USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 385 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 39 CYS SG : rot -74:sc= 1.28 USER MOD Set 1.2: A 51 CYS SG : rot 76:sc= 1.12 USER MOD Set 2.1: A 13 CYS SG : rot -130:sc= 0.913 USER MOD Set 2.2: A 42 CYS SG : rot 158:sc= 0.413 USER MOD Set 3.1: A 25 CYS SG : rot 70:sc= 1.53 USER MOD Set 3.2: A 38 CYS SG : rot -78:sc= 0.287 USER MOD Set 4.1: A 27 ASN : amide:sc= -0.149 K(o=2.3,f=1.2) USER MOD Set 4.2: A 34 CYS SG : rot 112:sc= 0.187 USER MOD Set 4.3: A 60 CYS SG : rot -79:sc= 2.29 USER MOD Single : A 6 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.7) USER MOD Single : A 10 ASN : amide:sc= 0.83 K(o=0.83,f=-6.4!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00391 USER MOD Single : A 12 ASN : amide:sc= 0.287 X(o=0.29,f=0) USER MOD Single : A 15 TYR OH : rot 157:sc= 0.711 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 17 ASN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 18 SER OG : rot 7:sc= 0.624 USER MOD Single : A 19 GLN : amide:sc= 0.307 X(o=0.31,f=-0.004) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -78:sc= 1.22 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.31 K(o=0.31,f=-0.87) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.4) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 86:sc= 1.02 USER MOD Single : A 54 GLN : amide:sc= -0.0422 K(o=-0.042,f=-0.93) USER MOD Single : A 58 ASN : amide:sc= 0.743 K(o=0.74,f=-0.034) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -7.818 0.326 8.774 1.00 0.00 N ATOM 16 CA ASP A 2 -8.164 0.548 7.375 1.00 0.00 C ATOM 17 C ASP A 2 -7.261 1.682 6.855 1.00 0.00 C ATOM 18 O ASP A 2 -6.794 2.490 7.659 1.00 0.00 O ATOM 19 CB ASP A 2 -9.635 0.979 7.298 1.00 0.00 C ATOM 20 CG ASP A 2 -10.630 -0.179 7.443 1.00 0.00 C ATOM 21 OD1 ASP A 2 -10.618 -0.906 8.468 1.00 0.00 O ATOM 22 OD2 ASP A 2 -11.485 -0.369 6.550 1.00 0.00 O ATOM 0 HA ASP A 2 -8.023 -0.354 6.779 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.830 1.713 8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.808 1.477 6.344 1.00 0.00 H new ATOM 27 N PRO A 3 -7.023 1.799 5.538 1.00 0.00 N ATOM 28 CA PRO A 3 -6.194 2.852 4.939 1.00 0.00 C ATOM 29 C PRO A 3 -6.881 4.219 4.916 1.00 0.00 C ATOM 30 O PRO A 3 -6.315 5.202 4.440 1.00 0.00 O ATOM 31 CB PRO A 3 -5.931 2.376 3.514 1.00 0.00 C ATOM 32 CG PRO A 3 -7.176 1.561 3.172 1.00 0.00 C ATOM 33 CD PRO A 3 -7.573 0.938 4.508 1.00 0.00 C ATOM 0 HA PRO A 3 -5.286 2.999 5.523 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.800 3.214 2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.027 1.771 3.454 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.970 2.191 2.771 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.964 0.800 2.422 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.657 0.868 4.598 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.180 -0.075 4.597 1.00 0.00 H new ATOM 41 N GLU A 4 -8.128 4.264 5.368 1.00 0.00 N ATOM 42 CA GLU A 4 -8.907 5.482 5.410 1.00 0.00 C ATOM 43 C GLU A 4 -8.267 6.508 6.340 1.00 0.00 C ATOM 44 O GLU A 4 -7.963 7.622 5.923 1.00 0.00 O ATOM 45 CB GLU A 4 -10.320 5.140 5.870 1.00 0.00 C ATOM 46 CG GLU A 4 -11.201 6.395 5.777 1.00 0.00 C ATOM 47 CD GLU A 4 -12.640 6.042 5.434 1.00 0.00 C ATOM 48 OE1 GLU A 4 -12.952 5.889 4.227 1.00 0.00 O ATOM 49 OE2 GLU A 4 -13.471 5.940 6.364 1.00 0.00 O ATOM 0 H GLU A 4 -8.626 3.445 5.718 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.942 5.926 4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.734 4.344 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.302 4.769 6.895 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.173 6.931 6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.800 7.067 5.019 1.00 0.00 H new ATOM 56 N GLU A 5 -8.071 6.128 7.602 1.00 0.00 N ATOM 57 CA GLU A 5 -7.658 7.047 8.656 1.00 0.00 C ATOM 58 C GLU A 5 -6.138 7.068 8.831 1.00 0.00 C ATOM 59 O GLU A 5 -5.641 7.592 9.829 1.00 0.00 O ATOM 60 CB GLU A 5 -8.394 6.724 9.965 1.00 0.00 C ATOM 61 CG GLU A 5 -9.917 6.894 9.867 1.00 0.00 C ATOM 62 CD GLU A 5 -10.552 6.839 11.259 1.00 0.00 C ATOM 63 OE1 GLU A 5 -10.309 7.769 12.071 1.00 0.00 O ATOM 64 OE2 GLU A 5 -11.302 5.883 11.551 1.00 0.00 O ATOM 0 H GLU A 5 -8.196 5.167 7.921 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.940 8.057 8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.168 5.698 10.256 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.014 7.371 10.756 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.153 7.845 9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.337 6.109 9.238 1.00 0.00 H new ATOM 71 N HIS A 6 -5.398 6.475 7.896 1.00 0.00 N ATOM 72 CA HIS A 6 -3.965 6.270 7.975 1.00 0.00 C ATOM 73 C HIS A 6 -3.382 6.614 6.621 1.00 0.00 C ATOM 74 O HIS A 6 -3.637 5.912 5.645 1.00 0.00 O ATOM 75 CB HIS A 6 -3.678 4.816 8.339 1.00 0.00 C ATOM 76 CG HIS A 6 -4.085 4.483 9.740 1.00 0.00 C ATOM 77 ND1 HIS A 6 -3.293 4.624 10.856 1.00 0.00 N ATOM 78 CD2 HIS A 6 -5.338 4.114 10.139 1.00 0.00 C ATOM 79 CE1 HIS A 6 -4.047 4.332 11.922 1.00 0.00 C ATOM 80 NE2 HIS A 6 -5.292 4.000 11.539 1.00 0.00 N ATOM 0 H HIS A 6 -5.802 6.113 7.032 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.516 6.901 8.742 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -4.205 4.161 7.646 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.613 4.618 8.217 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.195 3.944 9.504 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.704 4.359 12.946 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.059 3.718 12.150 1.00 0.00 H new ATOM 88 N PHE A 7 -2.652 7.718 6.547 1.00 0.00 N ATOM 89 CA PHE A 7 -2.046 8.212 5.337 1.00 0.00 C ATOM 90 C PHE A 7 -0.891 9.074 5.813 1.00 0.00 C ATOM 91 O PHE A 7 -1.116 10.043 6.544 1.00 0.00 O ATOM 92 CB PHE A 7 -3.082 9.032 4.560 1.00 0.00 C ATOM 93 CG PHE A 7 -2.929 9.101 3.056 1.00 0.00 C ATOM 94 CD1 PHE A 7 -1.739 8.756 2.379 1.00 0.00 C ATOM 95 CD2 PHE A 7 -4.058 9.487 2.313 1.00 0.00 C ATOM 96 CE1 PHE A 7 -1.730 8.690 0.977 1.00 0.00 C ATOM 97 CE2 PHE A 7 -4.034 9.472 0.912 1.00 0.00 C ATOM 98 CZ PHE A 7 -2.886 9.017 0.254 1.00 0.00 C ATOM 0 H PHE A 7 -2.464 8.307 7.358 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.699 7.425 4.668 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.068 8.624 4.780 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.065 10.051 4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.839 8.544 2.938 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.955 9.799 2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.834 8.388 0.456 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.891 9.808 0.347 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.890 8.917 -0.821 1.00 0.00 H new ATOM 108 N ASP A 8 0.339 8.703 5.476 1.00 0.00 N ATOM 109 CA ASP A 8 1.501 9.522 5.785 1.00 0.00 C ATOM 110 C ASP A 8 2.567 9.156 4.744 1.00 0.00 C ATOM 111 O ASP A 8 3.436 8.320 5.013 1.00 0.00 O ATOM 112 CB ASP A 8 1.925 9.346 7.263 1.00 0.00 C ATOM 113 CG ASP A 8 2.265 10.680 7.931 1.00 0.00 C ATOM 114 OD1 ASP A 8 3.330 11.269 7.622 1.00 0.00 O ATOM 115 OD2 ASP A 8 1.452 11.151 8.771 1.00 0.00 O ATOM 0 H ASP A 8 0.556 7.835 4.986 1.00 0.00 H new ATOM 0 HA ASP A 8 1.302 10.591 5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.120 8.861 7.815 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.790 8.685 7.314 1.00 0.00 H new ATOM 120 N PRO A 9 2.457 9.679 3.507 1.00 0.00 N ATOM 121 CA PRO A 9 3.444 9.415 2.477 1.00 0.00 C ATOM 122 C PRO A 9 4.786 10.034 2.876 1.00 0.00 C ATOM 123 O PRO A 9 4.831 11.043 3.590 1.00 0.00 O ATOM 124 CB PRO A 9 2.902 10.018 1.176 1.00 0.00 C ATOM 125 CG PRO A 9 1.501 10.530 1.498 1.00 0.00 C ATOM 126 CD PRO A 9 1.451 10.611 3.016 1.00 0.00 C ATOM 0 HA PRO A 9 3.615 8.347 2.344 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.542 10.828 0.826 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.871 9.271 0.383 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.323 11.505 1.045 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.736 9.855 1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.659 11.625 3.359 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.461 10.346 3.387 1.00 0.00 H new ATOM 134 N ASN A 10 5.880 9.509 2.337 1.00 0.00 N ATOM 135 CA ASN A 10 7.163 10.201 2.297 1.00 0.00 C ATOM 136 C ASN A 10 7.514 10.514 0.849 1.00 0.00 C ATOM 137 O ASN A 10 6.776 10.164 -0.076 1.00 0.00 O ATOM 138 CB ASN A 10 8.268 9.436 3.035 1.00 0.00 C ATOM 139 CG ASN A 10 8.765 8.219 2.273 1.00 0.00 C ATOM 140 OD1 ASN A 10 9.483 8.351 1.287 1.00 0.00 O ATOM 141 ND2 ASN A 10 8.414 7.029 2.711 1.00 0.00 N ATOM 0 H ASN A 10 5.902 8.582 1.911 1.00 0.00 H new ATOM 0 HA ASN A 10 7.075 11.142 2.839 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.106 10.108 3.219 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.894 9.119 4.008 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.740 6.191 2.229 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.816 6.944 3.533 1.00 0.00 H new ATOM 148 N THR A 11 8.638 11.193 0.639 1.00 0.00 N ATOM 149 CA THR A 11 9.031 11.721 -0.663 1.00 0.00 C ATOM 150 C THR A 11 9.253 10.650 -1.741 1.00 0.00 C ATOM 151 O THR A 11 9.346 10.989 -2.919 1.00 0.00 O ATOM 152 CB THR A 11 10.232 12.656 -0.489 1.00 0.00 C ATOM 153 OG1 THR A 11 11.266 12.079 0.298 1.00 0.00 O ATOM 154 CG2 THR A 11 9.815 13.949 0.219 1.00 0.00 C ATOM 0 H THR A 11 9.311 11.395 1.379 1.00 0.00 H new ATOM 0 HA THR A 11 8.189 12.294 -1.051 1.00 0.00 H new ATOM 0 HB THR A 11 10.600 12.848 -1.497 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.009 12.713 0.378 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.683 14.598 0.332 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.055 14.459 -0.373 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.409 13.711 1.202 1.00 0.00 H new ATOM 162 N ASN A 12 9.322 9.363 -1.389 1.00 0.00 N ATOM 163 CA ASN A 12 9.366 8.288 -2.373 1.00 0.00 C ATOM 164 C ASN A 12 7.991 8.060 -3.032 1.00 0.00 C ATOM 165 O ASN A 12 7.918 7.327 -4.018 1.00 0.00 O ATOM 166 CB ASN A 12 9.900 6.993 -1.729 1.00 0.00 C ATOM 167 CG ASN A 12 10.756 6.181 -2.689 1.00 0.00 C ATOM 168 OD1 ASN A 12 11.977 6.111 -2.554 1.00 0.00 O ATOM 169 ND2 ASN A 12 10.173 5.589 -3.710 1.00 0.00 N ATOM 0 H ASN A 12 9.349 9.043 -0.421 1.00 0.00 H new ATOM 0 HA ASN A 12 10.052 8.587 -3.166 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.487 7.245 -0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.061 6.385 -1.391 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.733 5.073 -4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.161 5.646 -3.823 1.00 0.00 H new ATOM 176 N CYS A 13 6.894 8.650 -2.540 1.00 0.00 N ATOM 177 CA CYS A 13 5.529 8.399 -2.981 1.00 0.00 C ATOM 178 C CYS A 13 4.821 9.707 -3.353 1.00 0.00 C ATOM 179 O CYS A 13 5.329 10.791 -3.060 1.00 0.00 O ATOM 180 CB CYS A 13 4.831 7.638 -1.849 1.00 0.00 C ATOM 181 SG CYS A 13 4.525 5.899 -2.258 1.00 0.00 S ATOM 0 H CYS A 13 6.943 9.343 -1.793 1.00 0.00 H new ATOM 0 HA CYS A 13 5.506 7.798 -3.890 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.443 7.693 -0.949 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.883 8.125 -1.620 1.00 0.00 H new ATOM 0 HG CYS A 13 3.285 5.604 -2.001 1.00 0.00 H new ATOM 186 N ASP A 14 3.666 9.606 -4.025 1.00 0.00 N ATOM 187 CA ASP A 14 2.964 10.739 -4.652 1.00 0.00 C ATOM 188 C ASP A 14 1.442 10.627 -4.556 1.00 0.00 C ATOM 189 O ASP A 14 0.747 11.644 -4.624 1.00 0.00 O ATOM 190 CB ASP A 14 3.296 10.830 -6.155 1.00 0.00 C ATOM 191 CG ASP A 14 4.720 11.288 -6.433 1.00 0.00 C ATOM 192 OD1 ASP A 14 5.000 12.493 -6.256 1.00 0.00 O ATOM 193 OD2 ASP A 14 5.538 10.408 -6.789 1.00 0.00 O ATOM 0 H ASP A 14 3.182 8.717 -4.152 1.00 0.00 H new ATOM 0 HA ASP A 14 3.305 11.619 -4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.140 9.853 -6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.601 11.521 -6.632 1.00 0.00 H new ATOM 198 N TYR A 15 0.893 9.409 -4.485 1.00 0.00 N ATOM 199 CA TYR A 15 -0.540 9.196 -4.649 1.00 0.00 C ATOM 200 C TYR A 15 -1.244 9.615 -3.370 1.00 0.00 C ATOM 201 O TYR A 15 -1.092 8.973 -2.337 1.00 0.00 O ATOM 202 CB TYR A 15 -0.875 7.739 -5.008 1.00 0.00 C ATOM 203 CG TYR A 15 -0.572 7.306 -6.434 1.00 0.00 C ATOM 204 CD1 TYR A 15 0.310 8.028 -7.264 1.00 0.00 C ATOM 205 CD2 TYR A 15 -1.210 6.160 -6.943 1.00 0.00 C ATOM 206 CE1 TYR A 15 0.572 7.601 -8.572 1.00 0.00 C ATOM 207 CE2 TYR A 15 -0.994 5.758 -8.274 1.00 0.00 C ATOM 208 CZ TYR A 15 -0.095 6.476 -9.097 1.00 0.00 C ATOM 209 OH TYR A 15 0.168 6.061 -10.366 1.00 0.00 O ATOM 0 H TYR A 15 1.426 8.556 -4.314 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.889 9.804 -5.483 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.327 7.085 -4.329 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.936 7.576 -4.820 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.789 8.920 -6.887 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.869 5.586 -6.309 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.287 8.135 -9.180 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.516 4.899 -8.668 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.068 5.114 -10.456 1.00 0.00 H new ATOM 219 N THR A 16 -2.064 10.655 -3.466 1.00 0.00 N ATOM 220 CA THR A 16 -2.763 11.305 -2.365 1.00 0.00 C ATOM 221 C THR A 16 -4.245 10.891 -2.334 1.00 0.00 C ATOM 222 O THR A 16 -5.118 11.691 -1.998 1.00 0.00 O ATOM 223 CB THR A 16 -2.527 12.825 -2.453 1.00 0.00 C ATOM 224 OG1 THR A 16 -2.662 13.278 -3.792 1.00 0.00 O ATOM 225 CG2 THR A 16 -1.128 13.198 -1.951 1.00 0.00 C ATOM 0 H THR A 16 -2.270 11.091 -4.365 1.00 0.00 H new ATOM 0 HA THR A 16 -2.363 10.976 -1.406 1.00 0.00 H new ATOM 0 HB THR A 16 -3.277 13.304 -1.823 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.510 14.246 -3.827 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.990 14.277 -2.025 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.020 12.889 -0.911 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.377 12.694 -2.559 1.00 0.00 H new ATOM 233 N ASN A 17 -4.556 9.645 -2.716 1.00 0.00 N ATOM 234 CA ASN A 17 -5.894 9.062 -2.538 1.00 0.00 C ATOM 235 C ASN A 17 -5.755 7.745 -1.789 1.00 0.00 C ATOM 236 O ASN A 17 -5.012 6.876 -2.253 1.00 0.00 O ATOM 237 CB ASN A 17 -6.674 8.776 -3.835 1.00 0.00 C ATOM 238 CG ASN A 17 -6.383 9.687 -5.011 1.00 0.00 C ATOM 239 OD1 ASN A 17 -7.177 10.527 -5.417 1.00 0.00 O ATOM 240 ND2 ASN A 17 -5.212 9.527 -5.593 1.00 0.00 N ATOM 0 H ASN A 17 -3.888 9.013 -3.157 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.464 9.816 -1.996 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.468 7.750 -4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.740 8.835 -3.613 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.956 10.107 -6.393 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.561 8.824 -5.244 1.00 0.00 H new ATOM 247 N SER A 18 -6.536 7.561 -0.726 1.00 0.00 N ATOM 248 CA SER A 18 -6.632 6.342 0.092 1.00 0.00 C ATOM 249 C SER A 18 -7.387 5.216 -0.636 1.00 0.00 C ATOM 250 O SER A 18 -8.188 4.500 -0.029 1.00 0.00 O ATOM 251 CB SER A 18 -7.278 6.649 1.457 1.00 0.00 C ATOM 252 OG SER A 18 -6.534 7.590 2.208 1.00 0.00 O ATOM 0 H SER A 18 -7.156 8.297 -0.389 1.00 0.00 H new ATOM 0 HA SER A 18 -5.616 5.986 0.264 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.287 7.030 1.301 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.371 5.725 2.028 1.00 0.00 H new ATOM 0 HG SER A 18 -5.800 7.939 1.660 1.00 0.00 H new ATOM 258 N GLN A 19 -7.197 5.073 -1.950 1.00 0.00 N ATOM 259 CA GLN A 19 -7.717 3.974 -2.726 1.00 0.00 C ATOM 260 C GLN A 19 -6.735 3.678 -3.864 1.00 0.00 C ATOM 261 O GLN A 19 -6.227 2.569 -3.927 1.00 0.00 O ATOM 262 CB GLN A 19 -9.134 4.333 -3.184 1.00 0.00 C ATOM 263 CG GLN A 19 -10.046 3.100 -3.198 1.00 0.00 C ATOM 264 CD GLN A 19 -9.675 2.122 -4.296 1.00 0.00 C ATOM 265 OE1 GLN A 19 -9.829 2.447 -5.473 1.00 0.00 O ATOM 266 NE2 GLN A 19 -9.175 0.953 -3.947 1.00 0.00 N ATOM 0 H GLN A 19 -6.663 5.741 -2.505 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.805 3.054 -2.149 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.552 5.089 -2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.096 4.771 -4.182 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.989 2.598 -2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.080 3.417 -3.331 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.063 0.720 -2.960 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.900 0.281 -4.664 1.00 0.00 H new ATOM 275 N ASP A 20 -6.372 4.652 -4.713 1.00 0.00 N ATOM 276 CA ASP A 20 -5.354 4.430 -5.752 1.00 0.00 C ATOM 277 C ASP A 20 -4.008 4.072 -5.142 1.00 0.00 C ATOM 278 O ASP A 20 -3.356 3.150 -5.624 1.00 0.00 O ATOM 279 CB ASP A 20 -5.163 5.653 -6.661 1.00 0.00 C ATOM 280 CG ASP A 20 -5.981 5.540 -7.944 1.00 0.00 C ATOM 281 OD1 ASP A 20 -5.896 4.501 -8.643 1.00 0.00 O ATOM 282 OD2 ASP A 20 -6.760 6.481 -8.223 1.00 0.00 O ATOM 0 H ASP A 20 -6.764 5.593 -4.701 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.725 3.600 -6.353 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.454 6.555 -6.123 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.107 5.758 -6.911 1.00 0.00 H new ATOM 287 N ALA A 21 -3.574 4.784 -4.095 1.00 0.00 N ATOM 288 CA ALA A 21 -2.331 4.459 -3.411 1.00 0.00 C ATOM 289 C ALA A 21 -2.373 3.004 -2.958 1.00 0.00 C ATOM 290 O ALA A 21 -1.519 2.213 -3.344 1.00 0.00 O ATOM 291 CB ALA A 21 -2.125 5.409 -2.233 1.00 0.00 C ATOM 0 H ALA A 21 -4.070 5.587 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.486 4.583 -4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.193 5.161 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.078 6.435 -2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.957 5.309 -1.535 1.00 0.00 H new ATOM 297 N TRP A 22 -3.408 2.643 -2.197 1.00 0.00 N ATOM 298 CA TRP A 22 -3.635 1.290 -1.723 1.00 0.00 C ATOM 299 C TRP A 22 -3.604 0.292 -2.886 1.00 0.00 C ATOM 300 O TRP A 22 -2.898 -0.709 -2.809 1.00 0.00 O ATOM 301 CB TRP A 22 -4.981 1.247 -0.996 1.00 0.00 C ATOM 302 CG TRP A 22 -5.407 -0.089 -0.487 1.00 0.00 C ATOM 303 CD1 TRP A 22 -6.191 -0.973 -1.142 1.00 0.00 C ATOM 304 CD2 TRP A 22 -5.186 -0.655 0.832 1.00 0.00 C ATOM 305 NE1 TRP A 22 -6.506 -2.021 -0.299 1.00 0.00 N ATOM 306 CE2 TRP A 22 -5.949 -1.851 0.953 1.00 0.00 C ATOM 307 CE3 TRP A 22 -4.472 -0.223 1.963 1.00 0.00 C ATOM 308 CZ2 TRP A 22 -6.025 -2.565 2.160 1.00 0.00 C ATOM 309 CZ3 TRP A 22 -4.579 -0.898 3.189 1.00 0.00 C ATOM 310 CH2 TRP A 22 -5.346 -2.067 3.284 1.00 0.00 C ATOM 0 H TRP A 22 -4.123 3.303 -1.890 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.841 1.004 -1.033 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -4.939 1.938 -0.154 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.750 1.617 -1.674 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.520 -0.875 -2.166 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.079 -2.821 -0.568 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.830 0.643 1.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.595 -3.480 2.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.069 -0.516 4.061 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -5.415 -2.588 4.227 1.00 0.00 H new ATOM 321 N ASP A 23 -4.328 0.529 -3.979 1.00 0.00 N ATOM 322 CA ASP A 23 -4.419 -0.412 -5.095 1.00 0.00 C ATOM 323 C ASP A 23 -3.029 -0.688 -5.662 1.00 0.00 C ATOM 324 O ASP A 23 -2.621 -1.843 -5.824 1.00 0.00 O ATOM 325 CB ASP A 23 -5.316 0.111 -6.231 1.00 0.00 C ATOM 326 CG ASP A 23 -6.814 0.049 -5.969 1.00 0.00 C ATOM 327 OD1 ASP A 23 -7.260 -0.709 -5.083 1.00 0.00 O ATOM 328 OD2 ASP A 23 -7.562 0.728 -6.708 1.00 0.00 O ATOM 0 H ASP A 23 -4.870 1.382 -4.116 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.863 -1.326 -4.700 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.044 1.146 -6.437 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.099 -0.461 -7.133 1.00 0.00 H new ATOM 333 N TYR A 24 -2.290 0.380 -5.954 1.00 0.00 N ATOM 334 CA TYR A 24 -0.970 0.283 -6.546 1.00 0.00 C ATOM 335 C TYR A 24 0.026 -0.332 -5.548 1.00 0.00 C ATOM 336 O TYR A 24 0.935 -1.056 -5.960 1.00 0.00 O ATOM 337 CB TYR A 24 -0.514 1.675 -7.002 1.00 0.00 C ATOM 338 CG TYR A 24 -1.082 2.133 -8.339 1.00 0.00 C ATOM 339 CD1 TYR A 24 -2.472 2.264 -8.542 1.00 0.00 C ATOM 340 CD2 TYR A 24 -0.201 2.465 -9.385 1.00 0.00 C ATOM 341 CE1 TYR A 24 -2.978 2.708 -9.777 1.00 0.00 C ATOM 342 CE2 TYR A 24 -0.695 2.895 -10.629 1.00 0.00 C ATOM 343 CZ TYR A 24 -2.087 3.021 -10.829 1.00 0.00 C ATOM 344 OH TYR A 24 -2.566 3.433 -12.034 1.00 0.00 O ATOM 0 H TYR A 24 -2.597 1.338 -5.784 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.009 -0.374 -7.415 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.793 2.401 -6.238 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.574 1.682 -7.065 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.154 2.021 -7.741 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.865 2.389 -9.231 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.044 2.809 -9.921 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.010 3.129 -11.431 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.817 3.607 -12.642 1.00 0.00 H new ATOM 354 N CYS A 25 -0.142 -0.085 -4.244 1.00 0.00 N ATOM 355 CA CYS A 25 0.641 -0.717 -3.186 1.00 0.00 C ATOM 356 C CYS A 25 0.404 -2.225 -3.184 1.00 0.00 C ATOM 357 O CYS A 25 1.347 -3.000 -3.343 1.00 0.00 O ATOM 358 CB CYS A 25 0.305 -0.152 -1.794 1.00 0.00 C ATOM 359 SG CYS A 25 0.776 1.558 -1.449 1.00 0.00 S ATOM 0 H CYS A 25 -0.839 0.572 -3.892 1.00 0.00 H new ATOM 0 HA CYS A 25 1.689 -0.500 -3.394 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.771 -0.240 -1.647 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.782 -0.789 -1.049 1.00 0.00 H new ATOM 0 HG CYS A 25 0.025 2.363 -2.141 1.00 0.00 H new ATOM 364 N THR A 26 -0.840 -2.640 -2.954 1.00 0.00 N ATOM 365 CA THR A 26 -1.311 -4.000 -2.665 1.00 0.00 C ATOM 366 C THR A 26 -1.169 -4.943 -3.884 1.00 0.00 C ATOM 367 O THR A 26 -1.509 -6.124 -3.813 1.00 0.00 O ATOM 368 CB THR A 26 -2.714 -3.890 -2.045 1.00 0.00 C ATOM 369 OG1 THR A 26 -3.671 -3.316 -2.923 1.00 0.00 O ATOM 370 CG2 THR A 26 -2.665 -3.031 -0.772 1.00 0.00 C ATOM 0 H THR A 26 -1.615 -1.977 -2.965 1.00 0.00 H new ATOM 0 HA THR A 26 -0.677 -4.493 -1.928 1.00 0.00 H new ATOM 0 HB THR A 26 -3.024 -4.911 -1.824 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.549 -2.344 -2.949 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.664 -2.960 -0.342 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.991 -3.490 -0.049 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.306 -2.032 -1.020 1.00 0.00 H new ATOM 378 N ASN A 27 -0.609 -4.432 -4.992 1.00 0.00 N ATOM 379 CA ASN A 27 -0.530 -5.035 -6.321 1.00 0.00 C ATOM 380 C ASN A 27 -1.911 -5.416 -6.851 1.00 0.00 C ATOM 381 O ASN A 27 -2.048 -6.339 -7.657 1.00 0.00 O ATOM 382 CB ASN A 27 0.459 -6.210 -6.370 1.00 0.00 C ATOM 383 CG ASN A 27 1.048 -6.365 -7.770 1.00 0.00 C ATOM 384 OD1 ASN A 27 1.572 -5.416 -8.341 1.00 0.00 O ATOM 385 ND2 ASN A 27 1.014 -7.554 -8.339 1.00 0.00 N ATOM 0 H ASN A 27 -0.166 -3.513 -4.974 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.132 -4.274 -6.992 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.260 -6.047 -5.649 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.048 -7.130 -6.080 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.426 -7.690 -9.262 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.576 -8.338 -7.856 1.00 0.00 H new ATOM 392 N TYR A 28 -2.944 -4.697 -6.405 1.00 0.00 N ATOM 393 CA TYR A 28 -4.252 -4.701 -7.031 1.00 0.00 C ATOM 394 C TYR A 28 -4.062 -4.275 -8.490 1.00 0.00 C ATOM 395 O TYR A 28 -4.524 -4.961 -9.404 1.00 0.00 O ATOM 396 CB TYR A 28 -5.176 -3.757 -6.252 1.00 0.00 C ATOM 397 CG TYR A 28 -6.637 -3.873 -6.605 1.00 0.00 C ATOM 398 CD1 TYR A 28 -7.398 -4.934 -6.089 1.00 0.00 C ATOM 399 CD2 TYR A 28 -7.239 -2.921 -7.444 1.00 0.00 C ATOM 400 CE1 TYR A 28 -8.732 -5.111 -6.484 1.00 0.00 C ATOM 401 CE2 TYR A 28 -8.564 -3.095 -7.863 1.00 0.00 C ATOM 402 CZ TYR A 28 -9.307 -4.213 -7.409 1.00 0.00 C ATOM 403 OH TYR A 28 -10.584 -4.417 -7.834 1.00 0.00 O ATOM 0 H TYR A 28 -2.886 -4.090 -5.587 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.718 -5.686 -7.017 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.057 -3.952 -5.186 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.854 -2.730 -6.426 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.953 -5.619 -5.383 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.680 -2.055 -7.766 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.315 -5.928 -6.084 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.019 -2.378 -8.531 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.834 -3.712 -8.468 1.00 0.00 H new ATOM 413 N ILE A 29 -3.289 -3.199 -8.690 1.00 0.00 N ATOM 414 CA ILE A 29 -2.895 -2.639 -9.971 1.00 0.00 C ATOM 415 C ILE A 29 -1.389 -2.856 -10.076 1.00 0.00 C ATOM 416 O ILE A 29 -0.612 -2.307 -9.287 1.00 0.00 O ATOM 417 CB ILE A 29 -3.283 -1.149 -10.057 1.00 0.00 C ATOM 418 CG1 ILE A 29 -4.806 -0.966 -9.911 1.00 0.00 C ATOM 419 CG2 ILE A 29 -2.775 -0.504 -11.358 1.00 0.00 C ATOM 420 CD1 ILE A 29 -5.668 -1.346 -11.124 1.00 0.00 C ATOM 0 H ILE A 29 -2.903 -2.671 -7.907 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.406 -3.121 -10.804 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.797 -0.637 -9.226 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.139 -1.558 -9.059 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.001 0.079 -9.669 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.068 0.546 -11.382 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.688 -0.579 -11.401 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.208 -1.021 -12.214 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.719 -1.171 -10.893 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.379 -0.737 -11.981 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.519 -2.400 -11.360 1.00 0.00 H new ATOM 432 N VAL A 30 -0.979 -3.663 -11.045 1.00 0.00 N ATOM 433 CA VAL A 30 0.418 -3.865 -11.378 1.00 0.00 C ATOM 434 C VAL A 30 1.000 -2.539 -11.837 1.00 0.00 C ATOM 435 O VAL A 30 0.393 -1.812 -12.632 1.00 0.00 O ATOM 436 CB VAL A 30 0.554 -4.973 -12.425 1.00 0.00 C ATOM 437 CG1 VAL A 30 1.961 -5.092 -13.022 1.00 0.00 C ATOM 438 CG2 VAL A 30 0.227 -6.289 -11.722 1.00 0.00 C ATOM 0 H VAL A 30 -1.619 -4.202 -11.628 1.00 0.00 H new ATOM 0 HA VAL A 30 0.983 -4.197 -10.507 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.118 -4.738 -13.250 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.978 -5.898 -13.755 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.231 -4.154 -13.507 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.676 -5.308 -12.228 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.311 -7.112 -12.432 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.926 -6.446 -10.900 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.790 -6.250 -11.331 1.00 0.00 H new ATOM 448 N ASN A 31 2.186 -2.235 -11.319 1.00 0.00 N ATOM 449 CA ASN A 31 2.902 -1.006 -11.660 1.00 0.00 C ATOM 450 C ASN A 31 4.394 -1.185 -11.381 1.00 0.00 C ATOM 451 O ASN A 31 5.192 -1.165 -12.316 1.00 0.00 O ATOM 452 CB ASN A 31 2.284 0.215 -10.949 1.00 0.00 C ATOM 453 CG ASN A 31 2.422 0.196 -9.434 1.00 0.00 C ATOM 454 OD1 ASN A 31 3.188 0.977 -8.879 1.00 0.00 O ATOM 455 ND2 ASN A 31 1.710 -0.681 -8.740 1.00 0.00 N ATOM 0 H ASN A 31 2.678 -2.830 -10.653 1.00 0.00 H new ATOM 0 HA ASN A 31 2.797 -0.805 -12.726 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.754 1.120 -11.333 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.226 0.272 -11.205 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.793 -0.715 -7.724 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.079 -1.321 -9.222 1.00 0.00 H new ATOM 462 N SER A 32 4.766 -1.506 -10.145 1.00 0.00 N ATOM 463 CA SER A 32 6.143 -1.737 -9.724 1.00 0.00 C ATOM 464 C SER A 32 6.206 -3.027 -8.908 1.00 0.00 C ATOM 465 O SER A 32 5.187 -3.703 -8.742 1.00 0.00 O ATOM 466 CB SER A 32 6.589 -0.521 -8.907 1.00 0.00 C ATOM 467 OG SER A 32 6.710 0.624 -9.729 1.00 0.00 O ATOM 0 H SER A 32 4.095 -1.616 -9.385 1.00 0.00 H new ATOM 0 HA SER A 32 6.812 -1.855 -10.576 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.869 -0.328 -8.112 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.545 -0.731 -8.427 1.00 0.00 H new ATOM 0 HG SER A 32 6.994 1.388 -9.185 1.00 0.00 H new ATOM 473 N SER A 33 7.378 -3.369 -8.374 1.00 0.00 N ATOM 474 CA SER A 33 7.623 -4.495 -7.480 1.00 0.00 C ATOM 475 C SER A 33 6.929 -4.361 -6.119 1.00 0.00 C ATOM 476 O SER A 33 7.140 -5.230 -5.276 1.00 0.00 O ATOM 477 CB SER A 33 9.136 -4.708 -7.340 1.00 0.00 C ATOM 478 OG SER A 33 9.609 -5.348 -8.511 1.00 0.00 O ATOM 0 H SER A 33 8.227 -2.837 -8.565 1.00 0.00 H new ATOM 0 HA SER A 33 7.174 -5.381 -7.929 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.642 -3.753 -7.200 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.353 -5.316 -6.462 1.00 0.00 H new ATOM 0 HG SER A 33 10.576 -5.490 -8.438 1.00 0.00 H new ATOM 484 N CYS A 34 6.051 -3.359 -5.952 1.00 0.00 N ATOM 485 CA CYS A 34 4.994 -3.284 -4.942 1.00 0.00 C ATOM 486 C CYS A 34 5.457 -3.738 -3.540 1.00 0.00 C ATOM 487 O CYS A 34 6.593 -3.469 -3.136 1.00 0.00 O ATOM 488 CB CYS A 34 3.754 -4.005 -5.530 1.00 0.00 C ATOM 489 SG CYS A 34 4.047 -5.627 -6.298 1.00 0.00 S ATOM 0 H CYS A 34 6.064 -2.536 -6.554 1.00 0.00 H new ATOM 0 HA CYS A 34 4.711 -2.252 -4.736 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.023 -4.133 -4.732 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.301 -3.351 -6.275 1.00 0.00 H new ATOM 0 HG CYS A 34 3.484 -6.554 -5.582 1.00 0.00 H new ATOM 494 N GLY A 35 4.563 -4.349 -2.760 1.00 0.00 N ATOM 495 CA GLY A 35 4.901 -4.996 -1.505 1.00 0.00 C ATOM 496 C GLY A 35 4.972 -3.992 -0.362 1.00 0.00 C ATOM 497 O GLY A 35 4.464 -2.867 -0.477 1.00 0.00 O ATOM 0 H GLY A 35 3.571 -4.405 -2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.157 -5.759 -1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.860 -5.506 -1.603 1.00 0.00 H new ATOM 501 N GLU A 36 5.490 -4.430 0.781 1.00 0.00 N ATOM 502 CA GLU A 36 5.414 -3.739 2.067 1.00 0.00 C ATOM 503 C GLU A 36 6.070 -2.356 1.992 1.00 0.00 C ATOM 504 O GLU A 36 5.686 -1.447 2.724 1.00 0.00 O ATOM 505 CB GLU A 36 6.063 -4.602 3.148 1.00 0.00 C ATOM 506 CG GLU A 36 7.593 -4.649 3.047 1.00 0.00 C ATOM 507 CD GLU A 36 8.201 -5.663 4.005 1.00 0.00 C ATOM 508 OE1 GLU A 36 7.508 -6.589 4.455 1.00 0.00 O ATOM 509 OE2 GLU A 36 9.362 -5.436 4.424 1.00 0.00 O ATOM 0 H GLU A 36 5.996 -5.314 0.841 1.00 0.00 H new ATOM 0 HA GLU A 36 4.366 -3.583 2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.782 -4.217 4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.670 -5.616 3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.881 -4.899 2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.000 -3.661 3.260 1.00 0.00 H new ATOM 516 N ILE A 37 7.040 -2.207 1.087 1.00 0.00 N ATOM 517 CA ILE A 37 7.753 -0.982 0.766 1.00 0.00 C ATOM 518 C ILE A 37 6.761 0.071 0.302 1.00 0.00 C ATOM 519 O ILE A 37 6.710 1.153 0.874 1.00 0.00 O ATOM 520 CB ILE A 37 8.829 -1.277 -0.289 1.00 0.00 C ATOM 521 CG1 ILE A 37 9.859 -2.204 0.396 1.00 0.00 C ATOM 522 CG2 ILE A 37 9.422 0.044 -0.832 1.00 0.00 C ATOM 523 CD1 ILE A 37 11.057 -2.520 -0.477 1.00 0.00 C ATOM 0 H ILE A 37 7.365 -2.994 0.526 1.00 0.00 H new ATOM 0 HA ILE A 37 8.259 -0.591 1.648 1.00 0.00 H new ATOM 0 HB ILE A 37 8.434 -1.782 -1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.204 -1.734 1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.368 -3.135 0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.184 -0.179 -1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.630 0.638 -1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.871 0.605 -0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.740 -3.175 0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.723 -3.018 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.571 -1.595 -0.738 1.00 0.00 H new ATOM 535 N CYS A 38 5.964 -0.247 -0.719 1.00 0.00 N ATOM 536 CA CYS A 38 5.046 0.717 -1.292 1.00 0.00 C ATOM 537 C CYS A 38 4.016 1.156 -0.252 1.00 0.00 C ATOM 538 O CYS A 38 3.666 2.335 -0.198 1.00 0.00 O ATOM 539 CB CYS A 38 4.394 0.121 -2.538 1.00 0.00 C ATOM 540 SG CYS A 38 3.554 1.395 -3.511 1.00 0.00 S ATOM 0 H CYS A 38 5.941 -1.166 -1.161 1.00 0.00 H new ATOM 0 HA CYS A 38 5.590 1.611 -1.595 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.152 -0.367 -3.150 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.678 -0.647 -2.245 1.00 0.00 H new ATOM 0 HG CYS A 38 2.414 1.683 -2.957 1.00 0.00 H new ATOM 545 N CYS A 39 3.568 0.228 0.607 1.00 0.00 N ATOM 546 CA CYS A 39 2.813 0.570 1.795 1.00 0.00 C ATOM 547 C CYS A 39 3.595 1.593 2.600 1.00 0.00 C ATOM 548 O CYS A 39 3.124 2.708 2.745 1.00 0.00 O ATOM 549 CB CYS A 39 2.534 -0.663 2.647 1.00 0.00 C ATOM 550 SG CYS A 39 1.871 -2.102 1.806 1.00 0.00 S ATOM 0 H CYS A 39 3.724 -0.773 0.488 1.00 0.00 H new ATOM 0 HA CYS A 39 1.853 0.988 1.492 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.464 -0.955 3.135 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.836 -0.379 3.435 1.00 0.00 H new ATOM 0 HG CYS A 39 0.620 -1.898 1.519 1.00 0.00 H new ATOM 555 N ASN A 40 4.787 1.233 3.080 1.00 0.00 N ATOM 556 CA ASN A 40 5.621 2.060 3.947 1.00 0.00 C ATOM 557 C ASN A 40 5.875 3.449 3.371 1.00 0.00 C ATOM 558 O ASN A 40 6.167 4.379 4.122 1.00 0.00 O ATOM 559 CB ASN A 40 6.985 1.384 4.153 1.00 0.00 C ATOM 560 CG ASN A 40 7.118 0.780 5.528 1.00 0.00 C ATOM 561 OD1 ASN A 40 7.950 1.192 6.331 1.00 0.00 O ATOM 562 ND2 ASN A 40 6.322 -0.231 5.823 1.00 0.00 N ATOM 0 H ASN A 40 5.209 0.329 2.868 1.00 0.00 H new ATOM 0 HA ASN A 40 5.079 2.167 4.887 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.121 0.606 3.401 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.778 2.116 4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.391 -0.686 6.733 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.638 -0.557 5.141 1.00 0.00 H new ATOM 569 N ASP A 41 5.835 3.586 2.050 1.00 0.00 N ATOM 570 CA ASP A 41 6.162 4.816 1.360 1.00 0.00 C ATOM 571 C ASP A 41 4.946 5.716 1.188 1.00 0.00 C ATOM 572 O ASP A 41 5.110 6.930 1.275 1.00 0.00 O ATOM 573 CB ASP A 41 6.884 4.514 0.039 1.00 0.00 C ATOM 574 CG ASP A 41 8.390 4.290 0.208 1.00 0.00 C ATOM 575 OD1 ASP A 41 8.967 4.684 1.252 1.00 0.00 O ATOM 576 OD2 ASP A 41 9.001 3.771 -0.750 1.00 0.00 O ATOM 0 H ASP A 41 5.569 2.827 1.422 1.00 0.00 H new ATOM 0 HA ASP A 41 6.855 5.385 1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.441 3.628 -0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.722 5.341 -0.653 1.00 0.00 H new ATOM 581 N CYS A 42 3.735 5.171 1.020 1.00 0.00 N ATOM 582 CA CYS A 42 2.500 5.964 1.006 1.00 0.00 C ATOM 583 C CYS A 42 1.860 6.083 2.396 1.00 0.00 C ATOM 584 O CYS A 42 1.025 6.958 2.616 1.00 0.00 O ATOM 585 CB CYS A 42 1.481 5.365 0.024 1.00 0.00 C ATOM 586 SG CYS A 42 1.273 6.318 -1.503 1.00 0.00 S ATOM 0 H CYS A 42 3.584 4.171 0.890 1.00 0.00 H new ATOM 0 HA CYS A 42 2.780 6.966 0.681 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.792 4.352 -0.232 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.516 5.285 0.524 1.00 0.00 H new ATOM 0 HG CYS A 42 0.792 5.548 -2.433 1.00 0.00 H new ATOM 591 N PHE A 43 2.210 5.202 3.326 1.00 0.00 N ATOM 592 CA PHE A 43 1.510 4.982 4.575 1.00 0.00 C ATOM 593 C PHE A 43 2.528 4.944 5.719 1.00 0.00 C ATOM 594 O PHE A 43 3.654 4.460 5.586 1.00 0.00 O ATOM 595 CB PHE A 43 0.703 3.662 4.501 1.00 0.00 C ATOM 596 CG PHE A 43 -0.473 3.616 3.536 1.00 0.00 C ATOM 597 CD1 PHE A 43 -1.731 4.056 3.978 1.00 0.00 C ATOM 598 CD2 PHE A 43 -0.354 3.077 2.236 1.00 0.00 C ATOM 599 CE1 PHE A 43 -2.855 3.971 3.140 1.00 0.00 C ATOM 600 CE2 PHE A 43 -1.481 2.977 1.401 1.00 0.00 C ATOM 601 CZ PHE A 43 -2.734 3.412 1.857 1.00 0.00 C ATOM 0 H PHE A 43 3.025 4.598 3.220 1.00 0.00 H new ATOM 0 HA PHE A 43 0.807 5.795 4.758 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.391 2.861 4.232 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.328 3.439 5.500 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.835 4.464 4.973 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.609 2.740 1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.812 4.335 3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.382 2.565 0.408 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.603 3.317 1.223 1.00 0.00 H new ATOM 611 N ASP A 44 2.081 5.384 6.891 1.00 0.00 N ATOM 612 CA ASP A 44 2.638 5.080 8.209 1.00 0.00 C ATOM 613 C ASP A 44 2.634 3.555 8.455 1.00 0.00 C ATOM 614 O ASP A 44 2.153 2.780 7.623 1.00 0.00 O ATOM 615 CB ASP A 44 1.909 5.828 9.363 1.00 0.00 C ATOM 616 CG ASP A 44 0.632 6.647 9.111 1.00 0.00 C ATOM 617 OD1 ASP A 44 -0.067 6.454 8.090 1.00 0.00 O ATOM 618 OD2 ASP A 44 0.263 7.382 10.052 1.00 0.00 O ATOM 0 H ASP A 44 1.271 6.000 6.952 1.00 0.00 H new ATOM 0 HA ASP A 44 3.667 5.441 8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.662 5.081 10.118 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.636 6.505 9.810 1.00 0.00 H new ATOM 623 N GLU A 45 3.117 3.103 9.614 1.00 0.00 N ATOM 624 CA GLU A 45 3.183 1.694 9.993 1.00 0.00 C ATOM 625 C GLU A 45 1.787 1.078 10.121 1.00 0.00 C ATOM 626 O GLU A 45 1.562 -0.067 9.731 1.00 0.00 O ATOM 627 CB GLU A 45 3.879 1.558 11.345 1.00 0.00 C ATOM 628 CG GLU A 45 5.370 1.907 11.365 1.00 0.00 C ATOM 629 CD GLU A 45 5.865 1.867 12.809 1.00 0.00 C ATOM 630 OE1 GLU A 45 5.657 2.843 13.560 1.00 0.00 O ATOM 631 OE2 GLU A 45 6.350 0.822 13.307 1.00 0.00 O ATOM 0 H GLU A 45 3.483 3.726 10.334 1.00 0.00 H new ATOM 0 HA GLU A 45 3.735 1.172 9.211 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.366 2.198 12.063 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.761 0.531 11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.931 1.200 10.754 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.532 2.897 10.938 1.00 0.00 H new ATOM 638 N THR A 46 0.845 1.807 10.718 1.00 0.00 N ATOM 639 CA THR A 46 -0.394 1.199 11.185 1.00 0.00 C ATOM 640 C THR A 46 -1.296 0.852 9.995 1.00 0.00 C ATOM 641 O THR A 46 -1.739 -0.292 9.871 1.00 0.00 O ATOM 642 CB THR A 46 -1.046 2.132 12.215 1.00 0.00 C ATOM 643 OG1 THR A 46 -0.066 2.520 13.167 1.00 0.00 O ATOM 644 CG2 THR A 46 -2.210 1.472 12.958 1.00 0.00 C ATOM 0 H THR A 46 0.917 2.810 10.887 1.00 0.00 H new ATOM 0 HA THR A 46 -0.201 0.252 11.690 1.00 0.00 H new ATOM 0 HB THR A 46 -1.443 2.990 11.672 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.472 3.118 13.829 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.632 2.178 13.673 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.978 1.177 12.243 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.850 0.590 13.488 1.00 0.00 H new ATOM 652 N GLY A 47 -1.506 1.798 9.081 1.00 0.00 N ATOM 653 CA GLY A 47 -2.173 1.579 7.803 1.00 0.00 C ATOM 654 C GLY A 47 -1.351 0.622 6.934 1.00 0.00 C ATOM 655 O GLY A 47 -1.935 -0.226 6.252 1.00 0.00 O ATOM 0 H GLY A 47 -1.208 2.764 9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.168 1.166 7.970 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.305 2.529 7.286 1.00 0.00 H new ATOM 659 N THR A 48 -0.007 0.680 7.000 1.00 0.00 N ATOM 660 CA THR A 48 0.832 -0.340 6.380 1.00 0.00 C ATOM 661 C THR A 48 0.393 -1.724 6.832 1.00 0.00 C ATOM 662 O THR A 48 0.238 -2.565 5.960 1.00 0.00 O ATOM 663 CB THR A 48 2.348 -0.120 6.571 1.00 0.00 C ATOM 664 OG1 THR A 48 2.787 0.915 5.723 1.00 0.00 O ATOM 665 CG2 THR A 48 3.174 -1.371 6.250 1.00 0.00 C ATOM 0 H THR A 48 0.509 1.420 7.475 1.00 0.00 H new ATOM 0 HA THR A 48 0.682 -0.253 5.304 1.00 0.00 H new ATOM 0 HB THR A 48 2.496 0.131 7.621 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.655 1.779 6.166 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.232 -1.157 6.402 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.870 -2.186 6.907 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.008 -1.660 5.212 1.00 0.00 H new ATOM 673 N GLY A 49 0.177 -2.004 8.119 1.00 0.00 N ATOM 674 CA GLY A 49 -0.106 -3.370 8.549 1.00 0.00 C ATOM 675 C GLY A 49 -1.308 -3.984 7.820 1.00 0.00 C ATOM 676 O GLY A 49 -1.273 -5.142 7.392 1.00 0.00 O ATOM 0 H GLY A 49 0.193 -1.313 8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.774 -3.990 8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.295 -3.377 9.622 1.00 0.00 H new ATOM 680 N ALA A 50 -2.343 -3.178 7.588 1.00 0.00 N ATOM 681 CA ALA A 50 -3.498 -3.543 6.781 1.00 0.00 C ATOM 682 C ALA A 50 -3.127 -3.786 5.324 1.00 0.00 C ATOM 683 O ALA A 50 -3.560 -4.781 4.737 1.00 0.00 O ATOM 684 CB ALA A 50 -4.516 -2.402 6.886 1.00 0.00 C ATOM 0 H ALA A 50 -2.400 -2.232 7.966 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.915 -4.478 7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.397 -2.644 6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.807 -2.269 7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.069 -1.480 6.514 1.00 0.00 H new ATOM 690 N CYS A 51 -2.356 -2.870 4.750 1.00 0.00 N ATOM 691 CA CYS A 51 -1.951 -2.854 3.365 1.00 0.00 C ATOM 692 C CYS A 51 -1.015 -4.031 3.088 1.00 0.00 C ATOM 693 O CYS A 51 -1.077 -4.641 2.022 1.00 0.00 O ATOM 694 CB CYS A 51 -1.331 -1.474 3.114 1.00 0.00 C ATOM 695 SG CYS A 51 -1.201 -0.920 1.400 1.00 0.00 S ATOM 0 H CYS A 51 -1.981 -2.079 5.274 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.781 -2.988 2.671 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.917 -0.737 3.663 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.330 -1.471 3.546 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.372 -0.550 0.974 1.00 0.00 H new ATOM 700 N ARG A 52 -0.204 -4.432 4.078 1.00 0.00 N ATOM 701 CA ARG A 52 0.638 -5.601 3.975 1.00 0.00 C ATOM 702 C ARG A 52 -0.205 -6.836 3.795 1.00 0.00 C ATOM 703 O ARG A 52 0.094 -7.571 2.870 1.00 0.00 O ATOM 704 CB ARG A 52 1.650 -5.781 5.103 1.00 0.00 C ATOM 705 CG ARG A 52 2.743 -4.716 5.112 1.00 0.00 C ATOM 706 CD ARG A 52 3.769 -4.901 6.236 1.00 0.00 C ATOM 707 NE ARG A 52 4.752 -5.970 5.971 1.00 0.00 N ATOM 708 CZ ARG A 52 5.365 -6.711 6.910 1.00 0.00 C ATOM 709 NH1 ARG A 52 5.052 -6.581 8.196 1.00 0.00 N ATOM 710 NH2 ARG A 52 6.295 -7.590 6.577 1.00 0.00 N ATOM 0 H ARG A 52 -0.124 -3.943 4.970 1.00 0.00 H new ATOM 0 HA ARG A 52 1.252 -5.436 3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.126 -5.761 6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.112 -6.764 5.013 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.260 -4.730 4.153 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.281 -3.734 5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.300 -3.961 6.390 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.242 -5.125 7.164 1.00 0.00 H new ATOM 0 HE ARG A 52 4.985 -6.162 4.997 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.338 -5.912 8.482 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.526 -7.151 8.896 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.555 -7.712 5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.753 -8.146 7.299 1.00 0.00 H new ATOM 724 N ALA A 53 -1.256 -7.057 4.594 1.00 0.00 N ATOM 725 CA ALA A 53 -2.125 -8.221 4.386 1.00 0.00 C ATOM 726 C ALA A 53 -2.609 -8.268 2.938 1.00 0.00 C ATOM 727 O ALA A 53 -2.537 -9.310 2.284 1.00 0.00 O ATOM 728 CB ALA A 53 -3.335 -8.208 5.324 1.00 0.00 C ATOM 0 H ALA A 53 -1.522 -6.458 5.376 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.532 -9.108 4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.951 -9.087 5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.993 -8.219 6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.924 -7.308 5.146 1.00 0.00 H new ATOM 734 N GLN A 54 -3.050 -7.115 2.433 1.00 0.00 N ATOM 735 CA GLN A 54 -3.523 -6.992 1.058 1.00 0.00 C ATOM 736 C GLN A 54 -2.444 -7.170 -0.027 1.00 0.00 C ATOM 737 O GLN A 54 -2.775 -7.269 -1.207 1.00 0.00 O ATOM 738 CB GLN A 54 -4.209 -5.642 0.889 1.00 0.00 C ATOM 739 CG GLN A 54 -5.180 -5.606 -0.295 1.00 0.00 C ATOM 740 CD GLN A 54 -6.428 -6.478 -0.118 1.00 0.00 C ATOM 741 OE1 GLN A 54 -6.646 -7.120 0.909 1.00 0.00 O ATOM 742 NE2 GLN A 54 -7.257 -6.540 -1.140 1.00 0.00 N ATOM 0 H GLN A 54 -3.088 -6.245 2.965 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.216 -7.820 0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.751 -5.399 1.803 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.451 -4.870 0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.493 -4.575 -0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.651 -5.928 -1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.065 -6.003 -1.986 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.091 -7.125 -1.086 1.00 0.00 H new ATOM 751 N ALA A 55 -1.165 -7.264 0.307 1.00 0.00 N ATOM 752 CA ALA A 55 -0.167 -7.772 -0.624 1.00 0.00 C ATOM 753 C ALA A 55 0.099 -9.234 -0.286 1.00 0.00 C ATOM 754 O ALA A 55 -0.105 -10.096 -1.136 1.00 0.00 O ATOM 755 CB ALA A 55 1.080 -6.903 -0.538 1.00 0.00 C ATOM 0 H ALA A 55 -0.793 -6.995 1.218 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.514 -7.727 -1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.833 -7.277 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.826 -5.875 -0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.476 -6.934 0.477 1.00 0.00 H new ATOM 761 N PHE A 56 0.485 -9.481 0.967 1.00 0.00 N ATOM 762 CA PHE A 56 0.907 -10.725 1.579 1.00 0.00 C ATOM 763 C PHE A 56 0.006 -11.879 1.129 1.00 0.00 C ATOM 764 O PHE A 56 0.433 -12.738 0.357 1.00 0.00 O ATOM 765 CB PHE A 56 0.928 -10.536 3.112 1.00 0.00 C ATOM 766 CG PHE A 56 1.637 -11.625 3.904 1.00 0.00 C ATOM 767 CD1 PHE A 56 2.901 -12.129 3.519 1.00 0.00 C ATOM 768 CD2 PHE A 56 1.039 -12.093 5.091 1.00 0.00 C ATOM 769 CE1 PHE A 56 3.556 -13.075 4.330 1.00 0.00 C ATOM 770 CE2 PHE A 56 1.709 -13.019 5.906 1.00 0.00 C ATOM 771 CZ PHE A 56 2.975 -13.501 5.535 1.00 0.00 C ATOM 0 H PHE A 56 0.509 -8.722 1.648 1.00 0.00 H new ATOM 0 HA PHE A 56 1.914 -10.989 1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.405 -9.582 3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.101 -10.468 3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.363 -11.789 2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.060 -11.737 5.375 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.511 -13.475 4.023 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.250 -13.362 6.821 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.499 -14.196 6.174 1.00 0.00 H new ATOM 781 N GLY A 57 -1.256 -11.875 1.556 1.00 0.00 N ATOM 782 CA GLY A 57 -2.164 -12.993 1.308 1.00 0.00 C ATOM 783 C GLY A 57 -3.016 -12.852 0.050 1.00 0.00 C ATOM 784 O GLY A 57 -3.628 -13.833 -0.374 1.00 0.00 O ATOM 0 H GLY A 57 -1.674 -11.105 2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.579 -13.910 1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.825 -13.105 2.168 1.00 0.00 H new ATOM 788 N ASN A 58 -3.100 -11.646 -0.519 1.00 0.00 N ATOM 789 CA ASN A 58 -4.194 -11.261 -1.409 1.00 0.00 C ATOM 790 C ASN A 58 -3.846 -11.427 -2.897 1.00 0.00 C ATOM 791 O ASN A 58 -4.421 -12.310 -3.540 1.00 0.00 O ATOM 792 CB ASN A 58 -4.648 -9.841 -1.058 1.00 0.00 C ATOM 793 CG ASN A 58 -5.476 -9.217 -2.172 1.00 0.00 C ATOM 794 OD1 ASN A 58 -6.546 -9.719 -2.493 1.00 0.00 O ATOM 795 ND2 ASN A 58 -4.997 -8.147 -2.782 1.00 0.00 N ATOM 0 H ASN A 58 -2.409 -10.910 -0.374 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.028 -11.944 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.234 -9.864 -0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.775 -9.219 -0.863 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.522 -7.716 -3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.103 -7.752 -2.492 1.00 0.00 H new ATOM 802 N SER A 59 -2.967 -10.580 -3.460 1.00 0.00 N ATOM 803 CA SER A 59 -2.568 -10.672 -4.872 1.00 0.00 C ATOM 804 C SER A 59 -1.061 -10.690 -5.109 1.00 0.00 C ATOM 805 O SER A 59 -0.593 -11.364 -6.030 1.00 0.00 O ATOM 806 CB SER A 59 -3.152 -9.491 -5.650 1.00 0.00 C ATOM 807 OG SER A 59 -4.450 -9.811 -6.092 1.00 0.00 O ATOM 0 H SER A 59 -2.517 -9.818 -2.952 1.00 0.00 H new ATOM 0 HA SER A 59 -2.958 -11.630 -5.217 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.181 -8.604 -5.017 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.515 -9.253 -6.502 1.00 0.00 H new ATOM 0 HG SER A 59 -4.823 -9.053 -6.588 1.00 0.00 H new ATOM 813 N CYS A 60 -0.303 -9.896 -4.360 1.00 0.00 N ATOM 814 CA CYS A 60 1.113 -9.691 -4.605 1.00 0.00 C ATOM 815 C CYS A 60 1.865 -10.993 -4.275 1.00 0.00 C ATOM 816 O CYS A 60 1.686 -11.556 -3.190 1.00 0.00 O ATOM 817 CB CYS A 60 1.534 -8.496 -3.747 1.00 0.00 C ATOM 818 SG CYS A 60 3.183 -7.842 -4.008 1.00 0.00 S ATOM 0 H CYS A 60 -0.661 -9.374 -3.560 1.00 0.00 H new ATOM 0 HA CYS A 60 1.346 -9.464 -5.645 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.820 -7.690 -3.916 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.447 -8.784 -2.699 1.00 0.00 H new ATOM 0 HG CYS A 60 4.049 -8.591 -3.392 1.00 0.00 H new ATOM 823 N LEU A 61 2.675 -11.485 -5.222 1.00 0.00 N ATOM 824 CA LEU A 61 3.393 -12.760 -5.191 1.00 0.00 C ATOM 825 C LEU A 61 4.122 -12.944 -3.863 1.00 0.00 C ATOM 826 O LEU A 61 3.915 -13.944 -3.176 1.00 0.00 O ATOM 827 CB LEU A 61 4.366 -12.793 -6.391 1.00 0.00 C ATOM 828 CG LEU A 61 5.051 -14.127 -6.723 1.00 0.00 C ATOM 829 CD1 LEU A 61 6.042 -14.587 -5.656 1.00 0.00 C ATOM 830 CD2 LEU A 61 4.017 -15.214 -7.008 1.00 0.00 C ATOM 0 H LEU A 61 2.856 -10.969 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 61 2.691 -13.590 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.817 -12.469 -7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.145 -12.053 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 61 5.638 -13.948 -7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.487 -15.535 -5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.826 -13.839 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.521 -14.716 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.527 -16.149 -7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.385 -15.354 -6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.400 -14.916 -7.856 1.00 0.00 H new ATOM 842 N ASN A 62 4.930 -11.951 -3.499 1.00 0.00 N ATOM 843 CA ASN A 62 5.545 -11.766 -2.194 1.00 0.00 C ATOM 844 C ASN A 62 5.340 -10.302 -1.831 1.00 0.00 C ATOM 845 O ASN A 62 5.467 -9.442 -2.707 1.00 0.00 O ATOM 846 CB ASN A 62 7.046 -12.074 -2.238 1.00 0.00 C ATOM 847 CG ASN A 62 7.379 -13.552 -2.339 1.00 0.00 C ATOM 848 OD1 ASN A 62 6.675 -14.412 -1.818 1.00 0.00 O ATOM 849 ND2 ASN A 62 8.464 -13.892 -3.016 1.00 0.00 N ATOM 0 H ASN A 62 5.186 -11.210 -4.151 1.00 0.00 H new ATOM 0 HA ASN A 62 5.097 -12.439 -1.463 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.486 -11.556 -3.090 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.514 -11.669 -1.341 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.721 -14.875 -3.108 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.044 -13.171 -3.446 1.00 0.00 H new ATOM 856 N TRP A 63 5.028 -10.015 -0.570 1.00 0.00 N ATOM 857 CA TRP A 63 5.092 -8.663 -0.026 1.00 0.00 C ATOM 858 C TRP A 63 6.519 -8.123 -0.039 1.00 0.00 C ATOM 859 O TRP A 63 7.453 -8.915 -0.317 1.00 0.00 O ATOM 860 CB TRP A 63 4.479 -8.649 1.380 1.00 0.00 C ATOM 861 CG TRP A 63 5.073 -9.505 2.474 1.00 0.00 C ATOM 862 CD1 TRP A 63 6.060 -10.425 2.392 1.00 0.00 C ATOM 863 CD2 TRP A 63 4.668 -9.525 3.868 1.00 0.00 C ATOM 864 NE1 TRP A 63 6.322 -10.958 3.644 1.00 0.00 N ATOM 865 CE2 TRP A 63 5.481 -10.430 4.601 1.00 0.00 C ATOM 866 CE3 TRP A 63 3.638 -8.883 4.563 1.00 0.00 C ATOM 867 CZ2 TRP A 63 5.299 -10.649 5.978 1.00 0.00 C ATOM 868 CZ3 TRP A 63 3.428 -9.087 5.939 1.00 0.00 C ATOM 869 CH2 TRP A 63 4.268 -9.966 6.651 1.00 0.00 C ATOM 0 H TRP A 63 4.723 -10.716 0.105 1.00 0.00 H new ATOM 0 HA TRP A 63 4.509 -7.995 -0.660 1.00 0.00 H new ATOM 0 HB2 TRP A 63 4.497 -7.617 1.731 1.00 0.00 H new ATOM 0 HB3 TRP A 63 3.432 -8.933 1.279 1.00 0.00 H new ATOM 0 HD1 TRP A 63 6.571 -10.704 1.482 1.00 0.00 H new ATOM 0 HE1 TRP A 63 7.045 -11.652 3.834 1.00 0.00 H new ATOM 0 HE3 TRP A 63 2.984 -8.211 4.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.942 -11.332 6.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.626 -8.572 6.447 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.121 -10.116 7.711 1.00 0.00 H new