GLU A 38 109.381 -12.280 6.558 1.00 0.00 H new ATOM 0 HA GLU A 38 108.473 -13.614 4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.018 -14.341 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.020 -12.927 6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 38 105.350 -13.662 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 38 106.415 -14.885 4.614 1.00 0.00 H new ATOM 594 N LYS A 39 106.786 -10.847 4.865 1.00 0.00 N ATOM 595 CA LYS A 39 105.831 -9.902 4.218 1.00 0.00 C ATOM 596 C LYS A 39 106.382 -9.447 2.866 1.00 0.00 C ATOM 597 O LYS A 39 105.862 -9.796 1.828 1.00 0.00 O ATOM 598 CB LYS A 39 105.632 -8.677 5.116 1.00 0.00 C ATOM 599 CG LYS A 39 104.591 -8.979 6.198 1.00 0.00 C ATOM 600 CD LYS A 39 103.547 -7.855 6.237 1.00 0.00 C ATOM 601 CE LYS A 39 102.322 -8.257 5.420 1.00 0.00 C ATOM 602 NZ LYS A 39 102.687 -8.334 3.977 1.00 0.00 N ATOM 0 H LYS A 39 107.151 -10.545 5.768 1.00 0.00 H new ATOM 0 HA LYS A 39 104.878 -10.409 4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.579 -8.399 5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.308 -7.826 4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 39 104.105 -9.933 5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 39 105.077 -9.071 7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 39 103.257 -7.652 7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 39 103.975 -6.935 5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 39 101.944 -9.221 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 39 101.522 -7.531 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 101.999 -7.793 3.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 103.638 -7.936 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 102.679 -9.327 3.670 1.00 0.00 H new ATOM 616 N ALA A 40 107.421 -8.660 2.868 1.00 0.00 N ATOM 617 CA ALA A 40 107.988 -8.165 1.579 1.00 0.00 C ATOM 618 C ALA A 40 108.049 -9.289 0.547 1.00 0.00 C ATOM 619 O ALA A 40 107.538 -9.158 -0.544 1.00 0.00 O ATOM 620 CB ALA A 40 109.402 -7.627 1.805 1.00 0.00 C ATOM 0 H ALA A 40 107.904 -8.337 3.706 1.00 0.00 H new ATOM 0 HA ALA A 40 107.340 -7.371 1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.810 -7.267 0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 40 109.369 -6.806 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 40 110.036 -8.423 2.194 1.00 0.00 H new ATOM 626 N ALA A 41 108.686 -10.382 0.867 1.00 0.00 N ATOM 627 CA ALA A 41 108.790 -11.496 -0.121 1.00 0.00 C ATOM 628 C ALA A 41 107.442 -11.707 -0.811 1.00 0.00 C ATOM 629 O ALA A 41 107.367 -11.862 -2.014 1.00 0.00 O ATOM 630 CB ALA A 41 109.206 -12.782 0.594 1.00 0.00 C ATOM 0 H ALA A 41 109.138 -10.553 1.766 1.00 0.00 H new ATOM 0 HA ALA A 41 109.540 -11.239 -0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.281 -13.593 -0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.173 -12.634 1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.461 -13.036 1.348 1.00 0.00 H new ATOM 636 N LEU A 42 106.379 -11.714 -0.062 1.00 0.00 N ATOM 637 CA LEU A 42 105.037 -11.915 -0.677 1.00 0.00 C ATOM 638 C LEU A 42 104.676 -10.689 -1.517 1.00 0.00 C ATOM 639 O LEU A 42 104.090 -10.800 -2.575 1.00 0.00 O ATOM 640 CB LEU A 42 103.991 -12.100 0.425 1.00 0.00 C ATOM 641 CG LEU A 42 104.118 -13.502 1.021 1.00 0.00 C ATOM 642 CD1 LEU A 42 103.217 -13.618 2.252 1.00 0.00 C ATOM 643 CD2 LEU A 42 103.691 -14.539 -0.021 1.00 0.00 C ATOM 0 H LEU A 42 106.379 -11.589 0.950 1.00 0.00 H new ATOM 0 HA LEU A 42 105.057 -12.801 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.130 -11.349 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 42 102.990 -11.956 0.018 1.00 0.00 H new ATOM 0 HG LEU A 42 105.154 -13.680 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 42 103.308 -14.618 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 42 103.519 -12.880 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 42 102.181 -13.439 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 42 103.781 -15.539 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.655 -14.359 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 42 104.332 -14.458 -0.899 1.00 0.00 H new ATOM 655 N LEU A 43 105.019 -9.521 -1.050 1.00 0.00 N ATOM 656 CA LEU A 43 104.694 -8.283 -1.813 1.00 0.00 C ATOM 657 C LEU A 43 105.568 -8.203 -3.063 1.00 0.00 C ATOM 658 O LEU A 43 105.306 -7.432 -3.963 1.00 0.00 O ATOM 659 CB LEU A 43 104.967 -7.058 -0.933 1.00 0.00 C ATOM 660 CG LEU A 43 103.845 -6.876 0.094 1.00 0.00 C ATOM 661 CD1 LEU A 43 102.649 -6.198 -0.574 1.00 0.00 C ATOM 662 CD2 LEU A 43 103.412 -8.235 0.648 1.00 0.00 C ATOM 0 H LEU A 43 105.512 -9.370 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 43 103.644 -8.306 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.922 -7.176 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 43 105.047 -6.166 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 43 104.211 -6.257 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 43 101.850 -6.068 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 43 102.951 -5.224 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.292 -6.818 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 43 102.614 -8.093 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 43 103.051 -8.862 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 43 104.262 -8.719 1.130 1.00 0.00 H new ATOM 674 N TYR A 44 106.603 -8.990 -3.130 1.00 0.00 N ATOM 675 CA TYR A 44 107.480 -8.947 -4.328 1.00 0.00 C ATOM 676 C TYR A 44 106.776 -9.656 -5.485 1.00 0.00 C ATOM 677 O TYR A 44 106.323 -9.033 -6.423 1.00 0.00 O ATOM 678 CB TYR A 44 108.814 -9.639 -4.024 1.00 0.00 C ATOM 679 CG TYR A 44 109.899 -8.987 -4.846 1.00 0.00 C ATOM 680 CD1 TYR A 44 110.451 -7.766 -4.437 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.334 -9.590 -6.031 1.00 0.00 C ATOM 682 CE1 TYR A 44 111.441 -7.151 -5.220 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.318 -8.974 -6.811 1.00 0.00 C ATOM 684 CZ TYR A 44 111.871 -7.753 -6.406 1.00 0.00 C ATOM 685 OH TYR A 44 112.839 -7.141 -7.178 1.00 0.00 O ATOM 0 H TYR A 44 106.878 -9.658 -2.410 1.00 0.00 H new ATOM 0 HA TYR A 44 107.679 -7.910 -4.600 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.046 -9.560 -2.962 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.750 -10.702 -4.258 1.00 0.00 H new ATOM 0 HD1 TYR A 44 110.116 -7.299 -3.522 1.00 0.00 H new ATOM 0 HD2 TYR A 44 109.909 -10.532 -6.344 1.00 0.00 H new ATOM 0 HE1 TYR A 44 111.871 -6.211 -4.905 1.00 0.00 H new ATOM 0 HE2 TYR A 44 111.652 -9.440 -7.726 1.00 0.00 H new ATOM 0 HH TYR A 44 112.809 -6.172 -7.033 1.00 0.00 H new ATOM 695 N LYS A 45 106.672 -10.953 -5.422 1.00 0.00 N ATOM 696 CA LYS A 45 105.990 -11.697 -6.518 1.00 0.00 C ATOM 697 C LYS A 45 104.549 -11.199 -6.656 1.00 0.00 C ATOM 698 O LYS A 45 103.895 -11.433 -7.652 1.00 0.00 O ATOM 699 CB LYS A 45 105.984 -13.193 -6.191 1.00 0.00 C ATOM 700 CG LYS A 45 106.252 -13.995 -7.466 1.00 0.00 C ATOM 701 CD LYS A 45 107.542 -14.800 -7.302 1.00 0.00 C ATOM 702 CE LYS A 45 108.737 -13.845 -7.261 1.00 0.00 C ATOM 703 NZ LYS A 45 109.928 -14.562 -6.724 1.00 0.00 N ATOM 0 H LYS A 45 107.029 -11.530 -4.661 1.00 0.00 H new ATOM 0 HA LYS A 45 106.522 -11.531 -7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.744 -13.415 -5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.023 -13.479 -5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 45 105.416 -14.665 -7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 45 106.337 -13.323 -8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 45 107.502 -15.389 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 45 107.652 -15.503 -8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 45 108.948 -13.466 -8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 45 108.506 -12.983 -6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 110.740 -13.913 -6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 109.724 -14.903 -5.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 110.152 -15.371 -7.338 1.00 0.00 H new ATOM 717 N LYS A 46 104.047 -10.513 -5.662 1.00 0.00 N ATOM 718 CA LYS A 46 102.646 -10.008 -5.740 1.00 0.00 C ATOM 719 C LYS A 46 102.630 -8.611 -6.364 1.00 0.00 C ATOM 720 O LYS A 46 102.328 -8.446 -7.530 1.00 0.00 O ATOM 721 CB LYS A 46 102.053 -9.940 -4.336 1.00 0.00 C ATOM 722 CG LYS A 46 101.602 -11.335 -3.902 1.00 0.00 C ATOM 723 CD LYS A 46 100.567 -11.210 -2.782 1.00 0.00 C ATOM 724 CE LYS A 46 100.509 -12.519 -1.992 1.00 0.00 C ATOM 725 NZ LYS A 46 99.305 -13.296 -2.406 1.00 0.00 N ATOM 0 H LYS A 46 104.546 -10.282 -4.803 1.00 0.00 H new ATOM 0 HA LYS A 46 102.055 -10.685 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.793 -9.552 -3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 46 101.208 -9.252 -4.320 1.00 0.00 H new ATOM 0 HG2 LYS A 46 101.174 -11.871 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 46 102.458 -11.915 -3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 46 100.830 -10.385 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 46 99.587 -10.982 -3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 46 101.411 -13.104 -2.170 1.00 0.00 H new ATOM 0 HE3 LYS A 46 100.470 -12.310 -0.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 99.265 -14.186 -1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 98.449 -12.737 -2.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 99.361 -13.507 -3.423 1.00 0.00 H new ATOM 739 N ILE A 47 102.949 -7.603 -5.596 1.00 0.00 N ATOM 740 CA ILE A 47 102.947 -6.216 -6.145 1.00 0.00 C ATOM 741 C ILE A 47 103.588 -6.216 -7.538 1.00 0.00 C ATOM 742 O ILE A 47 103.306 -5.371 -8.361 1.00 0.00 O ATOM 743 CB ILE A 47 103.755 -5.298 -5.227 1.00 0.00 C ATOM 744 CG1 ILE A 47 103.014 -5.114 -3.890 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.961 -3.946 -5.919 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.044 -3.928 -3.965 1.00 0.00 C ATOM 0 H ILE A 47 103.211 -7.680 -4.613 1.00 0.00 H new ATOM 0 HA ILE A 47 101.919 -5.859 -6.210 1.00 0.00 H new ATOM 0 HB ILE A 47 104.728 -5.744 -5.023 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.466 -6.023 -3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.735 -4.950 -3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 47 104.537 -3.288 -5.268 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.501 -4.094 -6.854 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.992 -3.493 -6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.531 -3.816 -3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.600 -3.017 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.311 -4.107 -4.752 1.00 0.00 H new ATOM 758 N MET A 48 104.458 -7.152 -7.807 1.00 0.00 N ATOM 759 CA MET A 48 105.121 -7.195 -9.142 1.00 0.00 C ATOM 760 C MET A 48 104.085 -6.983 -10.250 1.00 0.00 C ATOM 761 O MET A 48 103.946 -5.900 -10.782 1.00 0.00 O ATOM 762 CB MET A 48 105.804 -8.552 -9.332 1.00 0.00 C ATOM 763 CG MET A 48 107.287 -8.339 -9.643 1.00 0.00 C ATOM 764 SD MET A 48 108.294 -9.051 -8.317 1.00 0.00 S ATOM 765 CE MET A 48 108.857 -7.486 -7.604 1.00 0.00 C ATOM 0 H MET A 48 104.738 -7.889 -7.160 1.00 0.00 H new ATOM 0 HA MET A 48 105.866 -6.401 -9.195 1.00 0.00 H new ATOM 0 HB2 MET A 48 105.694 -9.156 -8.431 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.327 -9.101 -10.144 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.540 -8.805 -10.595 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.499 -7.274 -9.743 1.00 0.00 H new ATOM 0 HE1 MET A 48 108.976 -7.599 -6.526 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.813 -7.207 -8.047 1.00 0.00 H new ATOM 0 HE3 MET A 48 108.122 -6.708 -7.808 1.00 0.00 H new ATOM 775 N GLU A 49 103.362 -8.009 -10.614 1.00 0.00 N ATOM 776 CA GLU A 49 102.349 -7.858 -11.698 1.00 0.00 C ATOM 777 C GLU A 49 101.111 -7.138 -11.159 1.00 0.00 C ATOM 778 O GLU A 49 100.155 -6.912 -11.875 1.00 0.00 O ATOM 779 CB GLU A 49 101.947 -9.238 -12.221 1.00 0.00 C ATOM 780 CG GLU A 49 101.242 -9.083 -13.570 1.00 0.00 C ATOM 781 CD GLU A 49 99.955 -9.910 -13.573 1.00 0.00 C ATOM 782 OE1 GLU A 49 98.962 -9.426 -13.056 1.00 0.00 O ATOM 783 OE2 GLU A 49 99.984 -11.013 -14.095 1.00 0.00 O ATOM 0 H GLU A 49 103.429 -8.943 -10.208 1.00 0.00 H new ATOM 0 HA GLU A 49 102.781 -7.272 -12.509 1.00 0.00 H new ATOM 0 HB2 GLU A 49 102.829 -9.869 -12.329 1.00 0.00 H new ATOM 0 HB3 GLU A 49 101.287 -9.732 -11.508 1.00 0.00 H new ATOM 0 HG2 GLU A 49 101.012 -8.033 -13.754 1.00 0.00 H new ATOM 0 HG3 GLU A 49 101.899 -9.411 -14.375 1.00 0.00 H new ATOM 790 N LYS A 50 101.118 -6.775 -9.909 1.00 0.00 N ATOM 791 CA LYS A 50 99.938 -6.070 -9.334 1.00 0.00 C ATOM 792 C LYS A 50 99.941 -4.611 -9.794 1.00 0.00 C ATOM 793 O LYS A 50 99.048 -4.165 -10.487 1.00 0.00 O ATOM 794 CB LYS A 50 100.006 -6.127 -7.808 1.00 0.00 C ATOM 795 CG LYS A 50 98.613 -6.408 -7.242 1.00 0.00 C ATOM 796 CD LYS A 50 98.700 -7.524 -6.199 1.00 0.00 C ATOM 797 CE LYS A 50 97.319 -7.758 -5.585 1.00 0.00 C ATOM 798 NZ LYS A 50 96.449 -8.459 -6.572 1.00 0.00 N ATOM 0 H LYS A 50 101.888 -6.935 -9.260 1.00 0.00 H new ATOM 0 HA LYS A 50 99.023 -6.554 -9.674 1.00 0.00 H new ATOM 0 HB2 LYS A 50 100.701 -6.906 -7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.386 -5.184 -7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.204 -5.505 -6.790 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.935 -6.698 -8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 50 99.064 -8.441 -6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 50 99.414 -7.254 -5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 50 97.409 -8.353 -4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 50 96.870 -6.807 -5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 95.573 -8.769 -6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 96.215 -7.811 -7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 96.951 -9.287 -6.950 1.00 0.00 H new ATOM 812 N TYR A 51 100.939 -3.863 -9.412 1.00 0.00 N ATOM 813 CA TYR A 51 101.002 -2.432 -9.822 1.00 0.00 C ATOM 814 C TYR A 51 102.132 -2.229 -10.833 1.00 0.00 C ATOM 815 O TYR A 51 102.584 -1.122 -11.041 1.00 0.00 O ATOM 816 CB TYR A 51 101.276 -1.566 -8.590 1.00 0.00 C ATOM 817 CG TYR A 51 100.095 -1.624 -7.656 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.951 -2.702 -6.775 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.141 -0.601 -7.672 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.854 -2.756 -5.911 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.044 -0.655 -6.809 1.00 0.00 C ATOM 822 CZ TYR A 51 97.899 -1.733 -5.926 1.00 0.00 C ATOM 823 OH TYR A 51 96.814 -1.786 -5.075 1.00 0.00 O ATOM 0 H TYR A 51 101.715 -4.182 -8.832 1.00 0.00 H new ATOM 0 HA TYR A 51 100.053 -2.148 -10.277 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.173 -1.916 -8.080 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.463 -0.535 -8.892 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.687 -3.492 -6.763 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.253 0.231 -8.352 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.743 -3.588 -5.231 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.307 0.135 -6.822 1.00 0.00 H new ATOM 0 HH TYR A 51 96.250 -0.997 -5.214 1.00 0.00 H new ATOM 833 N SER A 52 102.603 -3.279 -11.456 1.00 0.00 N ATOM 834 CA SER A 52 103.715 -3.117 -12.438 1.00 0.00 C ATOM 835 C SER A 52 104.760 -2.178 -11.833 1.00 0.00 C ATOM 836 O SER A 52 105.189 -1.223 -12.448 1.00 0.00 O ATOM 837 CB SER A 52 103.172 -2.516 -13.736 1.00 0.00 C ATOM 838 OG SER A 52 102.918 -3.561 -14.666 1.00 0.00 O ATOM 0 H SER A 52 102.268 -4.234 -11.328 1.00 0.00 H new ATOM 0 HA SER A 52 104.164 -4.085 -12.659 1.00 0.00 H new ATOM 0 HB2 SER A 52 102.256 -1.959 -13.538 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.890 -1.810 -14.152 1.00 0.00 H new ATOM 0 HG SER A 52 102.568 -3.180 -15.499 1.00 0.00 H new ATOM 844 N VAL A 53 105.142 -2.439 -10.614 1.00 0.00 N ATOM 845 CA VAL A 53 106.132 -1.568 -9.920 1.00 0.00 C ATOM 846 C VAL A 53 107.209 -1.073 -10.881 1.00 0.00 C ATOM 847 O VAL A 53 107.843 -1.841 -11.577 1.00 0.00 O ATOM 848 CB VAL A 53 106.801 -2.356 -8.793 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.851 -2.437 -7.601 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.137 -3.767 -9.279 1.00 0.00 C ATOM 0 H VAL A 53 104.806 -3.228 -10.062 1.00 0.00 H new ATOM 0 HA VAL A 53 105.599 -0.705 -9.521 1.00 0.00 H new ATOM 0 HB VAL A 53 107.720 -1.853 -8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.325 -2.998 -6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.617 -1.431 -7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.932 -2.940 -7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.614 -4.325 -8.473 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.221 -4.276 -9.581 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.816 -3.707 -10.130 1.00 0.00 H new ATOM 860 N THR A 54 107.448 0.212 -10.888 1.00 0.00 N ATOM 861 CA THR A 54 108.513 0.767 -11.763 1.00 0.00 C ATOM 862 C THR A 54 109.870 0.361 -11.179 1.00 0.00 C ATOM 863 O THR A 54 110.909 0.586 -11.768 1.00 0.00 O ATOM 864 CB THR A 54 108.404 2.294 -11.798 1.00 0.00 C ATOM 865 OG1 THR A 54 107.036 2.667 -11.880 1.00 0.00 O ATOM 866 CG2 THR A 54 109.156 2.834 -13.014 1.00 0.00 C ATOM 0 H THR A 54 106.949 0.899 -10.323 1.00 0.00 H new ATOM 0 HA THR A 54 108.408 0.383 -12.778 1.00 0.00 H new ATOM 0 HB THR A 54 108.841 2.711 -10.890 1.00 0.00 H new ATOM 0 HG1 THR A 54 106.964 3.644 -11.901 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.077 3.921 -13.037 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.206 2.547 -12.949 1.00 0.00 H new ATOM 0 HG23 THR A 54 108.722 2.419 -13.924 1.00 0.00 H new ATOM 874 N PHE A 55 109.857 -0.238 -10.016 1.00 0.00 N ATOM 875 CA PHE A 55 111.120 -0.668 -9.362 1.00 0.00 C ATOM 876 C PHE A 55 110.787 -1.154 -7.952 1.00 0.00 C ATOM 877 O PHE A 55 110.216 -0.430 -7.161 1.00 0.00 O ATOM 878 CB PHE A 55 112.084 0.521 -9.289 1.00 0.00 C ATOM 879 CG PHE A 55 113.121 0.276 -8.212 1.00 0.00 C ATOM 880 CD1 PHE A 55 113.984 -0.820 -8.305 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.208 1.145 -7.120 1.00 0.00 C ATOM 882 CE1 PHE A 55 114.935 -1.045 -7.307 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.157 0.920 -6.118 1.00 0.00 C ATOM 884 CZ PHE A 55 115.023 -0.177 -6.214 1.00 0.00 C ATOM 0 H PHE A 55 109.010 -0.448 -9.488 1.00 0.00 H new ATOM 0 HA PHE A 55 111.591 -1.470 -9.931 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.574 0.664 -10.252 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.532 1.436 -9.074 1.00 0.00 H new ATOM 0 HD1 PHE A 55 113.915 -1.492 -9.148 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.541 1.992 -7.050 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.603 -1.890 -7.380 1.00 0.00 H new ATOM 0 HE2 PHE A 55 114.222 1.590 -5.273 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.759 -0.353 -5.443 1.00 0.00 H new ATOM 894 N ILE A 56 111.133 -2.365 -7.623 1.00 0.00 N ATOM 895 CA ILE A 56 110.820 -2.862 -6.259 1.00 0.00 C ATOM 896 C ILE A 56 112.037 -3.574 -5.674 1.00 0.00 C ATOM 897 O ILE A 56 112.443 -4.615 -6.150 1.00 0.00 O ATOM 898 CB ILE A 56 109.645 -3.832 -6.323 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.447 -4.479 -4.950 1.00 0.00 C ATOM 900 CG2 ILE A 56 109.940 -4.913 -7.359 1.00 0.00 C ATOM 901 CD1 ILE A 56 108.265 -5.449 -5.005 1.00 0.00 C ATOM 0 H ILE A 56 111.614 -3.026 -8.233 1.00 0.00 H new ATOM 0 HA ILE A 56 110.558 -2.016 -5.623 1.00 0.00 H new ATOM 0 HB ILE A 56 108.739 -3.295 -6.605 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.352 -5.009 -4.653 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.266 -3.711 -4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.102 -5.609 -7.408 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.085 -4.451 -8.336 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.843 -5.453 -7.075 1.00 0.00 H new ATOM 0 HD11 ILE A 56 108.126 -5.909 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.362 -4.906 -5.283 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.465 -6.224 -5.745 1.00 0.00 H new ATOM 913 N SER A 57 112.628 -3.018 -4.653 1.00 0.00 N ATOM 914 CA SER A 57 113.828 -3.666 -4.050 1.00 0.00 C ATOM 915 C SER A 57 113.562 -4.067 -2.601 1.00 0.00 C ATOM 916 O SER A 57 113.106 -3.280 -1.796 1.00 0.00 O ATOM 917 CB SER A 57 114.995 -2.687 -4.075 1.00 0.00 C ATOM 918 OG SER A 57 116.216 -3.407 -3.984 1.00 0.00 O ATOM 0 H SER A 57 112.334 -2.147 -4.211 1.00 0.00 H new ATOM 0 HA SER A 57 114.062 -4.559 -4.629 1.00 0.00 H new ATOM 0 HB2 SER A 57 114.973 -2.101 -4.994 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.912 -1.984 -3.246 1.00 0.00 H new ATOM 0 HG SER A 57 116.832 -2.932 -3.389 1.00 0.00 H new ATOM 924 N ARG A 58 113.883 -5.283 -2.260 1.00 0.00 N ATOM 925 CA ARG A 58 113.696 -5.742 -0.859 1.00 0.00 C ATOM 926 C ARG A 58 115.036 -5.594 -0.137 1.00 0.00 C ATOM 927 O ARG A 58 115.970 -6.324 -0.395 1.00 0.00 O ATOM 928 CB ARG A 58 113.265 -7.211 -0.847 1.00 0.00 C ATOM 929 CG ARG A 58 111.743 -7.298 -0.970 1.00 0.00 C ATOM 930 CD ARG A 58 111.273 -8.686 -0.528 1.00 0.00 C ATOM 931 NE ARG A 58 111.852 -9.719 -1.432 1.00 0.00 N ATOM 932 CZ ARG A 58 112.621 -10.654 -0.944 1.00 0.00 C ATOM 933 NH1 ARG A 58 112.246 -11.322 0.112 1.00 0.00 N ATOM 934 NH2 ARG A 58 113.765 -10.921 -1.512 1.00 0.00 N ATOM 0 H ARG A 58 114.269 -5.981 -2.896 1.00 0.00 H new ATOM 0 HA ARG A 58 112.926 -5.150 -0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 58 113.738 -7.746 -1.670 1.00 0.00 H new ATOM 0 HB3 ARG A 58 113.594 -7.690 0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 58 111.273 -6.530 -0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 58 111.440 -7.111 -2.000 1.00 0.00 H new ATOM 0 HD2 ARG A 58 111.580 -8.875 0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 58 110.184 -8.737 -0.550 1.00 0.00 H new ATOM 0 HE ARG A 58 111.648 -9.696 -2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 58 111.352 -11.114 0.556 1.00 0.00 H new ATOM 0 HH12 ARG A 58 112.847 -12.053 0.493 1.00 0.00 H new ATOM 0 HH21 ARG A 58 114.059 -10.399 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 58 114.366 -11.652 -1.130 1.00 0.00 H new ATOM 948 N HIS A 59 115.154 -4.640 0.743 1.00 0.00 N ATOM 949 CA HIS A 59 116.453 -4.443 1.449 1.00 0.00 C ATOM 950 C HIS A 59 116.357 -4.956 2.885 1.00 0.00 C ATOM 951 O HIS A 59 115.301 -5.318 3.359 1.00 0.00 O ATOM 952 CB HIS A 59 116.799 -2.954 1.467 1.00 0.00 C ATOM 953 CG HIS A 59 116.992 -2.468 0.057 1.00 0.00 C ATOM 954 ND1 HIS A 59 118.218 -2.024 -0.410 1.00 0.00 N ATOM 955 CD2 HIS A 59 116.123 -2.352 -1.000 1.00 0.00 C ATOM 956 CE1 HIS A 59 118.056 -1.665 -1.697 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.798 -1.844 -2.107 1.00 0.00 N ATOM 0 H HIS A 59 114.412 -3.990 1.004 1.00 0.00 H new ATOM 0 HA HIS A 59 117.230 -4.999 0.924 1.00 0.00 H new ATOM 0 HB2 HIS A 59 116.002 -2.390 1.952 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.706 -2.787 2.048 1.00 0.00 H new ATOM 0 HD1 HIS A 59 119.086 -1.978 0.124 1.00 0.00 H new ATOM 0 HD2 HIS A 59 115.076 -2.615 -0.976 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.848 -1.279 -2.322 1.00 0.00 H new ATOM 965 N ASN A 60 117.461 -4.980 3.582 1.00 0.00 N ATOM 966 CA ASN A 60 117.452 -5.456 4.993 1.00 0.00 C ATOM 967 C ASN A 60 117.876 -4.304 5.905 1.00 0.00 C ATOM 968 O ASN A 60 118.946 -3.747 5.756 1.00 0.00 O ATOM 969 CB ASN A 60 118.435 -6.618 5.149 1.00 0.00 C ATOM 970 CG ASN A 60 117.823 -7.886 4.553 1.00 0.00 C ATOM 971 OD1 ASN A 60 118.477 -8.607 3.825 1.00 0.00 O ATOM 972 ND2 ASN A 60 116.587 -8.192 4.834 1.00 0.00 N ATOM 0 H ASN A 60 118.373 -4.688 3.231 1.00 0.00 H new ATOM 0 HA ASN A 60 116.452 -5.795 5.262 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.374 -6.384 4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.667 -6.774 6.203 1.00 0.00 H new ATOM 0 HD21 ASN A 60 116.169 -9.036 4.443 1.00 0.00 H new ATOM 0 HD22 ASN A 60 116.038 -7.587 5.445 1.00 0.00 H new ATOM 979 N SER A 61 117.047 -3.933 6.839 1.00 0.00 N ATOM 980 CA SER A 61 117.411 -2.807 7.744 1.00 0.00 C ATOM 981 C SER A 61 118.014 -3.352 9.040 1.00 0.00 C ATOM 982 O SER A 61 119.204 -3.570 9.138 1.00 0.00 O ATOM 983 CB SER A 61 116.161 -1.986 8.066 1.00 0.00 C ATOM 984 OG SER A 61 115.057 -2.863 8.248 1.00 0.00 O ATOM 0 H SER A 61 116.137 -4.358 7.015 1.00 0.00 H new ATOM 0 HA SER A 61 118.146 -2.173 7.248 1.00 0.00 H new ATOM 0 HB2 SER A 61 116.323 -1.394 8.967 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.954 -1.285 7.257 1.00 0.00 H new ATOM 0 HG SER A 61 114.297 -2.361 8.610 1.00 0.00 H new ATOM 990 N TYR A 62 117.203 -3.562 10.041 1.00 0.00 N ATOM 991 CA TYR A 62 117.734 -4.080 11.332 1.00 0.00 C ATOM 992 C TYR A 62 117.284 -5.528 11.529 1.00 0.00 C ATOM 993 O TYR A 62 118.090 -6.431 11.636 1.00 0.00 O ATOM 994 CB TYR A 62 117.198 -3.217 12.478 1.00 0.00 C ATOM 995 CG TYR A 62 117.088 -1.783 12.015 1.00 0.00 C ATOM 996 CD1 TYR A 62 118.028 -1.264 11.115 1.00 0.00 C ATOM 997 CD2 TYR A 62 116.048 -0.970 12.482 1.00 0.00 C ATOM 998 CE1 TYR A 62 117.927 0.063 10.684 1.00 0.00 C ATOM 999 CE2 TYR A 62 115.948 0.356 12.053 1.00 0.00 C ATOM 1000 CZ TYR A 62 116.887 0.874 11.152 1.00 0.00 C ATOM 1001 OH TYR A 62 116.788 2.183 10.730 1.00 0.00 O ATOM 0 H TYR A 62 116.197 -3.397 10.020 1.00 0.00 H new ATOM 0 HA TYR A 62 118.823 -4.041 11.321 1.00 0.00 H new ATOM 0 HB2 TYR A 62 116.223 -3.583 12.799 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.862 -3.283 13.340 1.00 0.00 H new ATOM 0 HD1 TYR A 62 118.831 -1.889 10.754 1.00 0.00 H new ATOM 0 HD2 TYR A 62 115.322 -1.369 13.175 1.00 0.00 H new ATOM 0 HE1 TYR A 62 118.652 0.462 9.990 1.00 0.00 H new ATOM 0 HE2 TYR A 62 115.146 0.982 12.416 1.00 0.00 H new ATOM 0 HH TYR A 62 117.683 2.532 10.534 1.00 0.00 H new ATOM 1011 N ASN A 63 116.002 -5.758 11.576 1.00 0.00 N ATOM 1012 CA ASN A 63 115.499 -7.148 11.765 1.00 0.00 C ATOM 1013 C ASN A 63 114.351 -7.408 10.791 1.00 0.00 C ATOM 1014 O ASN A 63 113.534 -8.282 11.001 1.00 0.00 O ATOM 1015 CB ASN A 63 114.997 -7.317 13.199 1.00 0.00 C ATOM 1016 CG ASN A 63 116.111 -6.940 14.177 1.00 0.00 C ATOM 1017 OD1 ASN A 63 117.257 -6.820 13.792 1.00 0.00 O ATOM 1018 ND2 ASN A 63 115.821 -6.748 15.434 1.00 0.00 N ATOM 0 H ASN A 63 115.279 -5.043 11.492 1.00 0.00 H new ATOM 0 HA ASN A 63 116.306 -7.856 11.576 1.00 0.00 H new ATOM 0 HB2 ASN A 63 114.123 -6.687 13.366 1.00 0.00 H new ATOM 0 HB3 ASN A 63 114.684 -8.348 13.367 1.00 0.00 H new ATOM 0 HD21 ASN A 63 116.557 -6.497 16.095 1.00 0.00 H new ATOM 0 HD22 ASN A 63 114.859 -6.849 15.757 1.00 0.00 H new ATOM 1025 N HIS A 64 114.279 -6.655 9.729 1.00 0.00 N ATOM 1026 CA HIS A 64 113.178 -6.861 8.749 1.00 0.00 C ATOM 1027 C HIS A 64 113.626 -6.403 7.363 1.00 0.00 C ATOM 1028 O HIS A 64 114.786 -6.120 7.138 1.00 0.00 O ATOM 1029 CB HIS A 64 111.956 -6.065 9.199 1.00 0.00 C ATOM 1030 CG HIS A 64 111.463 -6.645 10.492 1.00 0.00 C ATOM 1031 ND1 HIS A 64 111.429 -5.917 11.669 1.00 0.00 N ATOM 1032 CD2 HIS A 64 111.003 -7.898 10.814 1.00 0.00 C ATOM 1033 CE1 HIS A 64 110.964 -6.731 12.633 1.00 0.00 C ATOM 1034 NE2 HIS A 64 110.689 -7.949 12.165 1.00 0.00 N ATOM 0 H HIS A 64 114.934 -5.908 9.498 1.00 0.00 H new ATOM 0 HA HIS A 64 112.922 -7.919 8.699 1.00 0.00 H new ATOM 0 HB2 HIS A 64 112.215 -5.014 9.329 1.00 0.00 H new ATOM 0 HB3 HIS A 64 111.174 -6.109 8.441 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.901 -8.720 10.121 1.00 0.00 H new ATOM 0 HE1 HIS A 64 110.829 -6.434 13.663 1.00 0.00 H new ATOM 0 HE2 HIS A 64 110.326 -8.746 12.687 1.00 0.00 H new ATOM 1042 N ASN A 65 112.723 -6.346 6.422 1.00 0.00 N ATOM 1043 CA ASN A 65 113.118 -5.924 5.051 1.00 0.00 C ATOM 1044 C ASN A 65 112.239 -4.766 4.570 1.00 0.00 C ATOM 1045 O ASN A 65 111.045 -4.726 4.812 1.00 0.00 O ATOM 1046 CB ASN A 65 112.962 -7.106 4.093 1.00 0.00 C ATOM 1047 CG ASN A 65 113.776 -8.296 4.607 1.00 0.00 C ATOM 1048 OD1 ASN A 65 114.121 -8.355 5.769 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.098 -9.255 3.783 1.00 0.00 N ATOM 0 H ASN A 65 111.736 -6.572 6.543 1.00 0.00 H new ATOM 0 HA ASN A 65 114.156 -5.593 5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 65 111.911 -7.381 4.008 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.300 -6.825 3.095 1.00 0.00 H new ATOM 0 HD21 ASN A 65 114.639 -10.053 4.116 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.809 -9.207 2.806 1.00 0.00 H new ATOM 1056 N ILE A 66 112.828 -3.831 3.872 1.00 0.00 N ATOM 1057 CA ILE A 66 112.046 -2.680 3.347 1.00 0.00 C ATOM 1058 C ILE A 66 111.632 -2.989 1.911 1.00 0.00 C ATOM 1059 O ILE A 66 112.405 -2.827 0.986 1.00 0.00 O ATOM 1060 CB ILE A 66 112.913 -1.411 3.371 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.948 -0.850 4.796 1.00 0.00 C ATOM 1062 CG2 ILE A 66 112.331 -0.351 2.422 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.460 -1.927 5.755 1.00 0.00 C ATOM 0 H ILE A 66 113.822 -3.818 3.643 1.00 0.00 H new ATOM 0 HA ILE A 66 111.163 -2.517 3.965 1.00 0.00 H new ATOM 0 HB ILE A 66 113.922 -1.664 3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 66 113.595 0.026 4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.951 -0.525 5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.954 0.543 2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 66 112.306 -0.746 1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 66 111.319 -0.097 2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.485 -1.529 6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 66 112.796 -2.790 5.721 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.464 -2.230 5.459 1.00 0.00 H new ATOM 1075 N LEU A 67 110.422 -3.427 1.708 1.00 0.00 N ATOM 1076 CA LEU A 67 109.983 -3.728 0.322 1.00 0.00 C ATOM 1077 C LEU A 67 109.632 -2.414 -0.359 1.00 0.00 C ATOM 1078 O LEU A 67 108.493 -1.990 -0.397 1.00 0.00 O ATOM 1079 CB LEU A 67 108.765 -4.649 0.340 1.00 0.00 C ATOM 1080 CG LEU A 67 108.354 -4.975 -1.097 1.00 0.00 C ATOM 1081 CD1 LEU A 67 108.691 -6.433 -1.410 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.850 -4.759 -1.256 1.00 0.00 C ATOM 0 H LEU A 67 109.725 -3.588 2.435 1.00 0.00 H new ATOM 0 HA LEU A 67 110.782 -4.233 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.997 -5.567 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.940 -4.169 0.866 1.00 0.00 H new ATOM 0 HG LEU A 67 108.893 -4.323 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.397 -6.663 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 67 109.763 -6.591 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 67 108.153 -7.086 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.555 -4.991 -2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.314 -5.412 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.606 -3.720 -1.035 1.00 0.00 H new ATOM 1094 N PHE A 68 110.622 -1.772 -0.891 1.00 0.00 N ATOM 1095 CA PHE A 68 110.417 -0.474 -1.576 1.00 0.00 C ATOM 1096 C PHE A 68 109.845 -0.748 -2.964 1.00 0.00 C ATOM 1097 O PHE A 68 110.375 -1.555 -3.693 1.00 0.00 O ATOM 1098 CB PHE A 68 111.790 0.183 -1.707 1.00 0.00 C ATOM 1099 CG PHE A 68 111.710 1.670 -1.493 1.00 0.00 C ATOM 1100 CD1 PHE A 68 110.815 2.223 -0.569 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.554 2.498 -2.230 1.00 0.00 C ATOM 1102 CE1 PHE A 68 110.769 3.607 -0.390 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.512 3.878 -2.056 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.618 4.439 -1.135 1.00 0.00 C ATOM 0 H PHE A 68 111.588 -2.099 -0.881 1.00 0.00 H new ATOM 0 HA PHE A 68 109.733 0.172 -1.025 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.475 -0.254 -0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.200 -0.022 -2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.162 1.581 0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.244 2.067 -2.940 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.080 4.037 0.322 1.00 0.00 H new ATOM 0 HE2 PHE A 68 113.168 4.516 -2.630 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.582 5.510 -0.999 1.00 0.00 H new ATOM 1114 N PHE A 69 108.768 -0.106 -3.344 1.00 0.00 N ATOM 1115 CA PHE A 69 108.210 -0.386 -4.699 1.00 0.00 C ATOM 1116 C PHE A 69 107.554 0.862 -5.292 1.00 0.00 C ATOM 1117 O PHE A 69 106.867 1.610 -4.621 1.00 0.00 O ATOM 1118 CB PHE A 69 107.183 -1.524 -4.621 1.00 0.00 C ATOM 1119 CG PHE A 69 105.910 -1.039 -3.967 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.945 -0.542 -2.661 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.688 -1.098 -4.661 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.768 -0.104 -2.050 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.513 -0.661 -4.045 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.552 -0.163 -2.739 1.00 0.00 C ATOM 0 H PHE A 69 108.262 0.584 -2.788 1.00 0.00 H new ATOM 0 HA PHE A 69 109.033 -0.684 -5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.966 -1.896 -5.622 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.596 -2.358 -4.053 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.881 -0.497 -2.125 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.658 -1.481 -5.670 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.797 0.282 -1.042 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.574 -0.708 -4.577 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.644 0.176 -2.263 1.00 0.00 H new ATOM 1134 N LEU A 70 107.760 1.070 -6.565 1.00 0.00 N ATOM 1135 CA LEU A 70 107.159 2.241 -7.258 1.00 0.00 C ATOM 1136 C LEU A 70 105.920 1.763 -8.013 1.00 0.00 C ATOM 1137 O LEU A 70 105.541 0.613 -7.924 1.00 0.00 O ATOM 1138 CB LEU A 70 108.169 2.802 -8.264 1.00 0.00 C ATOM 1139 CG LEU A 70 108.498 4.256 -7.929 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.268 4.316 -6.610 1.00 0.00 C ATOM 1141 CD2 LEU A 70 109.359 4.847 -9.050 1.00 0.00 C ATOM 0 H LEU A 70 108.328 0.468 -7.161 1.00 0.00 H new ATOM 0 HA LEU A 70 106.893 3.014 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 70 109.079 2.203 -8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.762 2.737 -9.273 1.00 0.00 H new ATOM 0 HG LEU A 70 107.575 4.828 -7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.502 5.354 -6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 70 108.659 3.890 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 70 110.193 3.747 -6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.597 5.885 -8.817 1.00 0.00 H new ATOM 0 HD22 LEU A 70 110.282 4.274 -9.140 1.00 0.00 H new ATOM 0 HD23 LEU A 70 108.811 4.803 -9.991 1.00 0.00 H new ATOM 1153 N THR A 71 105.293 2.623 -8.763 1.00 0.00 N ATOM 1154 CA THR A 71 104.091 2.193 -9.530 1.00 0.00 C ATOM 1155 C THR A 71 103.851 3.179 -10.680 1.00 0.00 C ATOM 1156 O THR A 71 104.106 4.359 -10.545 1.00 0.00 O ATOM 1157 CB THR A 71 102.874 2.166 -8.607 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.796 3.393 -7.895 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.996 1.002 -7.615 1.00 0.00 C ATOM 0 H THR A 71 105.558 3.601 -8.879 1.00 0.00 H new ATOM 0 HA THR A 71 104.251 1.193 -9.934 1.00 0.00 H new ATOM 0 HB THR A 71 101.972 2.031 -9.204 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.887 3.752 -7.961 1.00 0.00 H new ATOM 0 HG21 THR A 71 102.125 0.989 -6.960 1.00 0.00 H new ATOM 0 HG22 THR A 71 103.052 0.061 -8.163 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.898 1.127 -7.016 1.00 0.00 H new ATOM 1167 N PRO A 72 103.375 2.661 -11.786 1.00 0.00 N ATOM 1168 CA PRO A 72 103.098 3.469 -12.987 1.00 0.00 C ATOM 1169 C PRO A 72 101.795 4.257 -12.822 1.00 0.00 C ATOM 1170 O PRO A 72 101.810 5.432 -12.513 1.00 0.00 O ATOM 1171 CB PRO A 72 102.982 2.427 -14.104 1.00 0.00 C ATOM 1172 CG PRO A 72 102.640 1.085 -13.414 1.00 0.00 C ATOM 1173 CD PRO A 72 103.064 1.226 -11.939 1.00 0.00 C ATOM 0 HA PRO A 72 103.868 4.214 -13.189 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.206 2.706 -14.817 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.915 2.350 -14.662 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.574 0.870 -13.492 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.167 0.259 -13.891 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.266 0.918 -11.264 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.930 0.605 -11.713 1.00 0.00 H new ATOM 1181 N HIS A 73 100.668 3.628 -13.027 1.00 0.00 N ATOM 1182 CA HIS A 73 99.379 4.364 -12.877 1.00 0.00 C ATOM 1183 C HIS A 73 99.389 5.127 -11.550 1.00 0.00 C ATOM 1184 O HIS A 73 100.317 5.023 -10.772 1.00 0.00 O ATOM 1185 CB HIS A 73 98.202 3.379 -12.910 1.00 0.00 C ATOM 1186 CG HIS A 73 98.371 2.322 -11.851 1.00 0.00 C ATOM 1187 ND1 HIS A 73 97.469 2.173 -10.808 1.00 0.00 N ATOM 1188 CD2 HIS A 73 99.319 1.347 -11.668 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.891 1.142 -10.051 1.00 0.00 C ATOM 1190 NE2 HIS A 73 99.014 0.603 -10.531 1.00 0.00 N ATOM 0 H HIS A 73 100.584 2.646 -13.289 1.00 0.00 H new ATOM 0 HA HIS A 73 99.264 5.068 -13.701 1.00 0.00 H new ATOM 0 HB2 HIS A 73 97.266 3.915 -12.751 1.00 0.00 H new ATOM 0 HB3 HIS A 73 98.139 2.911 -13.893 1.00 0.00 H new ATOM 0 HD2 HIS A 73 100.173 1.182 -12.309 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.383 0.794 -9.164 1.00 0.00 H new ATOM 0 HE2 HIS A 73 99.536 -0.185 -10.147 1.00 0.00 H new ATOM 1198 N ARG A 74 98.375 5.905 -11.287 1.00 0.00 N ATOM 1199 CA ARG A 74 98.344 6.678 -10.012 1.00 0.00 C ATOM 1200 C ARG A 74 97.376 6.019 -9.031 1.00 0.00 C ATOM 1201 O ARG A 74 96.369 5.459 -9.416 1.00 0.00 O ATOM 1202 CB ARG A 74 97.885 8.109 -10.295 1.00 0.00 C ATOM 1203 CG ARG A 74 99.102 8.988 -10.591 1.00 0.00 C ATOM 1204 CD ARG A 74 98.920 9.670 -11.949 1.00 0.00 C ATOM 1205 NE ARG A 74 100.113 10.514 -12.243 1.00 0.00 N ATOM 1206 CZ ARG A 74 100.412 10.814 -13.478 1.00 0.00 C ATOM 1207 NH1 ARG A 74 99.768 11.769 -14.091 1.00 0.00 N ATOM 1208 NH2 ARG A 74 101.354 10.160 -14.098 1.00 0.00 N ATOM 0 H ARG A 74 97.569 6.039 -11.897 1.00 0.00 H new ATOM 0 HA ARG A 74 99.343 6.693 -9.577 1.00 0.00 H new ATOM 0 HB2 ARG A 74 97.200 8.121 -11.143 1.00 0.00 H new ATOM 0 HB3 ARG A 74 97.339 8.503 -9.438 1.00 0.00 H new ATOM 0 HG2 ARG A 74 99.222 9.738 -9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 74 100.009 8.383 -10.594 1.00 0.00 H new ATOM 0 HD2 ARG A 74 98.789 8.921 -12.730 1.00 0.00 H new ATOM 0 HD3 ARG A 74 98.019 10.284 -11.942 1.00 0.00 H new ATOM 0 HE ARG A 74 100.696 10.857 -11.479 1.00 0.00 H new ATOM 0 HH11 ARG A 74 99.031 12.281 -13.605 1.00 0.00 H new ATOM 0 HH12 ARG A 74 100.001 12.004 -15.056 1.00 0.00 H new ATOM 0 HH21 ARG A 74 101.857 9.414 -13.618 1.00 0.00 H new ATOM 0 HH22 ARG A 74 101.588 10.394 -15.063 1.00 0.00 H new ATOM 1222 N HIS A 75 97.677 6.080 -7.763 1.00 0.00 N ATOM 1223 CA HIS A 75 96.781 5.456 -6.748 1.00 0.00 C ATOM 1224 C HIS A 75 96.872 6.238 -5.441 1.00 0.00 C ATOM 1225 O HIS A 75 97.906 6.773 -5.094 1.00 0.00 O ATOM 1226 CB HIS A 75 97.201 4.003 -6.474 1.00 0.00 C ATOM 1227 CG HIS A 75 98.389 3.630 -7.314 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.324 3.549 -8.694 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.683 3.322 -6.981 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.547 3.207 -9.135 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.411 3.056 -8.131 1.00 0.00 N ATOM 0 H HIS A 75 98.507 6.536 -7.385 1.00 0.00 H new ATOM 0 HA HIS A 75 95.762 5.471 -7.134 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.443 3.881 -5.418 1.00 0.00 H new ATOM 0 HB3 HIS A 75 96.370 3.331 -6.690 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.500 3.718 -9.271 1.00 0.00 H new ATOM 0 HD2 HIS A 75 100.076 3.291 -5.975 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.799 3.071 -10.176 1.00 0.00 H new ATOM 1239 N ARG A 76 95.800 6.295 -4.702 1.00 0.00 N ATOM 1240 CA ARG A 76 95.832 7.023 -3.406 1.00 0.00 C ATOM 1241 C ARG A 76 96.466 6.112 -2.352 1.00 0.00 C ATOM 1242 O ARG A 76 96.330 4.905 -2.407 1.00 0.00 O ATOM 1243 CB ARG A 76 94.402 7.373 -2.986 1.00 0.00 C ATOM 1244 CG ARG A 76 94.425 8.552 -2.014 1.00 0.00 C ATOM 1245 CD ARG A 76 93.578 9.693 -2.580 1.00 0.00 C ATOM 1246 NE ARG A 76 92.134 9.392 -2.369 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.293 10.360 -2.124 1.00 0.00 C ATOM 1248 NH1 ARG A 76 91.134 11.322 -2.992 1.00 0.00 N ATOM 1249 NH2 ARG A 76 90.613 10.367 -1.011 1.00 0.00 N ATOM 0 H ARG A 76 94.904 5.869 -4.940 1.00 0.00 H new ATOM 0 HA ARG A 76 96.412 7.941 -3.504 1.00 0.00 H new ATOM 0 HB2 ARG A 76 93.806 7.624 -3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 76 93.929 6.511 -2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 76 94.038 8.244 -1.043 1.00 0.00 H new ATOM 0 HG3 ARG A 76 95.450 8.888 -1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 76 93.840 10.631 -2.091 1.00 0.00 H new ATOM 0 HD3 ARG A 76 93.783 9.819 -3.643 1.00 0.00 H new ATOM 0 HE ARG A 76 91.802 8.429 -2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 76 91.667 11.317 -3.862 1.00 0.00 H new ATOM 0 HH12 ARG A 76 90.477 12.078 -2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 76 90.738 9.616 -0.332 1.00 0.00 H new ATOM 0 HH22 ARG A 76 89.956 11.123 -0.820 1.00 0.00 H new ATOM 1263 N VAL A 77 97.159 6.665 -1.398 1.00 0.00 N ATOM 1264 CA VAL A 77 97.789 5.804 -0.360 1.00 0.00 C ATOM 1265 C VAL A 77 96.702 4.963 0.313 1.00 0.00 C ATOM 1266 O VAL A 77 96.972 3.923 0.880 1.00 0.00 O ATOM 1267 CB VAL A 77 98.508 6.681 0.672 1.00 0.00 C ATOM 1268 CG1 VAL A 77 98.706 5.905 1.978 1.00 0.00 C ATOM 1269 CG2 VAL A 77 99.873 7.081 0.113 1.00 0.00 C ATOM 0 H VAL A 77 97.316 7.667 -1.292 1.00 0.00 H new ATOM 0 HA VAL A 77 98.523 5.141 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 77 97.907 7.568 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.218 6.538 2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 77 97.735 5.609 2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.306 5.016 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 77 100.394 7.705 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.462 6.185 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 77 99.737 7.638 -0.814 1.00 0.00 H new ATOM 1279 N SER A 78 95.474 5.396 0.240 1.00 0.00 N ATOM 1280 CA SER A 78 94.374 4.607 0.858 1.00 0.00 C ATOM 1281 C SER A 78 94.186 3.325 0.048 1.00 0.00 C ATOM 1282 O SER A 78 93.958 2.261 0.587 1.00 0.00 O ATOM 1283 CB SER A 78 93.080 5.421 0.837 1.00 0.00 C ATOM 1284 OG SER A 78 91.983 4.564 1.121 1.00 0.00 O ATOM 0 H SER A 78 95.186 6.260 -0.220 1.00 0.00 H new ATOM 0 HA SER A 78 94.622 4.366 1.892 1.00 0.00 H new ATOM 0 HB2 SER A 78 93.130 6.224 1.573 1.00 0.00 H new ATOM 0 HB3 SER A 78 92.947 5.890 -0.138 1.00 0.00 H new ATOM 0 HG SER A 78 91.416 4.975 1.807 1.00 0.00 H new ATOM 1290 N ALA A 79 94.292 3.423 -1.250 1.00 0.00 N ATOM 1291 CA ALA A 79 94.134 2.217 -2.108 1.00 0.00 C ATOM 1292 C ALA A 79 95.311 1.269 -1.859 1.00 0.00 C ATOM 1293 O ALA A 79 95.136 0.151 -1.418 1.00 0.00 O ATOM 1294 CB ALA A 79 94.120 2.643 -3.578 1.00 0.00 C ATOM 0 H ALA A 79 94.482 4.290 -1.753 1.00 0.00 H new ATOM 0 HA ALA A 79 93.199 1.710 -1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 79 94.004 1.763 -4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.288 3.326 -3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 79 95.057 3.144 -3.821 1.00 0.00 H new ATOM 1300 N ILE A 80 96.511 1.712 -2.127 1.00 0.00 N ATOM 1301 CA ILE A 80 97.695 0.839 -1.891 1.00 0.00 C ATOM 1302 C ILE A 80 97.663 0.356 -0.444 1.00 0.00 C ATOM 1303 O ILE A 80 98.154 -0.705 -0.119 1.00 0.00 O ATOM 1304 CB ILE A 80 98.981 1.633 -2.134 1.00 0.00 C ATOM 1305 CG1 ILE A 80 99.008 2.133 -3.581 1.00 0.00 C ATOM 1306 CG2 ILE A 80 100.194 0.733 -1.882 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.317 0.969 -4.523 1.00 0.00 C ATOM 0 H ILE A 80 96.721 2.639 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 80 97.669 -0.012 -2.572 1.00 0.00 H new ATOM 0 HB ILE A 80 99.014 2.485 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 80 98.047 2.578 -3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.761 2.913 -3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 80 101.109 1.299 -2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 80 100.176 0.378 -0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 80 100.161 -0.120 -2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 80 99.335 1.329 -5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.288 0.544 -4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.548 0.203 -4.420 1.00 0.00 H new ATOM 1319 N ASN A 81 97.077 1.129 0.427 1.00 0.00 N ATOM 1320 CA ASN A 81 96.997 0.719 1.854 1.00 0.00 C ATOM 1321 C ASN A 81 96.032 -0.461 1.972 1.00 0.00 C ATOM 1322 O ASN A 81 96.260 -1.393 2.712 1.00 0.00 O ATOM 1323 CB ASN A 81 96.484 1.893 2.692 1.00 0.00 C ATOM 1324 CG ASN A 81 96.030 1.388 4.064 1.00 0.00 C ATOM 1325 OD1 ASN A 81 95.167 1.974 4.686 1.00 0.00 O ATOM 1326 ND2 ASN A 81 96.581 0.317 4.563 1.00 0.00 N ATOM 0 H ASN A 81 96.649 2.029 0.210 1.00 0.00 H new ATOM 0 HA ASN A 81 97.983 0.426 2.216 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.270 2.639 2.810 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.655 2.382 2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 81 96.287 -0.029 5.476 1.00 0.00 H new ATOM 0 HD22 ASN A 81 97.306 -0.175 4.040 1.00 0.00 H new ATOM 1333 N ASN A 82 94.954 -0.423 1.241 1.00 0.00 N ATOM 1334 CA ASN A 82 93.969 -1.538 1.301 1.00 0.00 C ATOM 1335 C ASN A 82 94.651 -2.845 0.891 1.00 0.00 C ATOM 1336 O ASN A 82 94.376 -3.894 1.438 1.00 0.00 O ATOM 1337 CB ASN A 82 92.810 -1.247 0.346 1.00 0.00 C ATOM 1338 CG ASN A 82 91.946 -2.500 0.191 1.00 0.00 C ATOM 1339 OD1 ASN A 82 91.268 -2.902 1.116 1.00 0.00 O ATOM 1340 ND2 ASN A 82 91.941 -3.139 -0.946 1.00 0.00 N ATOM 0 H ASN A 82 94.712 0.335 0.602 1.00 0.00 H new ATOM 0 HA ASN A 82 93.588 -1.631 2.318 1.00 0.00 H new ATOM 0 HB2 ASN A 82 92.208 -0.423 0.729 1.00 0.00 H new ATOM 0 HB3 ASN A 82 93.195 -0.936 -0.625 1.00 0.00 H new ATOM 0 HD21 ASN A 82 91.368 -3.976 -1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 82 92.510 -2.802 -1.723 1.00 0.00 H new ATOM 1347 N TYR A 83 95.538 -2.795 -0.068 1.00 0.00 N ATOM 1348 CA TYR A 83 96.228 -4.045 -0.502 1.00 0.00 C ATOM 1349 C TYR A 83 97.360 -4.374 0.471 1.00 0.00 C ATOM 1350 O TYR A 83 97.316 -5.357 1.181 1.00 0.00 O ATOM 1351 CB TYR A 83 96.814 -3.863 -1.901 1.00 0.00 C ATOM 1352 CG TYR A 83 97.543 -5.128 -2.287 1.00 0.00 C ATOM 1353 CD1 TYR A 83 96.926 -6.368 -2.095 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.833 -5.065 -2.830 1.00 0.00 C ATOM 1355 CE1 TYR A 83 97.593 -7.544 -2.444 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.502 -6.242 -3.180 1.00 0.00 C ATOM 1357 CZ TYR A 83 98.881 -7.482 -2.987 1.00 0.00 C ATOM 1358 OH TYR A 83 99.535 -8.645 -3.329 1.00 0.00 O ATOM 0 H TYR A 83 95.813 -1.949 -0.566 1.00 0.00 H new ATOM 0 HA TYR A 83 95.502 -4.858 -0.515 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.021 -3.649 -2.618 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.496 -3.013 -1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 83 95.932 -6.416 -1.676 1.00 0.00 H new ATOM 0 HD2 TYR A 83 99.311 -4.108 -2.978 1.00 0.00 H new ATOM 0 HE1 TYR A 83 97.115 -8.501 -2.295 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.496 -6.195 -3.599 1.00 0.00 H new ATOM 0 HH TYR A 83 99.046 -9.095 -4.049 1.00 0.00 H new ATOM 1368 N ALA A 84 98.379 -3.561 0.502 1.00 0.00 N ATOM 1369 CA ALA A 84 99.517 -3.828 1.424 1.00 0.00 C ATOM 1370 C ALA A 84 98.981 -4.159 2.818 1.00 0.00 C ATOM 1371 O ALA A 84 99.640 -4.806 3.608 1.00 0.00 O ATOM 1372 CB ALA A 84 100.411 -2.590 1.501 1.00 0.00 C ATOM 0 H ALA A 84 98.473 -2.723 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 84 100.096 -4.672 1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.245 -2.785 2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.795 -2.356 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 84 99.832 -1.745 1.874 1.00 0.00 H new ATOM 1378 N GLN A 85 97.792 -3.720 3.130 1.00 0.00 N ATOM 1379 CA GLN A 85 97.224 -4.014 4.476 1.00 0.00 C ATOM 1380 C GLN A 85 96.515 -5.367 4.447 1.00 0.00 C ATOM 1381 O GLN A 85 96.579 -6.130 5.391 1.00 0.00 O ATOM 1382 CB GLN A 85 96.220 -2.926 4.861 1.00 0.00 C ATOM 1383 CG GLN A 85 95.472 -3.349 6.127 1.00 0.00 C ATOM 1384 CD GLN A 85 96.470 -3.554 7.268 1.00 0.00 C ATOM 1385 OE1 GLN A 85 96.471 -4.584 7.911 1.00 0.00 O ATOM 1386 NE2 GLN A 85 97.327 -2.610 7.546 1.00 0.00 N ATOM 0 H GLN A 85 97.191 -3.173 2.514 1.00 0.00 H new ATOM 0 HA GLN A 85 98.031 -4.039 5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 85 96.737 -1.982 5.030 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.515 -2.762 4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 85 94.742 -2.588 6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 85 94.919 -4.270 5.944 1.00 0.00 H new ATOM 0 HE21 GLN A 85 97.326 -1.745 7.006 1.00 0.00 H new ATOM 0 HE22 GLN A 85 97.998 -2.737 8.304 1.00 0.00 H new ATOM 1395 N LYS A 86 95.857 -5.688 3.365 1.00 0.00 N ATOM 1396 CA LYS A 86 95.174 -7.005 3.286 1.00 0.00 C ATOM 1397 C LYS A 86 96.249 -8.085 3.280 1.00 0.00 C ATOM 1398 O LYS A 86 95.979 -9.256 3.461 1.00 0.00 O ATOM 1399 CB LYS A 86 94.349 -7.086 1.998 1.00 0.00 C ATOM 1400 CG LYS A 86 92.860 -6.974 2.337 1.00 0.00 C ATOM 1401 CD LYS A 86 92.172 -8.311 2.058 1.00 0.00 C ATOM 1402 CE LYS A 86 92.033 -8.509 0.548 1.00 0.00 C ATOM 1403 NZ LYS A 86 92.259 -9.944 0.212 1.00 0.00 N ATOM 0 H LYS A 86 95.765 -5.097 2.539 1.00 0.00 H new ATOM 0 HA LYS A 86 94.503 -7.139 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 86 94.639 -6.286 1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 86 94.546 -8.028 1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 86 92.734 -6.700 3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.399 -6.185 1.743 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.751 -9.127 2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 86 91.190 -8.332 2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 86 91.041 -8.199 0.220 1.00 0.00 H new ATOM 0 HE3 LYS A 86 92.753 -7.883 0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 92.165 -10.079 -0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 93.215 -10.224 0.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 91.556 -10.531 0.704 1.00 0.00 H new ATOM 1417 N LEU A 87 97.474 -7.686 3.078 1.00 0.00 N ATOM 1418 CA LEU A 87 98.591 -8.656 3.061 1.00 0.00 C ATOM 1419 C LEU A 87 99.093 -8.864 4.489 1.00 0.00 C ATOM 1420 O LEU A 87 100.157 -9.397 4.709 1.00 0.00 O ATOM 1421 CB LEU A 87 99.718 -8.094 2.193 1.00 0.00 C ATOM 1422 CG LEU A 87 99.251 -8.031 0.738 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.769 -6.753 0.071 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.793 -9.245 -0.006 1.00 0.00 C ATOM 0 H LEU A 87 97.746 -6.715 2.923 1.00 0.00 H new ATOM 0 HA LEU A 87 98.257 -9.610 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 87 99.999 -7.100 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.605 -8.723 2.276 1.00 0.00 H new ATOM 0 HG LEU A 87 98.161 -8.027 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.430 -6.720 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.388 -5.883 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.859 -6.745 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.466 -9.211 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.882 -9.239 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 87 99.419 -10.156 0.462 1.00 0.00 H new ATOM 1436 N CYS A 88 98.337 -8.447 5.466 1.00 0.00 N ATOM 1437 CA CYS A 88 98.782 -8.624 6.876 1.00 0.00 C ATOM 1438 C CYS A 88 98.138 -9.884 7.459 1.00 0.00 C ATOM 1439 O CYS A 88 97.222 -9.813 8.254 1.00 0.00 O ATOM 1440 CB CYS A 88 98.361 -7.406 7.701 1.00 0.00 C ATOM 1441 SG CYS A 88 99.391 -7.300 9.187 1.00 0.00 S ATOM 0 H CYS A 88 97.432 -7.992 5.349 1.00 0.00 H new ATOM 0 HA CYS A 88 99.867 -8.724 6.905 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.465 -6.498 7.108 1.00 0.00 H new ATOM 0 HB3 CYS A 88 97.310 -7.487 7.979 1.00 0.00 H new ATOM 0 HG CYS A 88 100.352 -8.173 9.112 1.00 0.00 H new ATOM 1447 N THR A 89 98.612 -11.037 7.070 1.00 0.00 N ATOM 1448 CA THR A 89 98.027 -12.300 7.600 1.00 0.00 C ATOM 1449 C THR A 89 99.152 -13.254 8.006 1.00 0.00 C ATOM 1450 O THR A 89 98.944 -14.439 8.174 1.00 0.00 O ATOM 1451 CB THR A 89 97.166 -12.955 6.517 1.00 0.00 C ATOM 1452 OG1 THR A 89 97.545 -12.451 5.244 1.00 0.00 O ATOM 1453 CG2 THR A 89 95.692 -12.640 6.775 1.00 0.00 C ATOM 0 H THR A 89 99.379 -11.158 6.408 1.00 0.00 H new ATOM 0 HA THR A 89 97.410 -12.078 8.471 1.00 0.00 H new ATOM 0 HB THR A 89 97.313 -14.035 6.539 1.00 0.00 H new ATOM 0 HG1 THR A 89 98.502 -12.609 5.101 1.00 0.00 H new ATOM 0 HG21 THR A 89 95.080 -13.107 6.003 1.00 0.00 H new ATOM 0 HG22 THR A 89 95.403 -13.028 7.752 1.00 0.00 H new ATOM 0 HG23 THR A 89 95.542 -11.561 6.754 1.00 0.00 H new ATOM 1461 N PHE A 90 100.344 -12.747 8.169 1.00 0.00 N ATOM 1462 CA PHE A 90 101.482 -13.625 8.567 1.00 0.00 C ATOM 1463 C PHE A 90 102.396 -12.867 9.534 1.00 0.00 C ATOM 1464 O PHE A 90 102.856 -13.407 10.520 1.00 0.00 O ATOM 1465 CB PHE A 90 102.286 -14.053 7.330 1.00 0.00 C ATOM 1466 CG PHE A 90 101.958 -13.160 6.153 1.00 0.00 C ATOM 1467 CD1 PHE A 90 100.828 -13.420 5.368 1.00 0.00 C ATOM 1468 CD2 PHE A 90 102.783 -12.071 5.850 1.00 0.00 C ATOM 1469 CE1 PHE A 90 100.523 -12.591 4.282 1.00 0.00 C ATOM 1470 CE2 PHE A 90 102.477 -11.244 4.762 1.00 0.00 C ATOM 1471 CZ PHE A 90 101.350 -11.502 3.980 1.00 0.00 C ATOM 0 H PHE A 90 100.579 -11.762 8.044 1.00 0.00 H new ATOM 0 HA PHE A 90 101.087 -14.516 9.055 1.00 0.00 H new ATOM 0 HB2 PHE A 90 103.353 -14.003 7.547 1.00 0.00 H new ATOM 0 HB3 PHE A 90 102.060 -15.090 7.082 1.00 0.00 H new ATOM 0 HD1 PHE A 90 100.191 -14.261 5.601 1.00 0.00 H new ATOM 0 HD2 PHE A 90 103.655 -11.869 6.455 1.00 0.00 H new ATOM 0 HE1 PHE A 90 99.651 -12.791 3.678 1.00 0.00 H new ATOM 0 HE2 PHE A 90 103.115 -10.404 4.527 1.00 0.00 H new ATOM 0 HZ PHE A 90 101.116 -10.862 3.142 1.00 0.00 H new ATOM 1481 N SER A 91 102.660 -11.618 9.264 1.00 0.00 N ATOM 1482 CA SER A 91 103.541 -10.827 10.171 1.00 0.00 C ATOM 1483 C SER A 91 103.043 -9.382 10.233 1.00 0.00 C ATOM 1484 O SER A 91 101.973 -9.065 9.749 1.00 0.00 O ATOM 1485 CB SER A 91 104.974 -10.849 9.641 1.00 0.00 C ATOM 1486 OG SER A 91 105.297 -12.165 9.210 1.00 0.00 O ATOM 0 H SER A 91 102.304 -11.110 8.454 1.00 0.00 H new ATOM 0 HA SER A 91 103.517 -11.264 11.169 1.00 0.00 H new ATOM 0 HB2 SER A 91 105.078 -10.147 8.813 1.00 0.00 H new ATOM 0 HB3 SER A 91 105.667 -10.529 10.419 1.00 0.00 H new ATOM 0 HG SER A 91 106.215 -12.181 8.868 1.00 0.00 H new ATOM 1492 N PHE A 92 103.803 -8.501 10.824 1.00 0.00 N ATOM 1493 CA PHE A 92 103.358 -7.081 10.910 1.00 0.00 C ATOM 1494 C PHE A 92 103.595 -6.390 9.569 1.00 0.00 C ATOM 1495 O PHE A 92 104.402 -6.823 8.772 1.00 0.00 O ATOM 1496 CB PHE A 92 104.130 -6.356 12.022 1.00 0.00 C ATOM 1497 CG PHE A 92 105.556 -6.063 11.595 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.818 -5.120 10.594 1.00 0.00 C ATOM 1499 CD2 PHE A 92 106.621 -6.719 12.223 1.00 0.00 C ATOM 1500 CE1 PHE A 92 107.138 -4.839 10.226 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.933 -6.435 11.854 1.00 0.00 C ATOM 1502 CZ PHE A 92 108.195 -5.493 10.856 1.00 0.00 C ATOM 0 H PHE A 92 104.708 -8.701 11.249 1.00 0.00 H new ATOM 0 HA PHE A 92 102.294 -7.050 11.145 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.623 -5.424 12.273 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.136 -6.968 12.924 1.00 0.00 H new ATOM 0 HD1 PHE A 92 105.001 -4.609 10.106 1.00 0.00 H new ATOM 0 HD2 PHE A 92 106.424 -7.447 12.996 1.00 0.00 H new ATOM 0 HE1 PHE A 92 107.338 -4.113 9.452 1.00 0.00 H new ATOM 0 HE2 PHE A 92 108.751 -6.945 12.341 1.00 0.00 H new ATOM 0 HZ PHE A 92 109.214 -5.272 10.574 1.00 0.00 H new ATOM 1512 N LEU A 93 102.897 -5.317 9.310 1.00 0.00 N ATOM 1513 CA LEU A 93 103.086 -4.606 8.016 1.00 0.00 C ATOM 1514 C LEU A 93 103.114 -3.092 8.249 1.00 0.00 C ATOM 1515 O LEU A 93 102.427 -2.568 9.104 1.00 0.00 O ATOM 1516 CB LEU A 93 101.934 -4.957 7.074 1.00 0.00 C ATOM 1517 CG LEU A 93 102.103 -4.206 5.753 1.00 0.00 C ATOM 1518 CD1 LEU A 93 102.005 -5.189 4.586 1.00 0.00 C ATOM 1519 CD2 LEU A 93 101.001 -3.153 5.622 1.00 0.00 C ATOM 0 H LEU A 93 102.207 -4.904 9.937 1.00 0.00 H new ATOM 0 HA LEU A 93 104.032 -4.914 7.571 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.914 -6.032 6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.982 -4.694 7.534 1.00 0.00 H new ATOM 0 HG LEU A 93 103.079 -3.720 5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 93 102.126 -4.651 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.789 -5.941 4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.030 -5.677 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 93 101.120 -2.617 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 93 100.027 -3.642 5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 93 101.070 -2.449 6.452 1.00 0.00 H new ATOM 1531 N ILE A 94 103.903 -2.389 7.484 1.00 0.00 N ATOM 1532 CA ILE A 94 103.989 -0.910 7.633 1.00 0.00 C ATOM 1533 C ILE A 94 103.973 -0.280 6.238 1.00 0.00 C ATOM 1534 O ILE A 94 104.924 0.344 5.810 1.00 0.00 O ATOM 1535 CB ILE A 94 105.287 -0.539 8.362 1.00 0.00 C ATOM 1536 CG1 ILE A 94 105.132 -0.850 9.854 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.581 0.955 8.186 1.00 0.00 C ATOM 1538 CD1 ILE A 94 106.229 -1.822 10.292 1.00 0.00 C ATOM 0 H ILE A 94 104.498 -2.781 6.754 1.00 0.00 H new ATOM 0 HA ILE A 94 103.145 -0.541 8.215 1.00 0.00 H new ATOM 0 HB ILE A 94 106.111 -1.117 7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 94 105.193 0.070 10.436 1.00 0.00 H new ATOM 0 HG13 ILE A 94 104.150 -1.283 10.045 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.504 1.208 8.707 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.689 1.182 7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.759 1.539 8.600 1.00 0.00 H new ATOM 0 HD11 ILE A 94 106.117 -2.042 11.354 1.00 0.00 H new ATOM 0 HD12 ILE A 94 106.147 -2.746 9.719 1.00 0.00 H new ATOM 0 HD13 ILE A 94 107.206 -1.372 10.116 1.00 0.00 H new ATOM 1550 N CYS A 95 102.899 -0.451 5.519 1.00 0.00 N ATOM 1551 CA CYS A 95 102.822 0.129 4.151 1.00 0.00 C ATOM 1552 C CYS A 95 102.477 1.619 4.252 1.00 0.00 C ATOM 1553 O CYS A 95 101.510 1.998 4.883 1.00 0.00 O ATOM 1554 CB CYS A 95 101.734 -0.594 3.352 1.00 0.00 C ATOM 1555 SG CYS A 95 101.410 0.302 1.811 1.00 0.00 S ATOM 0 H CYS A 95 102.072 -0.967 5.820 1.00 0.00 H new ATOM 0 HA CYS A 95 103.781 0.009 3.648 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.049 -1.614 3.131 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.821 -0.663 3.943 1.00 0.00 H new ATOM 0 HG CYS A 95 100.132 0.305 1.571 1.00 0.00 H new ATOM 1561 N LYS A 96 103.255 2.468 3.638 1.00 0.00 N ATOM 1562 CA LYS A 96 102.962 3.929 3.705 1.00 0.00 C ATOM 1563 C LYS A 96 103.561 4.628 2.481 1.00 0.00 C ATOM 1564 O LYS A 96 104.726 4.473 2.175 1.00 0.00 O ATOM 1565 CB LYS A 96 103.574 4.515 4.979 1.00 0.00 C ATOM 1566 CG LYS A 96 102.503 5.287 5.752 1.00 0.00 C ATOM 1567 CD LYS A 96 102.081 4.484 6.984 1.00 0.00 C ATOM 1568 CE LYS A 96 101.661 5.442 8.100 1.00 0.00 C ATOM 1569 NZ LYS A 96 100.178 5.588 8.100 1.00 0.00 N ATOM 0 H LYS A 96 104.080 2.214 3.094 1.00 0.00 H new ATOM 0 HA LYS A 96 101.883 4.082 3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 96 103.981 3.717 5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 96 104.403 5.176 4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 96 102.889 6.260 6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 96 101.640 5.471 5.112 1.00 0.00 H new ATOM 0 HD2 LYS A 96 101.255 3.819 6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 96 102.905 3.856 7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 96 102.000 5.064 9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 96 102.132 6.414 7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 99.893 6.239 8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 99.867 5.967 7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 99.738 4.659 8.258 1.00 0.00 H new ATOM 1583 N GLY A 97 102.771 5.393 1.779 1.00 0.00 N ATOM 1584 CA GLY A 97 103.291 6.099 0.572 1.00 0.00 C ATOM 1585 C GLY A 97 104.549 6.893 0.930 1.00 0.00 C ATOM 1586 O GLY A 97 104.841 7.125 2.086 1.00 0.00 O ATOM 0 H GLY A 97 101.787 5.560 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.518 5.377 -0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.528 6.770 0.176 1.00 0.00 H new ATOM 1590 N VAL A 98 105.294 7.313 -0.056 1.00 0.00 N ATOM 1591 CA VAL A 98 106.531 8.096 0.220 1.00 0.00 C ATOM 1592 C VAL A 98 106.543 9.346 -0.663 1.00 0.00 C ATOM 1593 O VAL A 98 105.883 9.401 -1.682 1.00 0.00 O ATOM 1594 CB VAL A 98 107.760 7.239 -0.089 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.021 8.100 0.003 1.00 0.00 C ATOM 1596 CG2 VAL A 98 107.849 6.095 0.923 1.00 0.00 C ATOM 0 H VAL A 98 105.098 7.147 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 98 106.552 8.389 1.270 1.00 0.00 H new ATOM 0 HB VAL A 98 107.674 6.830 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 98 109.896 7.488 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 98 108.958 8.916 -0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.109 8.510 1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.724 5.483 0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 98 107.935 6.505 1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 98 106.951 5.480 0.857 1.00 0.00 H new ATOM 1606 N ASN A 99 107.283 10.351 -0.282 1.00 0.00 N ATOM 1607 CA ASN A 99 107.327 11.594 -1.104 1.00 0.00 C ATOM 1608 C ASN A 99 108.603 11.610 -1.948 1.00 0.00 C ATOM 1609 O ASN A 99 108.569 11.873 -3.133 1.00 0.00 O ATOM 1610 CB ASN A 99 107.312 12.815 -0.182 1.00 0.00 C ATOM 1611 CG ASN A 99 105.878 13.327 -0.032 1.00 0.00 C ATOM 1612 OD1 ASN A 99 104.994 12.915 -0.758 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.608 14.214 0.885 1.00 0.00 N ATOM 0 H ASN A 99 107.858 10.366 0.561 1.00 0.00 H new ATOM 0 HA ASN A 99 106.459 11.622 -1.762 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.719 12.551 0.794 1.00 0.00 H new ATOM 0 HB3 ASN A 99 107.948 13.600 -0.591 1.00 0.00 H new ATOM 0 HD21 ASN A 99 104.655 14.562 0.993 1.00 0.00 H new ATOM 0 HD22 ASN A 99 106.349 14.560 1.494 1.00 0.00 H new ATOM 1620 N LYS A 100 109.729 11.336 -1.347 1.00 0.00 N ATOM 1621 CA LYS A 100 111.003 11.343 -2.119 1.00 0.00 C ATOM 1622 C LYS A 100 111.570 9.924 -2.193 1.00 0.00 C ATOM 1623 O LYS A 100 112.327 9.503 -1.340 1.00 0.00 O ATOM 1624 CB LYS A 100 112.014 12.260 -1.427 1.00 0.00 C ATOM 1625 CG LYS A 100 112.414 13.388 -2.379 1.00 0.00 C ATOM 1626 CD LYS A 100 112.957 14.569 -1.572 1.00 0.00 C ATOM 1627 CE LYS A 100 114.070 15.259 -2.362 1.00 0.00 C ATOM 1628 NZ LYS A 100 113.988 16.732 -2.151 1.00 0.00 N ATOM 0 H LYS A 100 109.821 11.108 -0.357 1.00 0.00 H new ATOM 0 HA LYS A 100 110.810 11.707 -3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.581 12.674 -0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.895 11.690 -1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 100 113.170 13.035 -3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 100 111.553 13.702 -2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 100 112.156 15.276 -1.359 1.00 0.00 H new ATOM 0 HD3 LYS A 100 113.339 14.222 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 100 115.043 14.888 -2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 100 113.976 15.027 -3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 114.744 17.202 -2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 113.064 17.079 -2.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 114.098 16.944 -1.139 1.00 0.00 H new ATOM 1642 N GLU A 101 111.217 9.185 -3.208 1.00 0.00 N ATOM 1643 CA GLU A 101 111.744 7.798 -3.339 1.00 0.00 C ATOM 1644 C GLU A 101 113.263 7.851 -3.494 1.00 0.00 C ATOM 1645 O GLU A 101 113.998 7.329 -2.681 1.00 0.00 O ATOM 1646 CB GLU A 101 111.132 7.134 -4.574 1.00 0.00 C ATOM 1647 CG GLU A 101 110.562 5.767 -4.193 1.00 0.00 C ATOM 1648 CD GLU A 101 111.559 4.672 -4.571 1.00 0.00 C ATOM 1649 OE1 GLU A 101 112.742 4.966 -4.616 1.00 0.00 O ATOM 1650 OE2 GLU A 101 111.123 3.558 -4.810 1.00 0.00 O ATOM 0 H GLU A 101 110.586 9.482 -3.953 1.00 0.00 H new ATOM 0 HA GLU A 101 111.484 7.222 -2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 101 110.345 7.765 -4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 101 111.888 7.020 -5.350 1.00 0.00 H new ATOM 0 HG2 GLU A 101 110.357 5.733 -3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 101 109.614 5.602 -4.705 1.00 0.00 H new ATOM 1657 N TYR A 102 113.731 8.481 -4.539 1.00 0.00 N ATOM 1658 CA TYR A 102 115.204 8.587 -4.774 1.00 0.00 C ATOM 1659 C TYR A 102 115.942 8.757 -3.444 1.00 0.00 C ATOM 1660 O TYR A 102 116.740 7.929 -3.055 1.00 0.00 O ATOM 1661 CB TYR A 102 115.480 9.806 -5.658 1.00 0.00 C ATOM 1662 CG TYR A 102 116.963 9.920 -5.931 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.848 10.254 -4.895 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.452 9.692 -7.221 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.220 10.359 -5.156 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.823 9.798 -7.480 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.707 10.131 -6.448 1.00 0.00 C ATOM 1668 OH TYR A 102 121.059 10.235 -6.703 1.00 0.00 O ATOM 0 H TYR A 102 113.151 8.931 -5.247 1.00 0.00 H new ATOM 0 HA TYR A 102 115.555 7.678 -5.262 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.935 9.716 -6.597 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.121 10.711 -5.167 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.472 10.430 -3.898 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.771 9.434 -8.018 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.903 10.616 -4.360 1.00 0.00 H new ATOM 0 HE2 TYR A 102 119.199 9.623 -8.477 1.00 0.00 H new ATOM 0 HH TYR A 102 121.229 10.045 -7.649 1.00 0.00 H new ATOM 1678 N LEU A 103 115.688 9.833 -2.752 1.00 0.00 N ATOM 1679 CA LEU A 103 116.382 10.072 -1.455 1.00 0.00 C ATOM 1680 C LEU A 103 116.245 8.848 -0.546 1.00 0.00 C ATOM 1681 O LEU A 103 117.193 8.424 0.082 1.00 0.00 O ATOM 1682 CB LEU A 103 115.755 11.285 -0.761 1.00 0.00 C ATOM 1683 CG LEU A 103 116.748 12.448 -0.759 1.00 0.00 C ATOM 1684 CD1 LEU A 103 116.217 13.568 0.137 1.00 0.00 C ATOM 1685 CD2 LEU A 103 118.099 11.967 -0.223 1.00 0.00 C ATOM 0 H LEU A 103 115.028 10.559 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 103 117.439 10.256 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.839 11.577 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 103 115.479 11.028 0.262 1.00 0.00 H new ATOM 0 HG LEU A 103 116.872 12.820 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 103 116.924 14.398 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 103 115.255 13.912 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 103 116.094 13.193 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 103 118.806 12.796 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.975 11.594 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 103 118.479 11.167 -0.859 1.00 0.00 H new ATOM 1697 N MET A 104 115.072 8.285 -0.456 1.00 0.00 N ATOM 1698 CA MET A 104 114.882 7.099 0.428 1.00 0.00 C ATOM 1699 C MET A 104 115.747 5.935 -0.063 1.00 0.00 C ATOM 1700 O MET A 104 116.736 5.586 0.552 1.00 0.00 O ATOM 1701 CB MET A 104 113.411 6.682 0.409 1.00 0.00 C ATOM 1702 CG MET A 104 113.231 5.406 1.233 1.00 0.00 C ATOM 1703 SD MET A 104 111.549 5.351 1.900 1.00 0.00 S ATOM 1704 CE MET A 104 111.902 4.280 3.315 1.00 0.00 C ATOM 0 H MET A 104 114.238 8.594 -0.955 1.00 0.00 H new ATOM 0 HA MET A 104 115.178 7.360 1.444 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.790 7.481 0.816 1.00 0.00 H new ATOM 0 HB3 MET A 104 113.083 6.514 -0.617 1.00 0.00 H new ATOM 0 HG2 MET A 104 113.416 4.530 0.612 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.957 5.380 2.046 1.00 0.00 H new ATOM 0 HE1 MET A 104 111.035 3.652 3.521 1.00 0.00 H new ATOM 0 HE2 MET A 104 112.762 3.649 3.088 1.00 0.00 H new ATOM 0 HE3 MET A 104 112.122 4.893 4.189 1.00 0.00 H new ATOM 1714 N TYR A 105 115.376 5.329 -1.159 1.00 0.00 N ATOM 1715 CA TYR A 105 116.166 4.181 -1.692 1.00 0.00 C ATOM 1716 C TYR A 105 117.661 4.469 -1.542 1.00 0.00 C ATOM 1717 O TYR A 105 118.460 3.570 -1.364 1.00 0.00 O ATOM 1718 CB TYR A 105 115.826 3.979 -3.170 1.00 0.00 C ATOM 1719 CG TYR A 105 116.803 3.007 -3.787 1.00 0.00 C ATOM 1720 CD1 TYR A 105 116.561 1.630 -3.713 1.00 0.00 C ATOM 1721 CD2 TYR A 105 117.950 3.481 -4.436 1.00 0.00 C ATOM 1722 CE1 TYR A 105 117.463 0.730 -4.286 1.00 0.00 C ATOM 1723 CE2 TYR A 105 118.852 2.580 -5.009 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.609 1.203 -4.934 1.00 0.00 C ATOM 1725 OH TYR A 105 119.499 0.313 -5.502 1.00 0.00 O ATOM 0 H TYR A 105 114.556 5.581 -1.711 1.00 0.00 H new ATOM 0 HA TYR A 105 115.919 3.278 -1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.809 3.601 -3.271 1.00 0.00 H new ATOM 0 HB3 TYR A 105 115.865 4.933 -3.696 1.00 0.00 H new ATOM 0 HD1 TYR A 105 115.677 1.263 -3.213 1.00 0.00 H new ATOM 0 HD2 TYR A 105 118.138 4.543 -4.494 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.275 -0.332 -4.229 1.00 0.00 H new ATOM 0 HE2 TYR A 105 119.736 2.946 -5.510 1.00 0.00 H new ATOM 0 HH TYR A 105 119.172 -0.602 -5.376 1.00 0.00 H new ATOM 1735 N SER A 106 118.047 5.713 -1.604 1.00 0.00 N ATOM 1736 CA SER A 106 119.489 6.050 -1.452 1.00 0.00 C ATOM 1737 C SER A 106 119.913 5.770 -0.010 1.00 0.00 C ATOM 1738 O SER A 106 120.877 5.073 0.243 1.00 0.00 O ATOM 1739 CB SER A 106 119.708 7.529 -1.774 1.00 0.00 C ATOM 1740 OG SER A 106 121.067 7.737 -2.135 1.00 0.00 O ATOM 0 H SER A 106 117.427 6.509 -1.753 1.00 0.00 H new ATOM 0 HA SER A 106 120.084 5.445 -2.136 1.00 0.00 H new ATOM 0 HB2 SER A 106 119.053 7.836 -2.589 1.00 0.00 H new ATOM 0 HB3 SER A 106 119.452 8.143 -0.910 1.00 0.00 H new ATOM 0 HG SER A 106 121.209 8.684 -2.343 1.00 0.00 H new ATOM 1746 N ALA A 107 119.190 6.300 0.938 1.00 0.00 N ATOM 1747 CA ALA A 107 119.537 6.058 2.364 1.00 0.00 C ATOM 1748 C ALA A 107 119.378 4.567 2.668 1.00 0.00 C ATOM 1749 O ALA A 107 119.819 4.080 3.689 1.00 0.00 O ATOM 1750 CB ALA A 107 118.596 6.867 3.262 1.00 0.00 C ATOM 0 H ALA A 107 118.373 6.891 0.785 1.00 0.00 H new ATOM 0 HA ALA A 107 120.566 6.365 2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.849 6.690 4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.702 7.928 3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.566 6.559 3.081 1.00 0.00 H new ATOM 1756 N LEU A 108 118.745 3.840 1.787 1.00 0.00 N ATOM 1757 CA LEU A 108 118.548 2.380 2.019 1.00 0.00 C ATOM 1758 C LEU A 108 119.724 1.598 1.428 1.00 0.00 C ATOM 1759 O LEU A 108 120.106 0.561 1.934 1.00 0.00 O ATOM 1760 CB LEU A 108 117.253 1.927 1.339 1.00 0.00 C ATOM 1761 CG LEU A 108 116.067 2.164 2.276 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.800 1.580 1.651 1.00 0.00 C ATOM 1763 CD2 LEU A 108 116.334 1.479 3.619 1.00 0.00 C ATOM 0 H LEU A 108 118.355 4.195 0.914 1.00 0.00 H new ATOM 0 HA LEU A 108 118.489 2.193 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 108 117.109 2.476 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.318 0.870 1.079 1.00 0.00 H new ATOM 0 HG LEU A 108 115.936 3.235 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.954 1.748 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.609 2.065 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.931 0.509 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 108 115.490 1.647 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 108 116.465 0.408 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 108 117.238 1.893 4.065 1.00 0.00 H new ATOM 1775 N THR A 109 120.300 2.081 0.361 1.00 0.00 N ATOM 1776 CA THR A 109 121.446 1.355 -0.256 1.00 0.00 C ATOM 1777 C THR A 109 122.724 1.652 0.530 1.00 0.00 C ATOM 1778 O THR A 109 123.688 0.917 0.465 1.00 0.00 O ATOM 1779 CB THR A 109 121.624 1.817 -1.705 1.00 0.00 C ATOM 1780 OG1 THR A 109 121.914 3.207 -1.722 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.339 1.551 -2.490 1.00 0.00 C ATOM 0 H THR A 109 120.028 2.944 -0.109 1.00 0.00 H new ATOM 0 HA THR A 109 121.247 0.284 -0.236 1.00 0.00 H new ATOM 0 HB THR A 109 122.446 1.268 -2.165 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.597 3.617 -0.890 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.468 1.881 -3.521 1.00 0.00 H new ATOM 0 HG22 THR A 109 120.118 0.484 -2.475 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.514 2.099 -2.034 1.00 0.00 H new ATOM 1789 N ARG A 110 122.740 2.725 1.272 1.00 0.00 N ATOM 1790 CA ARG A 110 123.958 3.063 2.059 1.00 0.00 C ATOM 1791 C ARG A 110 123.880 2.395 3.432 1.00 0.00 C ATOM 1792 O ARG A 110 122.870 2.458 4.107 1.00 0.00 O ATOM 1793 CB ARG A 110 124.050 4.580 2.235 1.00 0.00 C ATOM 1794 CG ARG A 110 125.515 4.983 2.415 1.00 0.00 C ATOM 1795 CD ARG A 110 125.635 6.507 2.398 1.00 0.00 C ATOM 1796 NE ARG A 110 126.523 6.948 3.511 1.00 0.00 N ATOM 1797 CZ ARG A 110 126.322 8.099 4.090 1.00 0.00 C ATOM 1798 NH1 ARG A 110 125.392 8.221 4.997 1.00 0.00 N ATOM 1799 NH2 ARG A 110 127.052 9.131 3.762 1.00 0.00 N ATOM 0 H ARG A 110 121.964 3.380 1.367 1.00 0.00 H new ATOM 0 HA ARG A 110 124.841 2.705 1.530 1.00 0.00 H new ATOM 0 HB2 ARG A 110 123.627 5.084 1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 110 123.466 4.893 3.101 1.00 0.00 H new ATOM 0 HG2 ARG A 110 125.898 4.589 3.356 1.00 0.00 H new ATOM 0 HG3 ARG A 110 126.122 4.552 1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 110 126.039 6.840 1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 110 124.650 6.961 2.503 1.00 0.00 H new ATOM 0 HE ARG A 110 127.289 6.349 3.820 1.00 0.00 H new ATOM 0 HH11 ARG A 110 124.821 7.416 5.254 1.00 0.00 H new ATOM 0 HH12 ARG A 110 125.236 9.122 5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 110 127.779 9.037 3.053 1.00 0.00 H new ATOM 0 HH22 ARG A 110 126.895 10.031 4.215 1.00 0.00 H new ATOM 1813 N ASP A 111 124.935 1.754 3.852 1.00 0.00 N ATOM 1814 CA ASP A 111 124.917 1.084 5.183 1.00 0.00 C ATOM 1815 C ASP A 111 124.310 2.031 6.220 1.00 0.00 C ATOM 1816 O ASP A 111 124.266 3.228 6.015 1.00 0.00 O ATOM 1817 CB ASP A 111 126.346 0.724 5.594 1.00 0.00 C ATOM 1818 CG ASP A 111 126.646 -0.720 5.190 1.00 0.00 C ATOM 1819 OD1 ASP A 111 126.217 -1.614 5.901 1.00 0.00 O ATOM 1820 OD2 ASP A 111 127.297 -0.908 4.175 1.00 0.00 O ATOM 0 H ASP A 111 125.808 1.665 3.332 1.00 0.00 H new ATOM 0 HA ASP A 111 124.318 0.175 5.125 1.00 0.00 H new ATOM 0 HB2 ASP A 111 127.054 1.401 5.116 1.00 0.00 H new ATOM 0 HB3 ASP A 111 126.467 0.844 6.671 1.00 0.00 H new ATOM 1825 N PRO A 112 123.859 1.462 7.309 1.00 0.00 N ATOM 1826 CA PRO A 112 123.919 0.007 7.547 1.00 0.00 C ATOM 1827 C PRO A 112 122.789 -0.715 6.802 1.00 0.00 C ATOM 1828 O PRO A 112 122.506 -1.868 7.060 1.00 0.00 O ATOM 1829 CB PRO A 112 123.732 -0.112 9.062 1.00 0.00 C ATOM 1830 CG PRO A 112 123.019 1.183 9.519 1.00 0.00 C ATOM 1831 CD PRO A 112 123.250 2.230 8.412 1.00 0.00 C ATOM 0 HA PRO A 112 124.846 -0.444 7.194 1.00 0.00 H new ATOM 0 HB2 PRO A 112 123.138 -0.991 9.312 1.00 0.00 H new ATOM 0 HB3 PRO A 112 124.693 -0.224 9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 112 121.954 1.006 9.668 1.00 0.00 H new ATOM 0 HG3 PRO A 112 123.421 1.531 10.471 1.00 0.00 H new ATOM 0 HD2 PRO A 112 122.314 2.696 8.103 1.00 0.00 H new ATOM 0 HD3 PRO A 112 123.908 3.030 8.751 1.00 0.00 H new ATOM 1839 N PHE A 113 122.138 -0.052 5.885 1.00 0.00 N ATOM 1840 CA PHE A 113 121.031 -0.711 5.137 1.00 0.00 C ATOM 1841 C PHE A 113 121.612 -1.587 4.026 1.00 0.00 C ATOM 1842 O PHE A 113 122.260 -1.106 3.118 1.00 0.00 O ATOM 1843 CB PHE A 113 120.122 0.357 4.527 1.00 0.00 C ATOM 1844 CG PHE A 113 119.351 1.042 5.629 1.00 0.00 C ATOM 1845 CD1 PHE A 113 118.394 0.330 6.360 1.00 0.00 C ATOM 1846 CD2 PHE A 113 119.598 2.387 5.926 1.00 0.00 C ATOM 1847 CE1 PHE A 113 117.684 0.960 7.385 1.00 0.00 C ATOM 1848 CE2 PHE A 113 118.887 3.019 6.951 1.00 0.00 C ATOM 1849 CZ PHE A 113 117.929 2.306 7.682 1.00 0.00 C ATOM 0 H PHE A 113 122.325 0.916 5.622 1.00 0.00 H new ATOM 0 HA PHE A 113 120.452 -1.333 5.820 1.00 0.00 H new ATOM 0 HB2 PHE A 113 120.716 1.086 3.976 1.00 0.00 H new ATOM 0 HB3 PHE A 113 119.434 -0.098 3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 113 118.204 -0.708 6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 113 120.338 2.937 5.363 1.00 0.00 H new ATOM 0 HE1 PHE A 113 116.946 0.409 7.948 1.00 0.00 H new ATOM 0 HE2 PHE A 113 119.077 4.057 7.179 1.00 0.00 H new ATOM 0 HZ PHE A 113 117.380 2.794 8.474 1.00 0.00 H new ATOM 1859 N SER A 114 121.383 -2.870 4.091 1.00 0.00 N ATOM 1860 CA SER A 114 121.920 -3.778 3.038 1.00 0.00 C ATOM 1861 C SER A 114 120.908 -3.883 1.896 1.00 0.00 C ATOM 1862 O SER A 114 119.800 -3.391 1.989 1.00 0.00 O ATOM 1863 CB SER A 114 122.164 -5.164 3.635 1.00 0.00 C ATOM 1864 OG SER A 114 123.422 -5.176 4.296 1.00 0.00 O ATOM 0 H SER A 114 120.847 -3.329 4.828 1.00 0.00 H new ATOM 0 HA SER A 114 122.860 -3.379 2.656 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.369 -5.415 4.337 1.00 0.00 H new ATOM 0 HB3 SER A 114 122.146 -5.919 2.849 1.00 0.00 H new ATOM 0 HG SER A 114 123.581 -6.063 4.681 1.00 0.00 H new ATOM 1870 N VAL A 115 121.277 -4.521 0.819 1.00 0.00 N ATOM 1871 CA VAL A 115 120.335 -4.655 -0.326 1.00 0.00 C ATOM 1872 C VAL A 115 120.147 -6.137 -0.660 1.00 0.00 C ATOM 1873 O VAL A 115 121.097 -6.853 -0.906 1.00 0.00 O ATOM 1874 CB VAL A 115 120.907 -3.928 -1.545 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.883 -3.945 -2.680 1.00 0.00 C ATOM 1876 CG2 VAL A 115 121.226 -2.479 -1.168 1.00 0.00 C ATOM 0 H VAL A 115 122.190 -4.955 0.683 1.00 0.00 H new ATOM 0 HA VAL A 115 119.374 -4.217 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 115 121.818 -4.430 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.292 -3.427 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.654 -4.976 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.971 -3.444 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.634 -1.959 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.314 -1.979 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.957 -2.466 -0.360 1.00 0.00 H new ATOM 1886 N ILE A 116 118.927 -6.605 -0.670 1.00 0.00 N ATOM 1887 CA ILE A 116 118.687 -8.041 -0.988 1.00 0.00 C ATOM 1888 C ILE A 116 118.452 -8.203 -2.491 1.00 0.00 C ATOM 1889 O ILE A 116 119.253 -8.789 -3.191 1.00 0.00 O ATOM 1890 CB ILE A 116 117.457 -8.540 -0.226 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.429 -7.908 1.168 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.525 -10.062 -0.092 1.00 0.00 C ATOM 1893 CD1 ILE A 116 116.159 -8.346 1.899 1.00 0.00 C ATOM 0 H ILE A 116 118.090 -6.057 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 116 119.559 -8.623 -0.691 1.00 0.00 H new ATOM 0 HB ILE A 116 116.555 -8.261 -0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.310 -8.210 1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.459 -6.821 1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.650 -10.419 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.547 -10.514 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.427 -10.339 0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 116 116.137 -7.897 2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.284 -8.022 1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 116 116.149 -9.432 1.992 1.00 0.00 H new ATOM 1905 N GLU A 117 117.359 -7.694 -2.994 1.00 0.00 N ATOM 1906 CA GLU A 117 117.083 -7.833 -4.454 1.00 0.00 C ATOM 1907 C GLU A 117 116.315 -6.610 -4.963 1.00 0.00 C ATOM 1908 O GLU A 117 115.937 -5.738 -4.207 1.00 0.00 O ATOM 1909 CB GLU A 117 116.246 -9.090 -4.695 1.00 0.00 C ATOM 1910 CG GLU A 117 116.698 -10.197 -3.742 1.00 0.00 C ATOM 1911 CD GLU A 117 116.217 -11.552 -4.266 1.00 0.00 C ATOM 1912 OE1 GLU A 117 116.170 -11.714 -5.473 1.00 0.00 O ATOM 1913 OE2 GLU A 117 115.904 -12.402 -3.449 1.00 0.00 O ATOM 0 H GLU A 117 116.649 -7.191 -2.461 1.00 0.00 H new ATOM 0 HA GLU A 117 118.030 -7.910 -4.989 1.00 0.00 H new ATOM 0 HB2 GLU A 117 115.190 -8.871 -4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 117 116.355 -9.419 -5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 117 117.784 -10.194 -3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 117 116.297 -10.018 -2.744 1.00 0.00 H new ATOM 1920 N GLU A 118 116.083 -6.547 -6.247 1.00 0.00 N ATOM 1921 CA GLU A 118 115.340 -5.387 -6.825 1.00 0.00 C ATOM 1922 C GLU A 118 114.970 -5.709 -8.275 1.00 0.00 C ATOM 1923 O GLU A 118 115.465 -6.655 -8.855 1.00 0.00 O ATOM 1924 CB GLU A 118 116.209 -4.119 -6.795 1.00 0.00 C ATOM 1925 CG GLU A 118 117.590 -4.427 -6.204 1.00 0.00 C ATOM 1926 CD GLU A 118 118.524 -3.239 -6.444 1.00 0.00 C ATOM 1927 OE1 GLU A 118 118.469 -2.677 -7.525 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.277 -2.912 -5.542 1.00 0.00 O ATOM 0 H GLU A 118 116.377 -7.251 -6.924 1.00 0.00 H new ATOM 0 HA GLU A 118 114.442 -5.210 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.319 -3.723 -7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 118 115.717 -3.348 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 118 117.504 -4.626 -5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.002 -5.326 -6.663 1.00 0.00 H new ATOM 1935 N SER A 119 114.106 -4.931 -8.867 1.00 0.00 N ATOM 1936 CA SER A 119 113.711 -5.198 -10.279 1.00 0.00 C ATOM 1937 C SER A 119 114.526 -4.302 -11.215 1.00 0.00 C ATOM 1938 O SER A 119 114.652 -4.571 -12.393 1.00 0.00 O ATOM 1939 CB SER A 119 112.223 -4.900 -10.460 1.00 0.00 C ATOM 1940 OG SER A 119 111.543 -6.101 -10.805 1.00 0.00 O ATOM 0 H SER A 119 113.657 -4.123 -8.435 1.00 0.00 H new ATOM 0 HA SER A 119 113.903 -6.244 -10.516 1.00 0.00 H new ATOM 0 HB2 SER A 119 111.809 -4.485 -9.541 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.082 -4.152 -11.240 1.00 0.00 H new ATOM 0 HG SER A 119 110.588 -5.915 -10.920 1.00 0.00 H new ATOM 1946 N LEU A 120 115.079 -3.239 -10.699 1.00 0.00 N ATOM 1947 CA LEU A 120 115.886 -2.325 -11.558 1.00 0.00 C ATOM 1948 C LEU A 120 117.321 -2.851 -11.658 1.00 0.00 C ATOM 1949 O LEU A 120 117.794 -3.524 -10.765 1.00 0.00 O ATOM 1950 CB LEU A 120 115.905 -0.925 -10.936 1.00 0.00 C ATOM 1951 CG LEU A 120 114.612 -0.183 -11.284 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.722 1.269 -10.818 1.00 0.00 C ATOM 1953 CD2 LEU A 120 114.395 -0.215 -12.798 1.00 0.00 C ATOM 0 H LEU A 120 115.007 -2.963 -9.720 1.00 0.00 H new ATOM 0 HA LEU A 120 115.443 -2.279 -12.553 1.00 0.00 H new ATOM 0 HB2 LEU A 120 116.012 -1.000 -9.854 1.00 0.00 H new ATOM 0 HB3 LEU A 120 116.766 -0.366 -11.303 1.00 0.00 H new ATOM 0 HG LEU A 120 113.770 -0.665 -10.787 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.803 1.801 -11.064 1.00 0.00 H new ATOM 0 HD12 LEU A 120 114.878 1.294 -9.740 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.564 1.749 -11.318 1.00 0.00 H new ATOM 0 HD21 LEU A 120 113.474 0.313 -13.045 1.00 0.00 H new ATOM 0 HD22 LEU A 120 115.235 0.268 -13.296 1.00 0.00 H new ATOM 0 HD23 LEU A 120 114.321 -1.250 -13.133 1.00 0.00 H new ATOM 1965 N PRO A 121 117.972 -2.518 -12.745 1.00 0.00 N ATOM 1966 CA PRO A 121 119.363 -2.931 -12.999 1.00 0.00 C ATOM 1967 C PRO A 121 120.329 -2.021 -12.233 1.00 0.00 C ATOM 1968 O PRO A 121 121.092 -1.277 -12.816 1.00 0.00 O ATOM 1969 CB PRO A 121 119.524 -2.737 -14.510 1.00 0.00 C ATOM 1970 CG PRO A 121 118.448 -1.709 -14.934 1.00 0.00 C ATOM 1971 CD PRO A 121 117.377 -1.705 -13.825 1.00 0.00 C ATOM 0 HA PRO A 121 119.576 -3.951 -12.679 1.00 0.00 H new ATOM 0 HB2 PRO A 121 120.524 -2.375 -14.751 1.00 0.00 H new ATOM 0 HB3 PRO A 121 119.390 -3.680 -15.039 1.00 0.00 H new ATOM 0 HG2 PRO A 121 118.885 -0.718 -15.053 1.00 0.00 H new ATOM 0 HG3 PRO A 121 118.010 -1.981 -15.894 1.00 0.00 H new ATOM 0 HD2 PRO A 121 117.158 -0.692 -13.487 1.00 0.00 H new ATOM 0 HD3 PRO A 121 116.439 -2.134 -14.176 1.00 0.00 H new ATOM 1979 N GLY A 122 120.296 -2.068 -10.929 1.00 0.00 N ATOM 1980 CA GLY A 122 121.204 -1.201 -10.127 1.00 0.00 C ATOM 1981 C GLY A 122 120.368 -0.258 -9.257 1.00 0.00 C ATOM 1982 O GLY A 122 120.894 0.521 -8.488 1.00 0.00 O ATOM 0 H GLY A 122 119.679 -2.670 -10.384 1.00 0.00 H new ATOM 0 HA2 GLY A 122 121.851 -1.815 -9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 122 121.853 -0.625 -10.787 1.00 0.00 H new ATOM 1986 N GLY A 123 119.068 -0.323 -9.373 1.00 0.00 N ATOM 1987 CA GLY A 123 118.198 0.569 -8.555 1.00 0.00 C ATOM 1988 C GLY A 123 117.646 1.692 -9.434 1.00 0.00 C ATOM 1989 O GLY A 123 117.806 1.687 -10.638 1.00 0.00 O ATOM 0 H GLY A 123 118.571 -0.956 -10.000 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.378 -0.004 -8.121 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.767 0.989 -7.726 1.00 0.00 H new ATOM 1993 N LEU A 124 116.993 2.654 -8.840 1.00 0.00 N ATOM 1994 CA LEU A 124 116.426 3.778 -9.639 1.00 0.00 C ATOM 1995 C LEU A 124 117.537 4.759 -10.011 1.00 0.00 C ATOM 1996 O LEU A 124 118.684 4.575 -9.658 1.00 0.00 O ATOM 1997 CB LEU A 124 115.368 4.506 -8.809 1.00 0.00 C ATOM 1998 CG LEU A 124 114.465 3.481 -8.123 1.00 0.00 C ATOM 1999 CD1 LEU A 124 114.473 3.723 -6.613 1.00 0.00 C ATOM 2000 CD2 LEU A 124 113.037 3.627 -8.654 1.00 0.00 C ATOM 0 H LEU A 124 116.828 2.710 -7.835 1.00 0.00 H new ATOM 0 HA LEU A 124 115.974 3.382 -10.548 1.00 0.00 H new ATOM 0 HB2 LEU A 124 115.848 5.140 -8.064 1.00 0.00 H new ATOM 0 HB3 LEU A 124 114.774 5.159 -9.449 1.00 0.00 H new ATOM 0 HG LEU A 124 114.832 2.476 -8.331 1.00 0.00 H new ATOM 0 HD11 LEU A 124 113.829 2.992 -6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 124 115.490 3.622 -6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 124 114.106 4.728 -6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 124 112.391 2.897 -8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 124 112.672 4.632 -8.444 1.00 0.00 H new ATOM 0 HD23 LEU A 124 113.030 3.456 -9.730 1.00 0.00 H new