USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 606 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 72 SER OG : rot -64:sc= 1.05 USER MOD Set 1.2: A 97 THR OG1 : rot 168:sc= 1.36 USER MOD Set 2.1: A 43 TYR OH : rot 161:sc= 0.0129 USER MOD Set 2.2: A 53 GLN : amide:sc= -0.671 X(o=-0.66,f=-0.88) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -170:sc= -0.0628 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -14:sc= 0.723 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -35:sc= 0.289 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 1.97 K(o=2,f=-5.6!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.433 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -13.1! C(o=-13!,f=-18!) USER MOD Single : A 60 THR OG1 : rot 115:sc= 0.127 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00501 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.852 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.15 K(o=-1.2,f=-12!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 119:sc= 0.193 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 16.271 -15.122 1.970 1.00 0.00 N ATOM 60 CA GLY A 7 16.333 -13.915 1.166 1.00 0.00 C ATOM 61 C GLY A 7 16.576 -12.674 2.002 1.00 0.00 C ATOM 62 O GLY A 7 17.093 -12.742 3.117 1.00 0.00 O ATOM 0 HA2 GLY A 7 17.129 -14.014 0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.400 -13.801 0.615 1.00 0.00 H new ATOM 66 N PRO A 8 16.200 -11.507 1.458 1.00 0.00 N ATOM 67 CA PRO A 8 16.371 -10.223 2.144 1.00 0.00 C ATOM 68 C PRO A 8 15.440 -10.077 3.343 1.00 0.00 C ATOM 69 O PRO A 8 14.595 -10.937 3.594 1.00 0.00 O ATOM 70 CB PRO A 8 16.019 -9.195 1.065 1.00 0.00 C ATOM 71 CG PRO A 8 15.114 -9.921 0.132 1.00 0.00 C ATOM 72 CD PRO A 8 15.578 -11.351 0.133 1.00 0.00 C ATOM 0 HA PRO A 8 17.376 -10.109 2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.527 -8.322 1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.912 -8.837 0.552 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.077 -9.847 0.458 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.164 -9.495 -0.870 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.747 -12.043 -0.005 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.290 -11.543 -0.670 1.00 0.00 H new ATOM 80 N LYS A 9 15.599 -8.983 4.080 1.00 0.00 N ATOM 81 CA LYS A 9 14.772 -8.723 5.252 1.00 0.00 C ATOM 82 C LYS A 9 13.661 -7.730 4.924 1.00 0.00 C ATOM 83 O LYS A 9 13.758 -6.941 3.984 1.00 0.00 O ATOM 84 CB LYS A 9 15.630 -8.184 6.399 1.00 0.00 C ATOM 85 CG LYS A 9 16.361 -9.268 7.172 1.00 0.00 C ATOM 86 CD LYS A 9 16.984 -8.720 8.445 1.00 0.00 C ATOM 87 CE LYS A 9 18.192 -7.846 8.144 1.00 0.00 C ATOM 88 NZ LYS A 9 18.811 -7.307 9.386 1.00 0.00 N ATOM 0 H LYS A 9 16.294 -8.262 3.886 1.00 0.00 H new ATOM 0 HA LYS A 9 14.316 -9.664 5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.360 -7.481 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 9 14.994 -7.625 7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.666 -10.070 7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.138 -9.704 6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.242 -8.140 8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.283 -9.546 9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.931 -8.426 7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.891 -7.019 7.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.631 -6.717 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.113 -6.732 9.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.122 -8.095 9.989 1.00 0.00 H new ATOM 102 N PRO A 10 12.581 -7.766 5.718 1.00 0.00 N ATOM 103 CA PRO A 10 11.432 -6.874 5.533 1.00 0.00 C ATOM 104 C PRO A 10 11.761 -5.426 5.881 1.00 0.00 C ATOM 105 O PRO A 10 12.579 -5.143 6.756 1.00 0.00 O ATOM 106 CB PRO A 10 10.389 -7.433 6.503 1.00 0.00 C ATOM 107 CG PRO A 10 11.183 -8.130 7.554 1.00 0.00 C ATOM 108 CD PRO A 10 12.397 -8.680 6.858 1.00 0.00 C ATOM 0 HA PRO A 10 11.099 -6.849 4.496 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.779 -6.637 6.930 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.709 -8.120 6.000 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.468 -7.441 8.349 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.603 -8.929 8.016 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.268 -8.685 7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.240 -9.707 6.528 1.00 0.00 H new ATOM 116 N PRO A 11 11.109 -4.486 5.181 1.00 0.00 N ATOM 117 CA PRO A 11 11.315 -3.051 5.399 1.00 0.00 C ATOM 118 C PRO A 11 10.755 -2.582 6.738 1.00 0.00 C ATOM 119 O PRO A 11 9.876 -3.225 7.313 1.00 0.00 O ATOM 120 CB PRO A 11 10.550 -2.403 4.243 1.00 0.00 C ATOM 121 CG PRO A 11 9.508 -3.401 3.871 1.00 0.00 C ATOM 122 CD PRO A 11 10.120 -4.751 4.122 1.00 0.00 C ATOM 0 HA PRO A 11 12.373 -2.791 5.427 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.102 -1.457 4.546 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.210 -2.188 3.403 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.606 -3.264 4.468 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.218 -3.292 2.826 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.373 -5.477 4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.590 -5.152 3.224 1.00 0.00 H new ATOM 130 N ILE A 12 11.268 -1.459 7.227 1.00 0.00 N ATOM 131 CA ILE A 12 10.817 -0.904 8.498 1.00 0.00 C ATOM 132 C ILE A 12 10.313 0.525 8.325 1.00 0.00 C ATOM 133 O ILE A 12 10.377 1.090 7.233 1.00 0.00 O ATOM 134 CB ILE A 12 11.943 -0.916 9.549 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.133 -0.086 9.063 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.373 -2.344 9.848 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.229 0.060 10.095 1.00 0.00 C ATOM 0 H ILE A 12 11.996 -0.915 6.763 1.00 0.00 H new ATOM 0 HA ILE A 12 10.000 -1.536 8.846 1.00 0.00 H new ATOM 0 HB ILE A 12 11.566 -0.471 10.470 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.547 -0.549 8.168 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.781 0.905 8.775 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.169 -2.336 10.592 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.523 -2.907 10.232 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.736 -2.814 8.934 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.040 0.660 9.682 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.830 0.551 10.983 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.608 -0.926 10.365 1.00 0.00 H new ATOM 149 N ASP A 13 9.813 1.105 9.411 1.00 0.00 N ATOM 150 CA ASP A 13 9.301 2.470 9.381 1.00 0.00 C ATOM 151 C ASP A 13 8.143 2.595 8.395 1.00 0.00 C ATOM 152 O ASP A 13 7.974 3.629 7.748 1.00 0.00 O ATOM 153 CB ASP A 13 10.415 3.448 9.005 1.00 0.00 C ATOM 154 CG ASP A 13 11.177 3.951 10.215 1.00 0.00 C ATOM 155 OD1 ASP A 13 11.764 3.117 10.936 1.00 0.00 O ATOM 156 OD2 ASP A 13 11.187 5.179 10.440 1.00 0.00 O ATOM 0 H ASP A 13 9.751 0.651 10.322 1.00 0.00 H new ATOM 0 HA ASP A 13 8.934 2.716 10.378 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.108 2.959 8.320 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.985 4.296 8.472 1.00 0.00 H new ATOM 161 N LEU A 14 7.350 1.535 8.285 1.00 0.00 N ATOM 162 CA LEU A 14 6.209 1.525 7.377 1.00 0.00 C ATOM 163 C LEU A 14 5.081 2.403 7.911 1.00 0.00 C ATOM 164 O LEU A 14 4.411 2.050 8.881 1.00 0.00 O ATOM 165 CB LEU A 14 5.705 0.094 7.176 1.00 0.00 C ATOM 166 CG LEU A 14 5.048 -0.202 5.828 1.00 0.00 C ATOM 167 CD1 LEU A 14 6.026 0.048 4.690 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.535 -1.634 5.788 1.00 0.00 C ATOM 0 H LEU A 14 7.476 0.672 8.813 1.00 0.00 H new ATOM 0 HA LEU A 14 6.535 1.927 6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.546 -0.588 7.305 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.987 -0.131 7.965 1.00 0.00 H new ATOM 0 HG LEU A 14 4.199 0.471 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.540 -0.168 3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.344 1.090 4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.895 -0.599 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.070 -1.827 4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.367 -2.323 5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.800 -1.779 6.579 1.00 0.00 H new ATOM 180 N VAL A 15 4.876 3.548 7.268 1.00 0.00 N ATOM 181 CA VAL A 15 3.827 4.476 7.675 1.00 0.00 C ATOM 182 C VAL A 15 3.259 5.225 6.475 1.00 0.00 C ATOM 183 O VAL A 15 3.865 5.253 5.404 1.00 0.00 O ATOM 184 CB VAL A 15 4.349 5.497 8.704 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.229 5.938 9.634 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.509 4.911 9.494 1.00 0.00 C ATOM 0 H VAL A 15 5.422 3.855 6.463 1.00 0.00 H new ATOM 0 HA VAL A 15 3.038 3.880 8.134 1.00 0.00 H new ATOM 0 HB VAL A 15 4.711 6.375 8.168 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.616 6.659 10.354 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.432 6.400 9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.834 5.072 10.165 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.865 5.646 10.216 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.176 4.017 10.021 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.319 4.650 8.812 1.00 0.00 H new ATOM 196 N VAL A 16 2.091 5.832 6.661 1.00 0.00 N ATOM 197 CA VAL A 16 1.441 6.583 5.594 1.00 0.00 C ATOM 198 C VAL A 16 1.567 8.085 5.824 1.00 0.00 C ATOM 199 O VAL A 16 1.332 8.577 6.928 1.00 0.00 O ATOM 200 CB VAL A 16 -0.050 6.216 5.477 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.692 6.954 4.312 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.217 4.712 5.322 1.00 0.00 C ATOM 0 H VAL A 16 1.576 5.818 7.541 1.00 0.00 H new ATOM 0 HA VAL A 16 1.947 6.317 4.666 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.555 6.523 6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.745 6.682 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.604 8.029 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.187 6.681 3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.277 4.470 5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.301 4.379 4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.205 4.208 6.191 1.00 0.00 H new ATOM 212 N THR A 17 1.940 8.810 4.774 1.00 0.00 N ATOM 213 CA THR A 17 2.097 10.256 4.861 1.00 0.00 C ATOM 214 C THR A 17 0.984 10.977 4.110 1.00 0.00 C ATOM 215 O THR A 17 0.709 12.149 4.365 1.00 0.00 O ATOM 216 CB THR A 17 3.458 10.708 4.296 1.00 0.00 C ATOM 217 OG1 THR A 17 3.774 12.021 4.771 1.00 0.00 O ATOM 218 CG2 THR A 17 3.440 10.704 2.775 1.00 0.00 C ATOM 0 H THR A 17 2.139 8.419 3.853 1.00 0.00 H new ATOM 0 HA THR A 17 2.045 10.516 5.918 1.00 0.00 H new ATOM 0 HB THR A 17 4.219 10.006 4.637 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.641 12.300 4.409 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.411 11.026 2.399 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.228 9.697 2.416 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.668 11.386 2.418 1.00 0.00 H new ATOM 226 N GLU A 18 0.345 10.268 3.185 1.00 0.00 N ATOM 227 CA GLU A 18 -0.739 10.842 2.397 1.00 0.00 C ATOM 228 C GLU A 18 -1.745 9.769 1.992 1.00 0.00 C ATOM 229 O GLU A 18 -1.374 8.630 1.706 1.00 0.00 O ATOM 230 CB GLU A 18 -0.184 11.533 1.150 1.00 0.00 C ATOM 231 CG GLU A 18 0.299 12.951 1.404 1.00 0.00 C ATOM 232 CD GLU A 18 0.380 13.776 0.134 1.00 0.00 C ATOM 233 OE1 GLU A 18 0.547 13.181 -0.951 1.00 0.00 O ATOM 234 OE2 GLU A 18 0.276 15.017 0.226 1.00 0.00 O ATOM 0 H GLU A 18 0.559 9.296 2.963 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.250 11.580 3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.642 10.942 0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.957 11.554 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.375 13.440 2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.282 12.917 1.874 1.00 0.00 H new ATOM 241 N THR A 19 -3.022 10.140 1.970 1.00 0.00 N ATOM 242 CA THR A 19 -4.082 9.210 1.602 1.00 0.00 C ATOM 243 C THR A 19 -5.137 9.892 0.740 1.00 0.00 C ATOM 244 O THR A 19 -5.885 10.748 1.215 1.00 0.00 O ATOM 245 CB THR A 19 -4.761 8.611 2.848 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.745 9.562 3.919 1.00 0.00 O ATOM 247 CG2 THR A 19 -4.061 7.334 3.285 1.00 0.00 C ATOM 0 H THR A 19 -3.347 11.078 2.203 1.00 0.00 H new ATOM 0 HA THR A 19 -3.615 8.408 1.031 1.00 0.00 H new ATOM 0 HB THR A 19 -5.793 8.370 2.592 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.180 9.175 4.707 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.559 6.930 4.167 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.101 6.602 2.478 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.020 7.553 3.524 1.00 0.00 H new ATOM 255 N THR A 20 -5.195 9.509 -0.532 1.00 0.00 N ATOM 256 CA THR A 20 -6.159 10.085 -1.461 1.00 0.00 C ATOM 257 C THR A 20 -7.406 9.215 -1.568 1.00 0.00 C ATOM 258 O THR A 20 -7.415 8.068 -1.120 1.00 0.00 O ATOM 259 CB THR A 20 -5.549 10.263 -2.864 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.134 10.459 -2.762 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.180 11.448 -3.581 1.00 0.00 C ATOM 0 H THR A 20 -4.585 8.802 -0.942 1.00 0.00 H new ATOM 0 HA THR A 20 -6.434 11.063 -1.066 1.00 0.00 H new ATOM 0 HB THR A 20 -5.749 9.360 -3.441 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.777 10.727 -3.634 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.734 11.555 -4.570 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.253 11.283 -3.683 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.006 12.357 -3.005 1.00 0.00 H new ATOM 269 N ALA A 21 -8.457 9.766 -2.165 1.00 0.00 N ATOM 270 CA ALA A 21 -9.709 9.039 -2.334 1.00 0.00 C ATOM 271 C ALA A 21 -9.510 7.795 -3.193 1.00 0.00 C ATOM 272 O ALA A 21 -10.103 6.747 -2.934 1.00 0.00 O ATOM 273 CB ALA A 21 -10.767 9.944 -2.948 1.00 0.00 C ATOM 0 H ALA A 21 -8.466 10.714 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.049 8.718 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.696 9.388 -3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.938 10.799 -2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.425 10.294 -3.922 1.00 0.00 H new ATOM 279 N THR A 22 -8.673 7.918 -4.218 1.00 0.00 N ATOM 280 CA THR A 22 -8.397 6.804 -5.117 1.00 0.00 C ATOM 281 C THR A 22 -6.902 6.516 -5.193 1.00 0.00 C ATOM 282 O THR A 22 -6.425 5.912 -6.154 1.00 0.00 O ATOM 283 CB THR A 22 -8.927 7.083 -6.536 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.369 8.303 -7.037 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.446 7.177 -6.538 1.00 0.00 C ATOM 0 H THR A 22 -8.174 8.778 -4.446 1.00 0.00 H new ATOM 0 HA THR A 22 -8.912 5.934 -4.709 1.00 0.00 H new ATOM 0 HB THR A 22 -8.628 6.256 -7.180 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.710 8.472 -7.940 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.797 7.374 -7.551 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.869 6.237 -6.184 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.761 7.987 -5.880 1.00 0.00 H new ATOM 293 N SER A 23 -6.168 6.951 -4.174 1.00 0.00 N ATOM 294 CA SER A 23 -4.725 6.742 -4.128 1.00 0.00 C ATOM 295 C SER A 23 -4.212 6.815 -2.693 1.00 0.00 C ATOM 296 O SER A 23 -4.921 7.259 -1.789 1.00 0.00 O ATOM 297 CB SER A 23 -4.010 7.783 -4.991 1.00 0.00 C ATOM 298 OG SER A 23 -4.453 7.723 -6.335 1.00 0.00 O ATOM 0 H SER A 23 -6.548 7.450 -3.370 1.00 0.00 H new ATOM 0 HA SER A 23 -4.513 5.748 -4.521 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.192 8.780 -4.589 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.934 7.615 -4.952 1.00 0.00 H new ATOM 0 HG SER A 23 -4.957 6.895 -6.477 1.00 0.00 H new ATOM 304 N VAL A 24 -2.974 6.375 -2.491 1.00 0.00 N ATOM 305 CA VAL A 24 -2.364 6.391 -1.166 1.00 0.00 C ATOM 306 C VAL A 24 -0.843 6.420 -1.263 1.00 0.00 C ATOM 307 O VAL A 24 -0.260 5.920 -2.226 1.00 0.00 O ATOM 308 CB VAL A 24 -2.792 5.165 -0.337 1.00 0.00 C ATOM 309 CG1 VAL A 24 -2.743 3.903 -1.184 1.00 0.00 C ATOM 310 CG2 VAL A 24 -1.912 5.024 0.896 1.00 0.00 C ATOM 0 H VAL A 24 -2.374 6.003 -3.227 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.711 7.296 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.821 5.312 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.049 3.048 -0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.418 4.008 -2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.727 3.747 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.228 4.153 1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.873 4.900 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.004 5.918 1.513 1.00 0.00 H new ATOM 320 N THR A 25 -0.202 7.007 -0.257 1.00 0.00 N ATOM 321 CA THR A 25 1.252 7.102 -0.227 1.00 0.00 C ATOM 322 C THR A 25 1.833 6.283 0.919 1.00 0.00 C ATOM 323 O THR A 25 1.270 6.241 2.014 1.00 0.00 O ATOM 324 CB THR A 25 1.716 8.564 -0.086 1.00 0.00 C ATOM 325 OG1 THR A 25 1.378 9.302 -1.266 1.00 0.00 O ATOM 326 CG2 THR A 25 3.218 8.634 0.149 1.00 0.00 C ATOM 0 H THR A 25 -0.668 7.424 0.549 1.00 0.00 H new ATOM 0 HA THR A 25 1.615 6.703 -1.174 1.00 0.00 H new ATOM 0 HB THR A 25 1.208 9.002 0.773 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.675 10.231 -1.167 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.523 9.676 0.246 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.469 8.096 1.063 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.740 8.180 -0.693 1.00 0.00 H new ATOM 334 N LEU A 26 2.963 5.634 0.662 1.00 0.00 N ATOM 335 CA LEU A 26 3.622 4.815 1.674 1.00 0.00 C ATOM 336 C LEU A 26 5.090 5.207 1.820 1.00 0.00 C ATOM 337 O LEU A 26 5.759 5.528 0.837 1.00 0.00 O ATOM 338 CB LEU A 26 3.512 3.333 1.312 1.00 0.00 C ATOM 339 CG LEU A 26 3.521 2.353 2.485 1.00 0.00 C ATOM 340 CD1 LEU A 26 2.486 2.755 3.524 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.266 0.934 1.996 1.00 0.00 C ATOM 0 H LEU A 26 3.442 5.659 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 26 3.122 4.987 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.591 3.185 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.338 3.080 0.647 1.00 0.00 H new ATOM 0 HG LEU A 26 4.505 2.384 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.507 2.046 4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.713 3.754 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.495 2.754 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.276 0.250 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.295 0.888 1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.045 0.647 1.289 1.00 0.00 H new ATOM 353 N THR A 27 5.586 5.175 3.053 1.00 0.00 N ATOM 354 CA THR A 27 6.974 5.525 3.327 1.00 0.00 C ATOM 355 C THR A 27 7.630 4.495 4.240 1.00 0.00 C ATOM 356 O THR A 27 7.005 3.991 5.173 1.00 0.00 O ATOM 357 CB THR A 27 7.084 6.916 3.980 1.00 0.00 C ATOM 358 OG1 THR A 27 6.418 6.917 5.247 1.00 0.00 O ATOM 359 CG2 THR A 27 6.477 7.984 3.082 1.00 0.00 C ATOM 0 H THR A 27 5.047 4.910 3.877 1.00 0.00 H new ATOM 0 HA THR A 27 7.492 5.540 2.368 1.00 0.00 H new ATOM 0 HB THR A 27 8.140 7.142 4.125 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.632 6.333 5.204 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.566 8.958 3.563 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.005 8.001 2.129 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.424 7.759 2.910 1.00 0.00 H new ATOM 367 N TRP A 28 8.892 4.188 3.965 1.00 0.00 N ATOM 368 CA TRP A 28 9.634 3.217 4.762 1.00 0.00 C ATOM 369 C TRP A 28 11.135 3.367 4.544 1.00 0.00 C ATOM 370 O TRP A 28 11.577 4.209 3.762 1.00 0.00 O ATOM 371 CB TRP A 28 9.194 1.795 4.411 1.00 0.00 C ATOM 372 CG TRP A 28 9.584 1.378 3.025 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.728 0.730 2.655 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.831 1.584 1.825 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.731 0.519 1.298 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.578 1.033 0.765 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.598 2.177 1.542 1.00 0.00 C ATOM 378 CZ2 TRP A 28 9.131 1.061 -0.553 1.00 0.00 C ATOM 379 CZ3 TRP A 28 7.156 2.204 0.233 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.920 1.648 -0.801 1.00 0.00 C ATOM 0 H TRP A 28 9.423 4.597 3.196 1.00 0.00 H new ATOM 0 HA TRP A 28 9.418 3.407 5.813 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.630 1.100 5.128 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.111 1.721 4.514 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.515 0.428 3.330 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.472 0.055 0.772 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.001 2.607 2.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.719 0.634 -1.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.205 2.662 0.003 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.546 1.683 -1.814 1.00 0.00 H new ATOM 391 N ASP A 29 11.915 2.547 5.240 1.00 0.00 N ATOM 392 CA ASP A 29 13.368 2.588 5.121 1.00 0.00 C ATOM 393 C ASP A 29 13.898 1.299 4.501 1.00 0.00 C ATOM 394 O ASP A 29 13.295 0.236 4.642 1.00 0.00 O ATOM 395 CB ASP A 29 14.007 2.809 6.493 1.00 0.00 C ATOM 396 CG ASP A 29 15.404 3.391 6.393 1.00 0.00 C ATOM 397 OD1 ASP A 29 15.545 4.508 5.853 1.00 0.00 O ATOM 398 OD2 ASP A 29 16.356 2.729 6.857 1.00 0.00 O ATOM 0 H ASP A 29 11.565 1.846 5.893 1.00 0.00 H new ATOM 0 HA ASP A 29 13.632 3.420 4.468 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.378 3.479 7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.049 1.860 7.028 1.00 0.00 H new ATOM 403 N SER A 30 15.031 1.403 3.812 1.00 0.00 N ATOM 404 CA SER A 30 15.640 0.247 3.166 1.00 0.00 C ATOM 405 C SER A 30 15.605 -0.971 4.084 1.00 0.00 C ATOM 406 O SER A 30 15.198 -2.058 3.677 1.00 0.00 O ATOM 407 CB SER A 30 17.085 0.560 2.771 1.00 0.00 C ATOM 408 OG SER A 30 17.133 1.325 1.579 1.00 0.00 O ATOM 0 H SER A 30 15.545 2.275 3.687 1.00 0.00 H new ATOM 0 HA SER A 30 15.065 0.020 2.268 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.576 1.106 3.577 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.637 -0.370 2.633 1.00 0.00 H new ATOM 0 HG SER A 30 18.067 1.513 1.349 1.00 0.00 H new ATOM 414 N GLY A 31 16.034 -0.779 5.328 1.00 0.00 N ATOM 415 CA GLY A 31 16.044 -1.869 6.286 1.00 0.00 C ATOM 416 C GLY A 31 17.235 -2.789 6.105 1.00 0.00 C ATOM 417 O GLY A 31 17.879 -3.181 7.078 1.00 0.00 O ATOM 0 H GLY A 31 16.375 0.112 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.055 -1.460 7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.125 -2.446 6.185 1.00 0.00 H new ATOM 421 N ASN A 32 17.528 -3.137 4.856 1.00 0.00 N ATOM 422 CA ASN A 32 18.649 -4.019 4.551 1.00 0.00 C ATOM 423 C ASN A 32 19.938 -3.222 4.383 1.00 0.00 C ATOM 424 O ASN A 32 19.932 -1.993 4.442 1.00 0.00 O ATOM 425 CB ASN A 32 18.362 -4.821 3.280 1.00 0.00 C ATOM 426 CG ASN A 32 17.350 -5.928 3.510 1.00 0.00 C ATOM 427 OD1 ASN A 32 17.707 -7.104 3.585 1.00 0.00 O ATOM 428 ND2 ASN A 32 16.081 -5.554 3.622 1.00 0.00 N ATOM 0 H ASN A 32 17.005 -2.822 4.039 1.00 0.00 H new ATOM 0 HA ASN A 32 18.775 -4.708 5.386 1.00 0.00 H new ATOM 0 HB2 ASN A 32 17.992 -4.149 2.506 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.291 -5.253 2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.355 -6.253 3.777 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.832 -4.567 3.553 1.00 0.00 H new ATOM 475 N VAL A 36 18.835 -4.303 -2.958 1.00 0.00 N ATOM 476 CA VAL A 36 18.029 -5.358 -3.561 1.00 0.00 C ATOM 477 C VAL A 36 17.479 -4.924 -4.915 1.00 0.00 C ATOM 478 O VAL A 36 17.229 -3.740 -5.146 1.00 0.00 O ATOM 479 CB VAL A 36 16.856 -5.759 -2.647 1.00 0.00 C ATOM 480 CG1 VAL A 36 17.370 -6.262 -1.307 1.00 0.00 C ATOM 481 CG2 VAL A 36 15.904 -4.587 -2.457 1.00 0.00 C ATOM 0 HA VAL A 36 18.684 -6.218 -3.698 1.00 0.00 H new ATOM 0 HB VAL A 36 16.307 -6.570 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.527 -6.540 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 36 18.008 -7.132 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.945 -5.475 -0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 36 15.081 -4.888 -1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 36 16.439 -3.754 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 36 15.509 -4.278 -3.425 1.00 0.00 H new ATOM 491 N THR A 37 17.291 -5.890 -5.808 1.00 0.00 N ATOM 492 CA THR A 37 16.771 -5.608 -7.140 1.00 0.00 C ATOM 493 C THR A 37 15.624 -4.607 -7.082 1.00 0.00 C ATOM 494 O THR A 37 15.623 -3.605 -7.799 1.00 0.00 O ATOM 495 CB THR A 37 16.282 -6.893 -7.835 1.00 0.00 C ATOM 496 OG1 THR A 37 17.349 -7.844 -7.914 1.00 0.00 O ATOM 497 CG2 THR A 37 15.763 -6.588 -9.233 1.00 0.00 C ATOM 0 H THR A 37 17.491 -6.875 -5.633 1.00 0.00 H new ATOM 0 HA THR A 37 17.592 -5.182 -7.716 1.00 0.00 H new ATOM 0 HB THR A 37 15.467 -7.311 -7.245 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.029 -8.658 -8.355 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.423 -7.510 -9.704 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.931 -5.886 -9.167 1.00 0.00 H new ATOM 0 HG23 THR A 37 16.562 -6.149 -9.830 1.00 0.00 H new ATOM 505 N TYR A 38 14.647 -4.882 -6.225 1.00 0.00 N ATOM 506 CA TYR A 38 13.492 -4.005 -6.074 1.00 0.00 C ATOM 507 C TYR A 38 12.685 -4.376 -4.834 1.00 0.00 C ATOM 508 O TYR A 38 13.022 -5.319 -4.119 1.00 0.00 O ATOM 509 CB TYR A 38 12.603 -4.081 -7.317 1.00 0.00 C ATOM 510 CG TYR A 38 11.728 -5.313 -7.361 1.00 0.00 C ATOM 511 CD1 TYR A 38 12.199 -6.505 -7.896 1.00 0.00 C ATOM 512 CD2 TYR A 38 10.430 -5.285 -6.866 1.00 0.00 C ATOM 513 CE1 TYR A 38 11.403 -7.633 -7.940 1.00 0.00 C ATOM 514 CE2 TYR A 38 9.627 -6.409 -6.904 1.00 0.00 C ATOM 515 CZ TYR A 38 10.118 -7.580 -7.442 1.00 0.00 C ATOM 516 OH TYR A 38 9.322 -8.702 -7.482 1.00 0.00 O ATOM 0 H TYR A 38 14.632 -5.706 -5.624 1.00 0.00 H new ATOM 0 HA TYR A 38 13.855 -2.984 -5.956 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.970 -3.194 -7.355 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.233 -4.061 -8.206 1.00 0.00 H new ATOM 0 HD1 TYR A 38 13.206 -6.551 -8.285 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.042 -4.369 -6.444 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.785 -8.551 -8.362 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.620 -6.371 -6.514 1.00 0.00 H new ATOM 0 HH TYR A 38 8.447 -8.497 -7.091 1.00 0.00 H new ATOM 526 N TYR A 39 11.616 -3.626 -4.586 1.00 0.00 N ATOM 527 CA TYR A 39 10.760 -3.873 -3.432 1.00 0.00 C ATOM 528 C TYR A 39 9.309 -4.062 -3.861 1.00 0.00 C ATOM 529 O TYR A 39 8.720 -3.193 -4.502 1.00 0.00 O ATOM 530 CB TYR A 39 10.863 -2.716 -2.437 1.00 0.00 C ATOM 531 CG TYR A 39 12.199 -2.640 -1.732 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.338 -2.213 -2.404 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.322 -2.996 -0.395 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.560 -2.143 -1.765 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.540 -2.927 0.253 1.00 0.00 C ATOM 536 CZ TYR A 39 14.656 -2.501 -0.436 1.00 0.00 C ATOM 537 OH TYR A 39 15.872 -2.433 0.206 1.00 0.00 O ATOM 0 H TYR A 39 11.322 -2.842 -5.169 1.00 0.00 H new ATOM 0 HA TYR A 39 11.099 -4.789 -2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.686 -1.778 -2.964 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.074 -2.817 -1.692 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.266 -1.931 -3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.451 -3.332 0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.436 -1.810 -2.302 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.618 -3.205 1.294 1.00 0.00 H new ATOM 0 HH TYR A 39 15.766 -2.718 1.138 1.00 0.00 H new ATOM 547 N GLY A 40 8.736 -5.207 -3.501 1.00 0.00 N ATOM 548 CA GLY A 40 7.358 -5.491 -3.855 1.00 0.00 C ATOM 549 C GLY A 40 6.371 -4.897 -2.870 1.00 0.00 C ATOM 550 O GLY A 40 6.752 -4.482 -1.775 1.00 0.00 O ATOM 0 H GLY A 40 9.202 -5.943 -2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.154 -5.098 -4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.214 -6.570 -3.903 1.00 0.00 H new ATOM 554 N ILE A 41 5.102 -4.854 -3.260 1.00 0.00 N ATOM 555 CA ILE A 41 4.058 -4.305 -2.403 1.00 0.00 C ATOM 556 C ILE A 41 2.736 -5.035 -2.610 1.00 0.00 C ATOM 557 O ILE A 41 2.326 -5.286 -3.743 1.00 0.00 O ATOM 558 CB ILE A 41 3.848 -2.802 -2.663 1.00 0.00 C ATOM 559 CG1 ILE A 41 5.169 -2.045 -2.504 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.794 -2.243 -1.720 1.00 0.00 C ATOM 561 CD1 ILE A 41 5.133 -0.642 -3.067 1.00 0.00 C ATOM 0 H ILE A 41 4.772 -5.193 -4.164 1.00 0.00 H new ATOM 0 HA ILE A 41 4.390 -4.444 -1.374 1.00 0.00 H new ATOM 0 HB ILE A 41 3.497 -2.671 -3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.426 -1.997 -1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.962 -2.606 -2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.657 -1.180 -1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.851 -2.766 -1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.118 -2.383 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.102 -0.166 -2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.908 -0.683 -4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.363 -0.064 -2.555 1.00 0.00 H new ATOM 573 N GLN A 42 2.073 -5.372 -1.508 1.00 0.00 N ATOM 574 CA GLN A 42 0.796 -6.073 -1.570 1.00 0.00 C ATOM 575 C GLN A 42 -0.265 -5.344 -0.752 1.00 0.00 C ATOM 576 O GLN A 42 -0.002 -4.894 0.363 1.00 0.00 O ATOM 577 CB GLN A 42 0.952 -7.507 -1.063 1.00 0.00 C ATOM 578 CG GLN A 42 1.742 -8.403 -2.003 1.00 0.00 C ATOM 579 CD GLN A 42 3.239 -8.291 -1.794 1.00 0.00 C ATOM 580 OE1 GLN A 42 3.753 -7.223 -1.462 1.00 0.00 O ATOM 581 NE2 GLN A 42 3.949 -9.397 -1.988 1.00 0.00 N ATOM 0 H GLN A 42 2.399 -5.171 -0.563 1.00 0.00 H new ATOM 0 HA GLN A 42 0.473 -6.097 -2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.446 -7.488 -0.092 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.037 -7.939 -0.909 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.435 -9.438 -1.856 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.502 -8.143 -3.034 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.482 -10.261 -2.263 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.961 -9.382 -1.862 1.00 0.00 H new ATOM 590 N TYR A 43 -1.464 -5.231 -1.314 1.00 0.00 N ATOM 591 CA TYR A 43 -2.564 -4.554 -0.637 1.00 0.00 C ATOM 592 C TYR A 43 -3.904 -5.174 -1.021 1.00 0.00 C ATOM 593 O TYR A 43 -4.072 -5.675 -2.133 1.00 0.00 O ATOM 594 CB TYR A 43 -2.562 -3.063 -0.982 1.00 0.00 C ATOM 595 CG TYR A 43 -2.699 -2.783 -2.461 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.605 -2.883 -3.312 1.00 0.00 C ATOM 597 CD2 TYR A 43 -3.923 -2.418 -3.008 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.725 -2.627 -4.664 1.00 0.00 C ATOM 599 CE2 TYR A 43 -4.053 -2.162 -4.360 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.952 -2.268 -5.183 1.00 0.00 C ATOM 601 OH TYR A 43 -3.077 -2.012 -6.529 1.00 0.00 O ATOM 0 H TYR A 43 -1.699 -5.599 -2.236 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.424 -4.672 0.437 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.379 -2.575 -0.451 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.636 -2.616 -0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.644 -3.166 -2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.787 -2.333 -2.366 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.864 -2.707 -5.311 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.012 -1.880 -4.770 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.021 -2.071 -6.787 1.00 0.00 H new ATOM 611 N ARG A 44 -4.854 -5.136 -0.093 1.00 0.00 N ATOM 612 CA ARG A 44 -6.179 -5.694 -0.332 1.00 0.00 C ATOM 613 C ARG A 44 -7.174 -5.200 0.714 1.00 0.00 C ATOM 614 O ARG A 44 -6.831 -5.042 1.885 1.00 0.00 O ATOM 615 CB ARG A 44 -6.122 -7.223 -0.317 1.00 0.00 C ATOM 616 CG ARG A 44 -7.489 -7.884 -0.394 1.00 0.00 C ATOM 617 CD ARG A 44 -7.881 -8.185 -1.833 1.00 0.00 C ATOM 618 NE ARG A 44 -8.469 -7.023 -2.494 1.00 0.00 N ATOM 619 CZ ARG A 44 -9.204 -7.100 -3.598 1.00 0.00 C ATOM 620 NH1 ARG A 44 -9.439 -8.278 -4.161 1.00 0.00 N ATOM 621 NH2 ARG A 44 -9.705 -5.998 -4.142 1.00 0.00 N ATOM 0 H ARG A 44 -4.731 -4.724 0.832 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.515 -5.360 -1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.515 -7.564 -1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.620 -7.551 0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.481 -8.809 0.183 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.236 -7.232 0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.001 -8.511 -2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.593 -9.010 -1.850 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.307 -6.102 -2.086 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.055 -9.127 -3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.004 -8.335 -5.009 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.526 -5.090 -3.712 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.269 -6.059 -4.990 1.00 0.00 H new ATOM 635 N ALA A 45 -8.408 -4.959 0.282 1.00 0.00 N ATOM 636 CA ALA A 45 -9.452 -4.485 1.181 1.00 0.00 C ATOM 637 C ALA A 45 -9.291 -5.084 2.575 1.00 0.00 C ATOM 638 O ALA A 45 -9.093 -6.289 2.723 1.00 0.00 O ATOM 639 CB ALA A 45 -10.825 -4.819 0.617 1.00 0.00 C ATOM 0 H ALA A 45 -8.708 -5.084 -0.685 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.359 -3.402 1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.596 -4.459 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.946 -4.339 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.918 -5.899 0.502 1.00 0.00 H new ATOM 732 N GLN A 53 -3.185 -8.023 -4.079 1.00 0.00 N ATOM 733 CA GLN A 53 -2.531 -7.525 -5.284 1.00 0.00 C ATOM 734 C GLN A 53 -1.015 -7.649 -5.171 1.00 0.00 C ATOM 735 O GLN A 53 -0.489 -8.004 -4.117 1.00 0.00 O ATOM 736 CB GLN A 53 -2.918 -6.067 -5.534 1.00 0.00 C ATOM 737 CG GLN A 53 -4.383 -5.880 -5.897 1.00 0.00 C ATOM 738 CD GLN A 53 -4.615 -4.669 -6.780 1.00 0.00 C ATOM 739 OE1 GLN A 53 -5.483 -3.841 -6.502 1.00 0.00 O ATOM 740 NE2 GLN A 53 -3.839 -4.560 -7.852 1.00 0.00 N ATOM 0 HA GLN A 53 -2.865 -8.132 -6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.696 -5.483 -4.641 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.299 -5.668 -6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.744 -6.772 -6.409 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.969 -5.777 -4.984 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.132 -5.270 -8.044 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.950 -3.767 -8.483 1.00 0.00 H new ATOM 749 N GLU A 54 -0.319 -7.355 -6.265 1.00 0.00 N ATOM 750 CA GLU A 54 1.136 -7.435 -6.288 1.00 0.00 C ATOM 751 C GLU A 54 1.727 -6.351 -7.186 1.00 0.00 C ATOM 752 O GLU A 54 1.213 -6.081 -8.271 1.00 0.00 O ATOM 753 CB GLU A 54 1.586 -8.815 -6.772 1.00 0.00 C ATOM 754 CG GLU A 54 3.083 -9.045 -6.649 1.00 0.00 C ATOM 755 CD GLU A 54 3.481 -9.576 -5.285 1.00 0.00 C ATOM 756 OE1 GLU A 54 3.476 -8.787 -4.317 1.00 0.00 O ATOM 757 OE2 GLU A 54 3.796 -10.780 -5.186 1.00 0.00 O ATOM 0 H GLU A 54 -0.739 -7.060 -7.146 1.00 0.00 H new ATOM 0 HA GLU A 54 1.499 -7.278 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.061 -9.580 -6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.292 -8.939 -7.814 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.403 -9.750 -7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.608 -8.108 -6.837 1.00 0.00 H new ATOM 764 N VAL A 55 2.809 -5.733 -6.724 1.00 0.00 N ATOM 765 CA VAL A 55 3.471 -4.679 -7.484 1.00 0.00 C ATOM 766 C VAL A 55 4.987 -4.829 -7.426 1.00 0.00 C ATOM 767 O VAL A 55 5.580 -4.831 -6.348 1.00 0.00 O ATOM 768 CB VAL A 55 3.084 -3.283 -6.961 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.822 -2.200 -7.733 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.579 -3.080 -7.049 1.00 0.00 C ATOM 0 H VAL A 55 3.246 -5.944 -5.827 1.00 0.00 H new ATOM 0 HA VAL A 55 3.138 -4.777 -8.517 1.00 0.00 H new ATOM 0 HB VAL A 55 3.377 -3.212 -5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.536 -1.221 -7.350 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.897 -2.336 -7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.563 -2.266 -8.790 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.323 -2.089 -6.675 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.260 -3.170 -8.087 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.074 -3.836 -6.447 1.00 0.00 H new ATOM 780 N ASP A 56 5.608 -4.954 -8.594 1.00 0.00 N ATOM 781 CA ASP A 56 7.056 -5.103 -8.678 1.00 0.00 C ATOM 782 C ASP A 56 7.668 -3.996 -9.531 1.00 0.00 C ATOM 783 O ASP A 56 7.187 -3.704 -10.625 1.00 0.00 O ATOM 784 CB ASP A 56 7.417 -6.471 -9.259 1.00 0.00 C ATOM 785 CG ASP A 56 6.825 -6.688 -10.638 1.00 0.00 C ATOM 786 OD1 ASP A 56 7.442 -6.238 -11.626 1.00 0.00 O ATOM 787 OD2 ASP A 56 5.744 -7.307 -10.729 1.00 0.00 O ATOM 0 H ASP A 56 5.131 -4.955 -9.496 1.00 0.00 H new ATOM 0 HA ASP A 56 7.463 -5.027 -7.670 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.502 -6.565 -9.313 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.063 -7.253 -8.587 1.00 0.00 H new ATOM 792 N GLY A 57 8.732 -3.383 -9.021 1.00 0.00 N ATOM 793 CA GLY A 57 9.391 -2.314 -9.749 1.00 0.00 C ATOM 794 C GLY A 57 9.581 -1.069 -8.905 1.00 0.00 C ATOM 795 O GLY A 57 9.708 0.035 -9.435 1.00 0.00 O ATOM 0 H GLY A 57 9.149 -3.607 -8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.362 -2.663 -10.100 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.803 -2.064 -10.632 1.00 0.00 H new ATOM 799 N VAL A 58 9.599 -1.246 -7.588 1.00 0.00 N ATOM 800 CA VAL A 58 9.774 -0.128 -6.669 1.00 0.00 C ATOM 801 C VAL A 58 11.227 -0.004 -6.224 1.00 0.00 C ATOM 802 O VAL A 58 11.658 -0.671 -5.283 1.00 0.00 O ATOM 803 CB VAL A 58 8.879 -0.279 -5.425 1.00 0.00 C ATOM 804 CG1 VAL A 58 8.829 1.024 -4.642 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.481 -0.723 -5.826 1.00 0.00 C ATOM 0 H VAL A 58 9.495 -2.153 -7.134 1.00 0.00 H new ATOM 0 HA VAL A 58 9.484 0.774 -7.209 1.00 0.00 H new ATOM 0 HB VAL A 58 9.308 -1.046 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.192 0.898 -3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.835 1.295 -4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.424 1.814 -5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.862 -0.825 -4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.040 0.020 -6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.537 -1.683 -6.340 1.00 0.00 H new ATOM 815 N ALA A 59 11.978 0.853 -6.907 1.00 0.00 N ATOM 816 CA ALA A 59 13.383 1.066 -6.581 1.00 0.00 C ATOM 817 C ALA A 59 13.560 2.294 -5.693 1.00 0.00 C ATOM 818 O ALA A 59 14.613 2.934 -5.703 1.00 0.00 O ATOM 819 CB ALA A 59 14.205 1.209 -7.853 1.00 0.00 C ATOM 0 H ALA A 59 11.637 1.411 -7.690 1.00 0.00 H new ATOM 0 HA ALA A 59 13.738 0.196 -6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.252 1.368 -7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.112 0.302 -8.450 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.841 2.060 -8.428 1.00 0.00 H new ATOM 825 N THR A 60 12.524 2.619 -4.927 1.00 0.00 N ATOM 826 CA THR A 60 12.565 3.771 -4.035 1.00 0.00 C ATOM 827 C THR A 60 11.942 3.442 -2.683 1.00 0.00 C ATOM 828 O THR A 60 11.273 2.420 -2.527 1.00 0.00 O ATOM 829 CB THR A 60 11.830 4.980 -4.645 1.00 0.00 C ATOM 830 OG1 THR A 60 10.566 4.568 -5.176 1.00 0.00 O ATOM 831 CG2 THR A 60 12.663 5.621 -5.744 1.00 0.00 C ATOM 0 H THR A 60 11.646 2.101 -4.906 1.00 0.00 H new ATOM 0 HA THR A 60 13.616 4.026 -3.896 1.00 0.00 H new ATOM 0 HB THR A 60 11.670 5.715 -3.857 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.844 4.990 -4.665 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.124 6.472 -6.160 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.613 5.960 -5.330 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.851 4.891 -6.531 1.00 0.00 H new ATOM 839 N THR A 61 12.167 4.314 -1.705 1.00 0.00 N ATOM 840 CA THR A 61 11.629 4.116 -0.365 1.00 0.00 C ATOM 841 C THR A 61 10.218 4.683 -0.250 1.00 0.00 C ATOM 842 O THR A 61 9.495 4.385 0.701 1.00 0.00 O ATOM 843 CB THR A 61 12.523 4.773 0.703 1.00 0.00 C ATOM 844 OG1 THR A 61 12.828 6.120 0.325 1.00 0.00 O ATOM 845 CG2 THR A 61 13.813 3.988 0.886 1.00 0.00 C ATOM 0 H THR A 61 12.719 5.165 -1.816 1.00 0.00 H new ATOM 0 HA THR A 61 11.601 3.040 -0.192 1.00 0.00 H new ATOM 0 HB THR A 61 11.980 4.775 1.648 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.395 6.531 1.010 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.428 4.471 1.645 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.579 2.971 1.202 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.358 3.958 -0.058 1.00 0.00 H new ATOM 853 N ARG A 62 9.833 5.500 -1.224 1.00 0.00 N ATOM 854 CA ARG A 62 8.508 6.109 -1.231 1.00 0.00 C ATOM 855 C ARG A 62 7.701 5.642 -2.439 1.00 0.00 C ATOM 856 O ARG A 62 8.115 5.826 -3.584 1.00 0.00 O ATOM 857 CB ARG A 62 8.625 7.634 -1.242 1.00 0.00 C ATOM 858 CG ARG A 62 7.313 8.348 -0.959 1.00 0.00 C ATOM 859 CD ARG A 62 7.545 9.774 -0.484 1.00 0.00 C ATOM 860 NE ARG A 62 6.325 10.574 -0.539 1.00 0.00 N ATOM 861 CZ ARG A 62 5.747 10.957 -1.672 1.00 0.00 C ATOM 862 NH1 ARG A 62 6.276 10.614 -2.838 1.00 0.00 N ATOM 863 NH2 ARG A 62 4.638 11.685 -1.640 1.00 0.00 N ATOM 0 H ARG A 62 10.419 5.756 -2.019 1.00 0.00 H new ATOM 0 HA ARG A 62 7.988 5.797 -0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.362 7.939 -0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.001 7.954 -2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.702 8.359 -1.861 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.754 7.798 -0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.923 9.759 0.538 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.313 10.241 -1.101 1.00 0.00 H new ATOM 0 HE ARG A 62 5.893 10.854 0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.129 10.055 -2.866 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.830 10.909 -3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.228 11.951 -0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.195 11.978 -2.511 1.00 0.00 H new ATOM 877 N TYR A 63 6.549 5.036 -2.175 1.00 0.00 N ATOM 878 CA TYR A 63 5.685 4.539 -3.240 1.00 0.00 C ATOM 879 C TYR A 63 4.216 4.771 -2.902 1.00 0.00 C ATOM 880 O TYR A 63 3.810 4.670 -1.744 1.00 0.00 O ATOM 881 CB TYR A 63 5.937 3.049 -3.477 1.00 0.00 C ATOM 882 CG TYR A 63 5.155 2.480 -4.638 1.00 0.00 C ATOM 883 CD1 TYR A 63 3.845 2.047 -4.474 1.00 0.00 C ATOM 884 CD2 TYR A 63 5.726 2.376 -5.901 1.00 0.00 C ATOM 885 CE1 TYR A 63 3.127 1.525 -5.533 1.00 0.00 C ATOM 886 CE2 TYR A 63 5.015 1.857 -6.966 1.00 0.00 C ATOM 887 CZ TYR A 63 3.716 1.432 -6.777 1.00 0.00 C ATOM 888 OH TYR A 63 3.004 0.915 -7.834 1.00 0.00 O ATOM 0 H TYR A 63 6.192 4.877 -1.233 1.00 0.00 H new ATOM 0 HA TYR A 63 5.921 5.089 -4.151 1.00 0.00 H new ATOM 0 HB2 TYR A 63 7.001 2.893 -3.655 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.681 2.497 -2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.380 2.120 -3.502 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.743 2.707 -6.053 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.110 1.192 -5.388 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.474 1.784 -7.941 1.00 0.00 H new ATOM 0 HH TYR A 63 3.563 0.920 -8.639 1.00 0.00 H new ATOM 898 N SER A 64 3.422 5.081 -3.922 1.00 0.00 N ATOM 899 CA SER A 64 1.998 5.329 -3.734 1.00 0.00 C ATOM 900 C SER A 64 1.162 4.294 -4.481 1.00 0.00 C ATOM 901 O SER A 64 1.523 3.862 -5.576 1.00 0.00 O ATOM 902 CB SER A 64 1.636 6.736 -4.216 1.00 0.00 C ATOM 903 OG SER A 64 1.804 6.853 -5.619 1.00 0.00 O ATOM 0 H SER A 64 3.741 5.166 -4.887 1.00 0.00 H new ATOM 0 HA SER A 64 1.778 5.248 -2.669 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.603 6.960 -3.950 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.262 7.470 -3.709 1.00 0.00 H new ATOM 0 HG SER A 64 1.565 7.760 -5.903 1.00 0.00 H new ATOM 909 N ILE A 65 0.045 3.900 -3.880 1.00 0.00 N ATOM 910 CA ILE A 65 -0.843 2.916 -4.487 1.00 0.00 C ATOM 911 C ILE A 65 -2.118 3.572 -5.005 1.00 0.00 C ATOM 912 O ILE A 65 -2.713 4.414 -4.333 1.00 0.00 O ATOM 913 CB ILE A 65 -1.219 1.805 -3.489 1.00 0.00 C ATOM 914 CG1 ILE A 65 0.037 1.076 -3.006 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.193 0.827 -4.127 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.659 1.695 -1.774 1.00 0.00 C ATOM 0 H ILE A 65 -0.267 4.247 -2.973 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.300 2.474 -5.322 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.705 2.261 -2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.215 0.037 -2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.774 1.067 -3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.449 0.048 -3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.098 1.357 -4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.732 0.374 -5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.544 1.127 -1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.943 2.725 -1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.061 1.680 -0.956 1.00 0.00 H new ATOM 928 N GLY A 66 -2.535 3.178 -6.205 1.00 0.00 N ATOM 929 CA GLY A 66 -3.739 3.736 -6.792 1.00 0.00 C ATOM 930 C GLY A 66 -4.718 2.667 -7.234 1.00 0.00 C ATOM 931 O GLY A 66 -4.407 1.477 -7.197 1.00 0.00 O ATOM 0 H GLY A 66 -2.060 2.482 -6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.223 4.390 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.469 4.354 -7.649 1.00 0.00 H new ATOM 935 N GLY A 67 -5.906 3.092 -7.653 1.00 0.00 N ATOM 936 CA GLY A 67 -6.917 2.149 -8.096 1.00 0.00 C ATOM 937 C GLY A 67 -7.799 1.668 -6.961 1.00 0.00 C ATOM 938 O GLY A 67 -8.429 0.614 -7.058 1.00 0.00 O ATOM 0 H GLY A 67 -6.186 4.072 -7.694 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.537 2.618 -8.860 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.431 1.292 -8.562 1.00 0.00 H new ATOM 942 N LEU A 68 -7.844 2.440 -5.881 1.00 0.00 N ATOM 943 CA LEU A 68 -8.654 2.087 -4.721 1.00 0.00 C ATOM 944 C LEU A 68 -9.982 2.837 -4.734 1.00 0.00 C ATOM 945 O LEU A 68 -10.229 3.665 -5.611 1.00 0.00 O ATOM 946 CB LEU A 68 -7.894 2.395 -3.430 1.00 0.00 C ATOM 947 CG LEU A 68 -6.474 1.834 -3.336 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.760 2.391 -2.114 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.504 0.314 -3.292 1.00 0.00 C ATOM 0 H LEU A 68 -7.329 3.315 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.862 1.018 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.844 3.477 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.472 2.008 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.922 2.141 -4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.751 1.981 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.707 3.477 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.309 2.115 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.485 -0.068 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.072 -0.014 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.976 -0.067 -4.198 1.00 0.00 H new ATOM 961 N SER A 69 -10.831 2.544 -3.755 1.00 0.00 N ATOM 962 CA SER A 69 -12.135 3.191 -3.655 1.00 0.00 C ATOM 963 C SER A 69 -12.139 4.237 -2.545 1.00 0.00 C ATOM 964 O SER A 69 -11.440 4.115 -1.539 1.00 0.00 O ATOM 965 CB SER A 69 -13.225 2.150 -3.394 1.00 0.00 C ATOM 966 OG SER A 69 -13.547 1.440 -4.578 1.00 0.00 O ATOM 0 H SER A 69 -10.640 1.863 -3.020 1.00 0.00 H new ATOM 0 HA SER A 69 -12.339 3.691 -4.602 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.889 1.452 -2.628 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.117 2.642 -3.008 1.00 0.00 H new ATOM 0 HG SER A 69 -14.245 0.780 -4.384 1.00 0.00 H new ATOM 972 N PRO A 70 -12.946 5.292 -2.731 1.00 0.00 N ATOM 973 CA PRO A 70 -13.062 6.381 -1.757 1.00 0.00 C ATOM 974 C PRO A 70 -13.768 5.943 -0.478 1.00 0.00 C ATOM 975 O PRO A 70 -14.799 5.271 -0.526 1.00 0.00 O ATOM 976 CB PRO A 70 -13.896 7.431 -2.495 1.00 0.00 C ATOM 977 CG PRO A 70 -14.682 6.655 -3.495 1.00 0.00 C ATOM 978 CD PRO A 70 -13.807 5.503 -3.906 1.00 0.00 C ATOM 0 HA PRO A 70 -12.086 6.743 -1.433 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.550 7.971 -1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.261 8.172 -2.980 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.618 6.300 -3.065 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.941 7.274 -4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.395 4.615 -4.138 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.223 5.740 -4.795 1.00 0.00 H new ATOM 986 N PHE A 71 -13.206 6.326 0.664 1.00 0.00 N ATOM 987 CA PHE A 71 -13.782 5.972 1.956 1.00 0.00 C ATOM 988 C PHE A 71 -13.694 4.468 2.196 1.00 0.00 C ATOM 989 O PHE A 71 -14.667 3.836 2.608 1.00 0.00 O ATOM 990 CB PHE A 71 -15.241 6.427 2.030 1.00 0.00 C ATOM 991 CG PHE A 71 -15.692 6.770 3.421 1.00 0.00 C ATOM 992 CD1 PHE A 71 -15.020 7.726 4.165 1.00 0.00 C ATOM 993 CD2 PHE A 71 -16.788 6.136 3.983 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.433 8.043 5.446 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.206 6.449 5.263 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.528 7.404 5.995 1.00 0.00 C ATOM 0 H PHE A 71 -12.352 6.881 0.721 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.210 6.481 2.732 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.375 7.298 1.388 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -15.880 5.638 1.634 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -14.164 8.229 3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.322 5.389 3.415 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -14.900 8.789 6.017 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -18.062 5.947 5.690 1.00 0.00 H new ATOM 0 HZ PHE A 71 -16.853 7.651 6.995 1.00 0.00 H new ATOM 1006 N SER A 72 -12.521 3.900 1.935 1.00 0.00 N ATOM 1007 CA SER A 72 -12.306 2.470 2.118 1.00 0.00 C ATOM 1008 C SER A 72 -11.032 2.210 2.918 1.00 0.00 C ATOM 1009 O SER A 72 -10.156 3.069 3.005 1.00 0.00 O ATOM 1010 CB SER A 72 -12.222 1.767 0.762 1.00 0.00 C ATOM 1011 OG SER A 72 -11.115 2.237 0.011 1.00 0.00 O ATOM 0 H SER A 72 -11.705 4.409 1.596 1.00 0.00 H new ATOM 0 HA SER A 72 -13.153 2.069 2.675 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.133 0.691 0.912 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.143 1.936 0.203 1.00 0.00 H new ATOM 0 HG SER A 72 -11.239 3.187 -0.194 1.00 0.00 H new ATOM 1017 N GLU A 73 -10.939 1.018 3.500 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.774 0.645 4.293 1.00 0.00 C ATOM 1019 C GLU A 73 -9.025 -0.516 3.646 1.00 0.00 C ATOM 1020 O GLU A 73 -9.631 -1.498 3.217 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.197 0.266 5.714 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.109 0.484 6.751 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.667 0.706 8.144 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -10.794 0.240 8.413 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -8.975 1.345 8.965 1.00 0.00 O ATOM 0 H GLU A 73 -11.656 0.295 3.437 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.106 1.505 4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.074 0.851 5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.496 -0.782 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.445 -0.380 6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.506 1.345 6.464 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.704 -0.396 3.579 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.871 -1.433 2.982 1.00 0.00 C ATOM 1034 C TYR A 74 -5.585 -1.626 3.780 1.00 0.00 C ATOM 1035 O TYR A 74 -5.137 -0.721 4.484 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.537 -1.077 1.533 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.680 -1.314 0.572 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.765 -0.447 0.527 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.675 -2.403 -0.290 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.813 -0.660 -0.349 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -8.717 -2.622 -1.170 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.784 -1.748 -1.195 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.824 -1.964 -2.069 1.00 0.00 O ATOM 0 H TYR A 74 -7.187 0.410 3.931 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.431 -2.368 2.999 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.244 -0.028 1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.676 -1.664 1.213 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.790 0.407 1.187 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.842 -3.090 -0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.650 0.022 -0.370 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.696 -3.473 -1.835 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.647 -2.772 -2.594 1.00 0.00 H new ATOM 1053 N ALA A 75 -4.996 -2.812 3.664 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.760 -3.123 4.371 1.00 0.00 C ATOM 1055 C ALA A 75 -2.594 -3.269 3.400 1.00 0.00 C ATOM 1056 O ALA A 75 -2.576 -4.174 2.567 1.00 0.00 O ATOM 1057 CB ALA A 75 -3.928 -4.394 5.192 1.00 0.00 C ATOM 0 H ALA A 75 -5.355 -3.573 3.087 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.537 -2.295 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.998 -4.615 5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.728 -4.255 5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.178 -5.224 4.531 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.621 -2.371 3.513 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.450 -2.398 2.644 1.00 0.00 C ATOM 1065 C PHE A 76 0.711 -3.125 3.317 1.00 0.00 C ATOM 1066 O PHE A 76 0.774 -3.213 4.543 1.00 0.00 O ATOM 1067 CB PHE A 76 -0.030 -0.974 2.274 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.148 -0.147 1.707 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -2.021 0.529 2.545 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -1.326 -0.045 0.337 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -3.051 1.290 2.026 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -2.354 0.715 -0.188 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.217 1.384 0.658 1.00 0.00 C ATOM 0 H PHE A 76 -1.620 -1.615 4.198 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.716 -2.938 1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.364 -0.478 3.161 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.781 -1.020 1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.895 0.460 3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.653 -0.566 -0.329 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.726 1.811 2.689 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.482 0.786 -1.258 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.020 1.980 0.250 1.00 0.00 H new ATOM 1083 N ARG A 77 1.626 -3.644 2.505 1.00 0.00 N ATOM 1084 CA ARG A 77 2.784 -4.364 3.021 1.00 0.00 C ATOM 1085 C ARG A 77 3.930 -4.344 2.014 1.00 0.00 C ATOM 1086 O ARG A 77 3.764 -4.743 0.861 1.00 0.00 O ATOM 1087 CB ARG A 77 2.406 -5.809 3.352 1.00 0.00 C ATOM 1088 CG ARG A 77 1.790 -6.560 2.183 1.00 0.00 C ATOM 1089 CD ARG A 77 1.683 -8.050 2.471 1.00 0.00 C ATOM 1090 NE ARG A 77 0.412 -8.395 3.102 1.00 0.00 N ATOM 1091 CZ ARG A 77 0.196 -8.318 4.411 1.00 0.00 C ATOM 1092 NH1 ARG A 77 1.162 -7.909 5.222 1.00 0.00 N ATOM 1093 NH2 ARG A 77 -0.987 -8.650 4.910 1.00 0.00 N ATOM 0 H ARG A 77 1.588 -3.579 1.488 1.00 0.00 H new ATOM 0 HA ARG A 77 3.115 -3.865 3.931 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.297 -6.341 3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.703 -5.810 4.185 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.799 -6.157 1.972 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.395 -6.404 1.290 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.789 -8.608 1.540 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.504 -8.354 3.120 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.352 -8.712 2.505 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.073 -7.653 4.841 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.994 -7.851 6.226 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.732 -8.965 4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.152 -8.590 5.915 1.00 0.00 H new ATOM 1107 N VAL A 78 5.093 -3.877 2.457 1.00 0.00 N ATOM 1108 CA VAL A 78 6.266 -3.805 1.595 1.00 0.00 C ATOM 1109 C VAL A 78 7.250 -4.926 1.912 1.00 0.00 C ATOM 1110 O VAL A 78 7.354 -5.372 3.056 1.00 0.00 O ATOM 1111 CB VAL A 78 6.985 -2.451 1.738 1.00 0.00 C ATOM 1112 CG1 VAL A 78 8.079 -2.314 0.690 1.00 0.00 C ATOM 1113 CG2 VAL A 78 5.989 -1.306 1.634 1.00 0.00 C ATOM 0 H VAL A 78 5.248 -3.543 3.408 1.00 0.00 H new ATOM 0 HA VAL A 78 5.913 -3.914 0.570 1.00 0.00 H new ATOM 0 HB VAL A 78 7.451 -2.409 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.576 -1.351 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.807 -3.116 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.639 -2.377 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.514 -0.356 1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.493 -1.343 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.246 -1.397 2.426 1.00 0.00 H new ATOM 1123 N LEU A 79 7.971 -5.379 0.892 1.00 0.00 N ATOM 1124 CA LEU A 79 8.948 -6.449 1.061 1.00 0.00 C ATOM 1125 C LEU A 79 10.080 -6.318 0.047 1.00 0.00 C ATOM 1126 O LEU A 79 9.841 -6.077 -1.137 1.00 0.00 O ATOM 1127 CB LEU A 79 8.271 -7.813 0.913 1.00 0.00 C ATOM 1128 CG LEU A 79 7.357 -7.980 -0.301 1.00 0.00 C ATOM 1129 CD1 LEU A 79 8.167 -8.360 -1.531 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.286 -9.024 -0.022 1.00 0.00 C ATOM 0 H LEU A 79 7.897 -5.022 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 79 9.370 -6.367 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.046 -8.578 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.686 -8.005 1.812 1.00 0.00 H new ATOM 0 HG LEU A 79 6.865 -7.027 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.500 -8.475 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.896 -7.578 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.687 -9.300 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.644 -9.130 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.759 -9.981 0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.686 -8.710 0.832 1.00 0.00 H new ATOM 1142 N ALA A 80 11.312 -6.479 0.518 1.00 0.00 N ATOM 1143 CA ALA A 80 12.480 -6.383 -0.348 1.00 0.00 C ATOM 1144 C ALA A 80 12.580 -7.592 -1.271 1.00 0.00 C ATOM 1145 O ALA A 80 12.206 -8.704 -0.897 1.00 0.00 O ATOM 1146 CB ALA A 80 13.745 -6.247 0.486 1.00 0.00 C ATOM 0 H ALA A 80 11.527 -6.677 1.495 1.00 0.00 H new ATOM 0 HA ALA A 80 12.370 -5.494 -0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.610 -6.176 -0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.682 -5.348 1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.851 -7.119 1.131 1.00 0.00 H new ATOM 1152 N VAL A 81 13.086 -7.368 -2.480 1.00 0.00 N ATOM 1153 CA VAL A 81 13.235 -8.440 -3.457 1.00 0.00 C ATOM 1154 C VAL A 81 14.534 -8.291 -4.242 1.00 0.00 C ATOM 1155 O VAL A 81 14.883 -7.197 -4.682 1.00 0.00 O ATOM 1156 CB VAL A 81 12.052 -8.469 -4.443 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.070 -9.752 -5.261 1.00 0.00 C ATOM 1158 CG2 VAL A 81 10.735 -8.320 -3.698 1.00 0.00 C ATOM 0 H VAL A 81 13.400 -6.454 -2.806 1.00 0.00 H new ATOM 0 HA VAL A 81 13.256 -9.376 -2.899 1.00 0.00 H new ATOM 0 HB VAL A 81 12.152 -7.628 -5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.227 -9.755 -5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.001 -9.811 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.995 -10.610 -4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.910 -8.343 -4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.624 -9.139 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.726 -7.371 -3.162 1.00 0.00 H new ATOM 1168 N ASN A 82 15.245 -9.400 -4.415 1.00 0.00 N ATOM 1169 CA ASN A 82 16.506 -9.394 -5.147 1.00 0.00 C ATOM 1170 C ASN A 82 16.769 -10.752 -5.790 1.00 0.00 C ATOM 1171 O ASN A 82 15.931 -11.651 -5.730 1.00 0.00 O ATOM 1172 CB ASN A 82 17.661 -9.027 -4.213 1.00 0.00 C ATOM 1173 CG ASN A 82 18.228 -10.236 -3.494 1.00 0.00 C ATOM 1174 OD1 ASN A 82 19.068 -10.956 -4.034 1.00 0.00 O ATOM 1175 ND2 ASN A 82 17.771 -10.464 -2.268 1.00 0.00 N ATOM 0 H ASN A 82 14.969 -10.315 -4.058 1.00 0.00 H new ATOM 0 HA ASN A 82 16.435 -8.646 -5.937 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.452 -8.546 -4.789 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.314 -8.300 -3.478 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.117 -11.262 -1.735 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.074 -9.841 -1.859 1.00 0.00 H new ATOM 1182 N SER A 83 17.939 -10.893 -6.405 1.00 0.00 N ATOM 1183 CA SER A 83 18.311 -12.140 -7.063 1.00 0.00 C ATOM 1184 C SER A 83 17.770 -13.342 -6.294 1.00 0.00 C ATOM 1185 O SER A 83 17.228 -14.277 -6.885 1.00 0.00 O ATOM 1186 CB SER A 83 19.833 -12.242 -7.185 1.00 0.00 C ATOM 1187 OG SER A 83 20.295 -11.590 -8.355 1.00 0.00 O ATOM 0 H SER A 83 18.645 -10.159 -6.461 1.00 0.00 H new ATOM 0 HA SER A 83 17.872 -12.141 -8.061 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.302 -11.797 -6.307 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.130 -13.291 -7.208 1.00 0.00 H new ATOM 0 HG SER A 83 21.270 -11.668 -8.409 1.00 0.00 H new ATOM 1193 N ILE A 84 17.921 -13.310 -4.975 1.00 0.00 N ATOM 1194 CA ILE A 84 17.447 -14.395 -4.125 1.00 0.00 C ATOM 1195 C ILE A 84 15.945 -14.601 -4.283 1.00 0.00 C ATOM 1196 O ILE A 84 15.489 -15.693 -4.619 1.00 0.00 O ATOM 1197 CB ILE A 84 17.764 -14.128 -2.642 1.00 0.00 C ATOM 1198 CG1 ILE A 84 19.262 -13.881 -2.454 1.00 0.00 C ATOM 1199 CG2 ILE A 84 17.302 -15.296 -1.783 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.110 -15.113 -2.680 1.00 0.00 C ATOM 0 H ILE A 84 18.368 -12.544 -4.471 1.00 0.00 H new ATOM 0 HA ILE A 84 17.970 -15.297 -4.443 1.00 0.00 H new ATOM 0 HB ILE A 84 17.226 -13.235 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 84 19.582 -13.098 -3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 84 19.437 -13.509 -1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 84 17.533 -15.092 -0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.226 -15.429 -1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 84 17.815 -16.205 -2.098 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.161 -14.864 -2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 84 19.817 -15.891 -1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 84 19.964 -15.473 -3.698 1.00 0.00 H new ATOM 1212 N GLY A 85 15.178 -13.541 -4.041 1.00 0.00 N ATOM 1213 CA GLY A 85 13.735 -13.626 -4.163 1.00 0.00 C ATOM 1214 C GLY A 85 13.020 -12.578 -3.333 1.00 0.00 C ATOM 1215 O GLY A 85 13.637 -11.622 -2.863 1.00 0.00 O ATOM 0 H GLY A 85 15.531 -12.625 -3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.455 -13.509 -5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.405 -14.618 -3.853 1.00 0.00 H new ATOM 1219 N ARG A 86 11.715 -12.756 -3.154 1.00 0.00 N ATOM 1220 CA ARG A 86 10.915 -11.817 -2.378 1.00 0.00 C ATOM 1221 C ARG A 86 10.835 -12.249 -0.917 1.00 0.00 C ATOM 1222 O ARG A 86 10.265 -13.291 -0.597 1.00 0.00 O ATOM 1223 CB ARG A 86 9.507 -11.706 -2.966 1.00 0.00 C ATOM 1224 CG ARG A 86 8.683 -12.974 -2.817 1.00 0.00 C ATOM 1225 CD ARG A 86 7.563 -13.034 -3.843 1.00 0.00 C ATOM 1226 NE ARG A 86 6.743 -14.233 -3.689 1.00 0.00 N ATOM 1227 CZ ARG A 86 5.764 -14.566 -4.523 1.00 0.00 C ATOM 1228 NH1 ARG A 86 5.485 -13.794 -5.564 1.00 0.00 N ATOM 1229 NH2 ARG A 86 5.063 -15.673 -4.316 1.00 0.00 N ATOM 0 H ARG A 86 11.190 -13.542 -3.536 1.00 0.00 H new ATOM 0 HA ARG A 86 11.399 -10.841 -2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.983 -10.883 -2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.583 -11.454 -4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.329 -13.845 -2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.261 -13.019 -1.813 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.934 -12.149 -3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.989 -13.012 -4.846 1.00 0.00 H new ATOM 0 HE ARG A 86 6.932 -14.848 -2.898 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.022 -12.942 -5.726 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.733 -14.052 -6.203 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.276 -16.269 -3.516 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.311 -15.928 -4.957 1.00 0.00 H new ATOM 1243 N GLY A 87 11.412 -11.440 -0.033 1.00 0.00 N ATOM 1244 CA GLY A 87 11.396 -11.756 1.383 1.00 0.00 C ATOM 1245 C GLY A 87 10.021 -11.587 1.999 1.00 0.00 C ATOM 1246 O GLY A 87 9.036 -11.323 1.309 1.00 0.00 O ATOM 0 H GLY A 87 11.890 -10.571 -0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 87 11.731 -12.783 1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.106 -11.113 1.904 1.00 0.00 H new ATOM 1250 N PRO A 88 9.941 -11.743 3.329 1.00 0.00 N ATOM 1251 CA PRO A 88 8.681 -11.611 4.067 1.00 0.00 C ATOM 1252 C PRO A 88 8.180 -10.171 4.106 1.00 0.00 C ATOM 1253 O PRO A 88 8.955 -9.217 4.040 1.00 0.00 O ATOM 1254 CB PRO A 88 9.043 -12.090 5.475 1.00 0.00 C ATOM 1255 CG PRO A 88 10.508 -11.849 5.592 1.00 0.00 C ATOM 1256 CD PRO A 88 11.074 -12.058 4.215 1.00 0.00 C ATOM 0 HA PRO A 88 7.875 -12.179 3.603 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.489 -11.539 6.235 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.803 -13.145 5.608 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.710 -10.839 5.948 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.960 -12.535 6.308 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.925 -11.404 4.027 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.422 -13.082 4.074 1.00 0.00 H new ATOM 1264 N PRO A 89 6.853 -10.009 4.218 1.00 0.00 N ATOM 1265 CA PRO A 89 6.219 -8.688 4.270 1.00 0.00 C ATOM 1266 C PRO A 89 6.517 -7.953 5.572 1.00 0.00 C ATOM 1267 O PRO A 89 6.759 -8.575 6.606 1.00 0.00 O ATOM 1268 CB PRO A 89 4.726 -9.007 4.165 1.00 0.00 C ATOM 1269 CG PRO A 89 4.598 -10.397 4.686 1.00 0.00 C ATOM 1270 CD PRO A 89 5.870 -11.101 4.302 1.00 0.00 C ATOM 0 HA PRO A 89 6.584 -8.029 3.482 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.130 -8.308 4.751 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.378 -8.937 3.135 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.463 -10.398 5.768 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.730 -10.897 4.256 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.158 -11.844 5.045 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.768 -11.624 3.351 1.00 0.00 H new ATOM 1278 N SER A 90 6.498 -6.625 5.514 1.00 0.00 N ATOM 1279 CA SER A 90 6.769 -5.805 6.689 1.00 0.00 C ATOM 1280 C SER A 90 5.479 -5.483 7.437 1.00 0.00 C ATOM 1281 O SER A 90 4.383 -5.748 6.946 1.00 0.00 O ATOM 1282 CB SER A 90 7.473 -4.509 6.281 1.00 0.00 C ATOM 1283 OG SER A 90 7.304 -3.505 7.267 1.00 0.00 O ATOM 0 H SER A 90 6.298 -6.094 4.666 1.00 0.00 H new ATOM 0 HA SER A 90 7.422 -6.371 7.354 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.535 -4.700 6.131 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.074 -4.159 5.329 1.00 0.00 H new ATOM 0 HG SER A 90 8.180 -3.234 7.612 1.00 0.00 H new ATOM 1289 N GLU A 91 5.620 -4.909 8.628 1.00 0.00 N ATOM 1290 CA GLU A 91 4.466 -4.552 9.444 1.00 0.00 C ATOM 1291 C GLU A 91 3.361 -3.941 8.587 1.00 0.00 C ATOM 1292 O GLU A 91 3.387 -2.749 8.279 1.00 0.00 O ATOM 1293 CB GLU A 91 4.876 -3.569 10.543 1.00 0.00 C ATOM 1294 CG GLU A 91 5.722 -2.411 10.041 1.00 0.00 C ATOM 1295 CD GLU A 91 6.392 -1.647 11.166 1.00 0.00 C ATOM 1296 OE1 GLU A 91 5.676 -1.198 12.086 1.00 0.00 O ATOM 1297 OE2 GLU A 91 7.631 -1.498 11.126 1.00 0.00 O ATOM 0 H GLU A 91 6.521 -4.682 9.048 1.00 0.00 H new ATOM 0 HA GLU A 91 4.083 -5.463 9.904 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.978 -3.173 11.017 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.431 -4.107 11.311 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.484 -2.791 9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.094 -1.729 9.467 1.00 0.00 H new ATOM 1304 N ALA A 92 2.393 -4.766 8.203 1.00 0.00 N ATOM 1305 CA ALA A 92 1.279 -4.308 7.383 1.00 0.00 C ATOM 1306 C ALA A 92 0.571 -3.123 8.031 1.00 0.00 C ATOM 1307 O ALA A 92 0.149 -3.194 9.185 1.00 0.00 O ATOM 1308 CB ALA A 92 0.297 -5.446 7.144 1.00 0.00 C ATOM 0 H ALA A 92 2.358 -5.756 8.447 1.00 0.00 H new ATOM 0 HA ALA A 92 1.678 -3.979 6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.530 -5.090 6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.804 -6.263 6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.088 -5.802 8.100 1.00 0.00 H new ATOM 1314 N VAL A 93 0.445 -2.033 7.280 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.212 -0.831 7.782 1.00 0.00 C ATOM 1316 C VAL A 93 -1.558 -0.616 7.100 1.00 0.00 C ATOM 1317 O VAL A 93 -1.675 -0.742 5.880 1.00 0.00 O ATOM 1318 CB VAL A 93 0.664 0.417 7.569 1.00 0.00 C ATOM 1319 CG1 VAL A 93 2.024 0.234 8.226 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.815 0.716 6.085 1.00 0.00 C ATOM 0 H VAL A 93 0.789 -1.957 6.323 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.369 -0.978 8.851 1.00 0.00 H new ATOM 0 HB VAL A 93 0.172 1.269 8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.629 1.126 8.065 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.892 0.073 9.296 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.526 -0.629 7.789 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.437 1.601 5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.284 -0.134 5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.167 0.895 5.648 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.572 -0.291 7.894 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.912 -0.058 7.367 1.00 0.00 C ATOM 1332 C ARG A 94 -4.201 1.436 7.258 1.00 0.00 C ATOM 1333 O ARG A 94 -4.116 2.168 8.243 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.958 -0.727 8.261 1.00 0.00 C ATOM 1335 CG ARG A 94 -4.947 -2.245 8.179 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.238 -2.841 8.720 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.157 -3.110 10.153 1.00 0.00 N ATOM 1338 CZ ARG A 94 -6.397 -2.196 11.087 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -6.731 -0.961 10.741 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -6.304 -2.518 12.371 1.00 0.00 N ATOM 0 H ARG A 94 -2.492 -0.183 8.905 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.964 -0.494 6.369 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.787 -0.426 9.294 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.947 -0.364 7.983 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -4.809 -2.554 7.143 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.100 -2.635 8.744 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.063 -2.156 8.526 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.461 -3.767 8.189 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.902 -4.051 10.453 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.804 -0.710 9.755 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.915 -0.262 11.461 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.048 -3.468 12.641 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.488 -1.816 13.088 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.543 1.880 6.053 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.847 3.286 5.815 1.00 0.00 C ATOM 1356 C ALA A 95 -6.185 3.446 5.101 1.00 0.00 C ATOM 1357 O ALA A 95 -6.412 2.851 4.048 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.734 3.937 5.007 1.00 0.00 C ATOM 0 H ALA A 95 -4.617 1.287 5.227 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.919 3.785 6.781 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.974 4.986 4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.795 3.864 5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.634 3.427 4.049 1.00 0.00 H new ATOM 1364 N ARG A 96 -7.068 4.251 5.682 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.385 4.487 5.102 1.00 0.00 C ATOM 1366 C ARG A 96 -8.338 5.634 4.097 1.00 0.00 C ATOM 1367 O ARG A 96 -8.058 6.779 4.457 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.401 4.799 6.202 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.824 4.397 5.847 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.763 4.569 7.031 1.00 0.00 C ATOM 1371 NE ARG A 96 -11.816 3.372 7.866 1.00 0.00 N ATOM 1372 CZ ARG A 96 -12.560 3.272 8.962 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -13.309 4.294 9.353 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -12.556 2.150 9.668 1.00 0.00 N ATOM 0 H ARG A 96 -6.896 4.751 6.554 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.693 3.581 4.579 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.104 4.285 7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.377 5.868 6.415 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.176 5.001 5.011 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.838 3.358 5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.436 5.417 7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.764 4.803 6.669 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.251 2.568 7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.315 5.159 8.812 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.880 4.215 10.195 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.981 1.362 9.370 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.128 2.075 10.509 1.00 0.00 H new ATOM 1388 N THR A 97 -8.614 5.321 2.835 1.00 0.00 N ATOM 1389 CA THR A 97 -8.603 6.324 1.778 1.00 0.00 C ATOM 1390 C THR A 97 -9.675 7.382 2.013 1.00 0.00 C ATOM 1391 O THR A 97 -10.719 7.102 2.600 1.00 0.00 O ATOM 1392 CB THR A 97 -8.823 5.684 0.394 1.00 0.00 C ATOM 1393 OG1 THR A 97 -10.135 5.117 0.320 1.00 0.00 O ATOM 1394 CG2 THR A 97 -7.783 4.607 0.125 1.00 0.00 C ATOM 0 H THR A 97 -8.848 4.380 2.520 1.00 0.00 H new ATOM 0 HA THR A 97 -7.621 6.796 1.800 1.00 0.00 H new ATOM 0 HB THR A 97 -8.721 6.462 -0.363 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.342 4.892 -0.611 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.958 4.169 -0.858 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.787 5.048 0.153 1.00 0.00 H new ATOM 0 HG23 THR A 97 -7.858 3.831 0.886 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.410 8.600 1.549 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.362 9.681 1.718 1.00 0.00 C ATOM 1404 C GLY A 98 -11.617 9.483 0.890 1.00 0.00 C ATOM 1405 O GLY A 98 -11.700 8.551 0.091 1.00 0.00 O ATOM 0 H GLY A 98 -8.553 8.856 1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.634 9.761 2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.891 10.623 1.438 1.00 0.00 H new