USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 579 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 70 TYR OH : rot 146:sc= -0.682 USER MOD Set 1.2: A 85 SER OG : rot 87:sc= -0.389! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -4.92! K(o=-4.9!,f=-2.9) USER MOD Single : A 23 THR OG1 : rot 180:sc= -3.22! USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= -0.0947 (180deg=-0.42) USER MOD Single : A 35 TYR OH : rot -150:sc= -5.63! USER MOD Single : A 37 SER OG : rot -133:sc= 0.0651 USER MOD Single : A 40 MET CE :methyl -171:sc= -4.19! (180deg=-4.4!) USER MOD Single : A 41 MET CE :methyl -177:sc= 0 (180deg=-0.00988) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= -2.67! (180deg=-3.11!) USER MOD Single : A 44 ASN : amide:sc= -1.2! X(o=-1.2!,f=-0.72) USER MOD Single : A 46 MET CE :methyl 153:sc= -0.141 (180deg=-0.645) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 64 HIS : no HD1:sc= -12.7! C(o=-13!,f=-16!) USER MOD Single : A 65 ASN : amide:sc= -5.16! C(o=-5.2!,f=-4.1!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -8.84! C(o=-8.8!,f=-9!) USER MOD Single : A 79 GLN : amide:sc= -6.52! C(o=-6.5!,f=-2.3!) USER MOD Single : A 81 SER OG : rot 110:sc= -8.43! USER MOD Single : A 83 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 4 -5.393 25.268 -11.205 1.00 0.00 N ATOM 16 CA ASP A 4 -4.155 24.499 -11.256 1.00 0.00 C ATOM 17 C ASP A 4 -3.179 24.968 -10.183 1.00 0.00 C ATOM 18 O ASP A 4 -2.184 25.629 -10.479 1.00 0.00 O ATOM 19 CB ASP A 4 -3.511 24.622 -12.637 1.00 0.00 C ATOM 20 CG ASP A 4 -2.284 23.742 -12.784 1.00 0.00 C ATOM 21 OD1 ASP A 4 -2.404 22.516 -12.575 1.00 0.00 O ATOM 22 OD2 ASP A 4 -1.204 24.279 -13.107 1.00 0.00 O ATOM 0 HA ASP A 4 -4.398 23.453 -11.068 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.241 24.353 -13.400 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.233 25.661 -12.814 1.00 0.00 H new ATOM 27 N ILE A 5 -3.470 24.619 -8.934 1.00 0.00 N ATOM 28 CA ILE A 5 -2.619 25.001 -7.815 1.00 0.00 C ATOM 29 C ILE A 5 -1.549 23.943 -7.562 1.00 0.00 C ATOM 30 O ILE A 5 -1.641 22.824 -8.064 1.00 0.00 O ATOM 31 CB ILE A 5 -3.458 25.237 -6.532 1.00 0.00 C ATOM 32 CG1 ILE A 5 -2.920 26.449 -5.776 1.00 0.00 C ATOM 33 CG2 ILE A 5 -3.478 24.004 -5.634 1.00 0.00 C ATOM 34 CD1 ILE A 5 -2.796 27.681 -6.643 1.00 0.00 C ATOM 0 H ILE A 5 -4.290 24.072 -8.672 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.125 25.937 -8.077 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.488 25.432 -6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.579 26.668 -4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.943 26.205 -5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.076 24.210 -4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.913 23.165 -6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.460 23.755 -5.336 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.408 28.508 -6.047 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.114 27.478 -7.469 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.776 27.947 -7.039 1.00 0.00 H new ATOM 46 N ASP A 6 -0.533 24.300 -6.783 1.00 0.00 N ATOM 47 CA ASP A 6 0.544 23.368 -6.478 1.00 0.00 C ATOM 48 C ASP A 6 0.111 22.357 -5.425 1.00 0.00 C ATOM 49 O ASP A 6 0.249 22.593 -4.225 1.00 0.00 O ATOM 50 CB ASP A 6 1.789 24.110 -6.001 1.00 0.00 C ATOM 51 CG ASP A 6 3.049 23.291 -6.202 1.00 0.00 C ATOM 52 OD1 ASP A 6 2.961 22.045 -6.142 1.00 0.00 O ATOM 53 OD2 ASP A 6 4.122 23.893 -6.419 1.00 0.00 O ATOM 0 H ASP A 6 -0.434 25.221 -6.355 1.00 0.00 H new ATOM 0 HA ASP A 6 0.784 22.834 -7.397 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.879 25.052 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.682 24.357 -4.945 1.00 0.00 H new ATOM 58 N GLU A 7 -0.403 21.224 -5.888 1.00 0.00 N ATOM 59 CA GLU A 7 -0.847 20.164 -4.995 1.00 0.00 C ATOM 60 C GLU A 7 0.355 19.447 -4.397 1.00 0.00 C ATOM 61 O GLU A 7 0.239 18.749 -3.390 1.00 0.00 O ATOM 62 CB GLU A 7 -1.723 19.166 -5.756 1.00 0.00 C ATOM 63 CG GLU A 7 -2.914 19.802 -6.459 1.00 0.00 C ATOM 64 CD GLU A 7 -2.562 20.348 -7.828 1.00 0.00 C ATOM 65 OE1 GLU A 7 -1.542 19.908 -8.398 1.00 0.00 O ATOM 66 OE2 GLU A 7 -3.308 21.213 -8.332 1.00 0.00 O ATOM 0 H GLU A 7 -0.522 21.017 -6.880 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.433 20.607 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.110 18.650 -6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.086 18.411 -5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.708 19.062 -6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.307 20.609 -5.841 1.00 0.00 H new ATOM 73 N CYS A 8 1.514 19.633 -5.024 1.00 0.00 N ATOM 74 CA CYS A 8 2.741 19.011 -4.550 1.00 0.00 C ATOM 75 C CYS A 8 3.366 19.851 -3.448 1.00 0.00 C ATOM 76 O CYS A 8 4.053 19.329 -2.569 1.00 0.00 O ATOM 77 CB CYS A 8 3.726 18.821 -5.708 1.00 0.00 C ATOM 78 SG CYS A 8 3.300 17.444 -6.823 1.00 0.00 S ATOM 0 H CYS A 8 1.626 20.208 -5.859 1.00 0.00 H new ATOM 0 HA CYS A 8 2.499 18.030 -4.141 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.773 19.743 -6.287 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.722 18.650 -5.300 1.00 0.00 H new ATOM 83 N ARG A 9 3.105 21.153 -3.486 1.00 0.00 N ATOM 84 CA ARG A 9 3.625 22.055 -2.471 1.00 0.00 C ATOM 85 C ARG A 9 3.007 21.711 -1.125 1.00 0.00 C ATOM 86 O ARG A 9 3.640 21.865 -0.080 1.00 0.00 O ATOM 87 CB ARG A 9 3.324 23.510 -2.833 1.00 0.00 C ATOM 88 CG ARG A 9 4.349 24.494 -2.293 1.00 0.00 C ATOM 89 CD ARG A 9 3.772 25.340 -1.170 1.00 0.00 C ATOM 90 NE ARG A 9 4.760 26.259 -0.614 1.00 0.00 N ATOM 91 CZ ARG A 9 5.256 27.297 -1.278 1.00 0.00 C ATOM 92 NH1 ARG A 9 4.857 27.545 -2.518 1.00 0.00 N ATOM 93 NH2 ARG A 9 6.153 28.088 -0.705 1.00 0.00 N ATOM 0 H ARG A 9 2.539 21.603 -4.205 1.00 0.00 H new ATOM 0 HA ARG A 9 4.707 21.937 -2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.278 23.604 -3.918 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.339 23.776 -2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.221 23.950 -1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.692 25.143 -3.099 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.920 25.907 -1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.399 24.688 -0.380 1.00 0.00 H new ATOM 0 HE ARG A 9 5.088 26.095 0.338 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.168 26.938 -2.963 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.239 28.342 -3.027 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.464 27.900 0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.532 28.884 -1.217 1.00 0.00 H new ATOM 107 N ILE A 10 1.768 21.225 -1.162 1.00 0.00 N ATOM 108 CA ILE A 10 1.068 20.839 0.053 1.00 0.00 C ATOM 109 C ILE A 10 1.978 20.009 0.945 1.00 0.00 C ATOM 110 O ILE A 10 2.038 20.211 2.158 1.00 0.00 O ATOM 111 CB ILE A 10 -0.198 20.025 -0.274 1.00 0.00 C ATOM 112 CG1 ILE A 10 -1.278 20.940 -0.851 1.00 0.00 C ATOM 113 CG2 ILE A 10 -0.709 19.300 0.965 1.00 0.00 C ATOM 114 CD1 ILE A 10 -1.928 21.835 0.180 1.00 0.00 C ATOM 0 H ILE A 10 1.232 21.091 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 10 0.777 21.752 0.573 1.00 0.00 H new ATOM 0 HB ILE A 10 0.056 19.274 -1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.838 21.560 -1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.046 20.328 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.604 18.732 0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.060 18.621 1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.950 20.028 1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.684 22.456 -0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.398 21.222 0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.171 22.473 0.637 1.00 0.00 H new ATOM 126 N SER A 11 2.685 19.073 0.328 1.00 0.00 N ATOM 127 CA SER A 11 3.598 18.201 1.048 1.00 0.00 C ATOM 128 C SER A 11 4.672 17.658 0.111 1.00 0.00 C ATOM 129 O SER A 11 4.413 17.419 -1.069 1.00 0.00 O ATOM 130 CB SER A 11 2.827 17.044 1.686 1.00 0.00 C ATOM 131 OG SER A 11 3.213 16.856 3.036 1.00 0.00 O ATOM 0 H SER A 11 2.642 18.899 -0.676 1.00 0.00 H new ATOM 0 HA SER A 11 4.083 18.782 1.833 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.757 17.244 1.635 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.007 16.129 1.122 1.00 0.00 H new ATOM 0 HG SER A 11 2.704 16.112 3.421 1.00 0.00 H new ATOM 137 N PRO A 12 5.895 17.450 0.623 1.00 0.00 N ATOM 138 CA PRO A 12 7.005 16.932 -0.162 1.00 0.00 C ATOM 139 C PRO A 12 6.984 15.412 -0.228 1.00 0.00 C ATOM 140 O PRO A 12 7.652 14.804 -1.065 1.00 0.00 O ATOM 141 CB PRO A 12 8.247 17.410 0.601 1.00 0.00 C ATOM 142 CG PRO A 12 7.749 18.069 1.855 1.00 0.00 C ATOM 143 CD PRO A 12 6.301 17.695 2.004 1.00 0.00 C ATOM 0 HA PRO A 12 6.971 17.277 -1.196 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.903 16.573 0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.827 18.110 -0.001 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.324 17.737 2.719 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.863 19.151 1.793 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.172 16.811 2.628 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.720 18.495 2.462 1.00 0.00 H new ATOM 151 N ASP A 13 6.211 14.807 0.665 1.00 0.00 N ATOM 152 CA ASP A 13 6.093 13.357 0.719 1.00 0.00 C ATOM 153 C ASP A 13 4.700 12.922 0.289 1.00 0.00 C ATOM 154 O ASP A 13 4.267 11.807 0.579 1.00 0.00 O ATOM 155 CB ASP A 13 6.389 12.849 2.131 1.00 0.00 C ATOM 156 CG ASP A 13 6.176 13.917 3.186 1.00 0.00 C ATOM 157 OD1 ASP A 13 7.048 14.802 3.319 1.00 0.00 O ATOM 158 OD2 ASP A 13 5.138 13.869 3.878 1.00 0.00 O ATOM 0 H ASP A 13 5.655 15.301 1.363 1.00 0.00 H new ATOM 0 HA ASP A 13 6.822 12.927 0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.748 11.994 2.348 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.419 12.495 2.179 1.00 0.00 H new ATOM 163 N LEU A 14 4.004 13.813 -0.407 1.00 0.00 N ATOM 164 CA LEU A 14 2.655 13.523 -0.881 1.00 0.00 C ATOM 165 C LEU A 14 2.553 12.085 -1.360 1.00 0.00 C ATOM 166 O LEU A 14 1.647 11.349 -0.971 1.00 0.00 O ATOM 167 CB LEU A 14 2.282 14.468 -2.014 1.00 0.00 C ATOM 168 CG LEU A 14 1.173 15.468 -1.686 1.00 0.00 C ATOM 169 CD1 LEU A 14 1.540 16.854 -2.189 1.00 0.00 C ATOM 170 CD2 LEU A 14 -0.149 15.014 -2.285 1.00 0.00 C ATOM 0 H LEU A 14 4.350 14.740 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 14 1.963 13.666 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.172 15.021 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.972 13.875 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 14 1.060 15.515 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.739 17.553 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.464 17.181 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.681 16.824 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.927 15.738 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.051 14.938 -3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.419 14.040 -1.876 1.00 0.00 H new ATOM 182 N CYS A 15 3.495 11.694 -2.207 1.00 0.00 N ATOM 183 CA CYS A 15 3.531 10.344 -2.749 1.00 0.00 C ATOM 184 C CYS A 15 4.345 9.425 -1.848 1.00 0.00 C ATOM 185 O CYS A 15 5.059 8.551 -2.336 1.00 0.00 O ATOM 186 CB CYS A 15 4.131 10.356 -4.153 1.00 0.00 C ATOM 187 SG CYS A 15 3.765 8.865 -5.132 1.00 0.00 S ATOM 0 H CYS A 15 4.249 12.298 -2.535 1.00 0.00 H new ATOM 0 HA CYS A 15 2.509 9.968 -2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.758 11.229 -4.688 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.212 10.469 -4.073 1.00 0.00 H new ATOM 192 N GLY A 16 4.227 9.646 -0.537 1.00 0.00 N ATOM 193 CA GLY A 16 4.952 8.852 0.452 1.00 0.00 C ATOM 194 C GLY A 16 5.552 7.575 -0.109 1.00 0.00 C ATOM 195 O GLY A 16 4.981 6.499 0.053 1.00 0.00 O ATOM 0 H GLY A 16 3.633 10.372 -0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.749 9.460 0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.275 8.597 1.267 1.00 0.00 H new ATOM 199 N ARG A 17 6.708 7.722 -0.768 1.00 0.00 N ATOM 200 CA ARG A 17 7.443 6.608 -1.386 1.00 0.00 C ATOM 201 C ARG A 17 7.517 6.788 -2.900 1.00 0.00 C ATOM 202 O ARG A 17 7.877 5.865 -3.630 1.00 0.00 O ATOM 203 CB ARG A 17 6.815 5.250 -1.054 1.00 0.00 C ATOM 204 CG ARG A 17 7.705 4.069 -1.406 1.00 0.00 C ATOM 205 CD ARG A 17 8.960 4.044 -0.549 1.00 0.00 C ATOM 206 NE ARG A 17 9.281 2.698 -0.085 1.00 0.00 N ATOM 207 CZ ARG A 17 8.787 2.166 1.028 1.00 0.00 C ATOM 208 NH1 ARG A 17 7.953 2.865 1.786 1.00 0.00 N ATOM 209 NH2 ARG A 17 9.127 0.934 1.385 1.00 0.00 N ATOM 0 H ARG A 17 7.165 8.626 -0.889 1.00 0.00 H new ATOM 0 HA ARG A 17 8.451 6.621 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.584 5.216 0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.870 5.155 -1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.151 3.141 -1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.983 4.122 -2.459 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.798 4.439 -1.123 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.825 4.701 0.310 1.00 0.00 H new ATOM 0 HE ARG A 17 9.920 2.135 -0.646 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.690 3.812 1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.575 2.455 2.640 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.769 0.394 0.805 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.747 0.527 2.240 1.00 0.00 H new ATOM 223 N GLY A 18 7.178 7.988 -3.364 1.00 0.00 N ATOM 224 CA GLY A 18 7.215 8.277 -4.786 1.00 0.00 C ATOM 225 C GLY A 18 7.561 9.727 -5.065 1.00 0.00 C ATOM 226 O GLY A 18 8.282 10.358 -4.293 1.00 0.00 O ATOM 0 H GLY A 18 6.878 8.767 -2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.949 7.631 -5.268 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.246 8.044 -5.228 1.00 0.00 H new ATOM 230 N GLN A 19 7.046 10.259 -6.169 1.00 0.00 N ATOM 231 CA GLN A 19 7.308 11.646 -6.540 1.00 0.00 C ATOM 232 C GLN A 19 6.021 12.353 -6.953 1.00 0.00 C ATOM 233 O GLN A 19 5.483 12.102 -8.031 1.00 0.00 O ATOM 234 CB GLN A 19 8.323 11.704 -7.683 1.00 0.00 C ATOM 235 CG GLN A 19 9.677 11.113 -7.324 1.00 0.00 C ATOM 236 CD GLN A 19 10.833 11.950 -7.835 1.00 0.00 C ATOM 237 OE1 GLN A 19 11.509 12.632 -7.064 1.00 0.00 O ATOM 238 NE2 GLN A 19 11.066 11.903 -9.142 1.00 0.00 N ATOM 0 H GLN A 19 6.447 9.753 -6.821 1.00 0.00 H new ATOM 0 HA GLN A 19 7.718 12.158 -5.669 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.920 11.171 -8.544 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.458 12.742 -7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.752 11.019 -6.241 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.751 10.107 -7.737 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.480 11.324 -9.744 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.830 12.446 -9.544 1.00 0.00 H new ATOM 247 N CYS A 20 5.528 13.238 -6.089 1.00 0.00 N ATOM 248 CA CYS A 20 4.302 13.975 -6.372 1.00 0.00 C ATOM 249 C CYS A 20 4.399 14.737 -7.689 1.00 0.00 C ATOM 250 O CYS A 20 5.490 15.075 -8.149 1.00 0.00 O ATOM 251 CB CYS A 20 3.986 14.949 -5.239 1.00 0.00 C ATOM 252 SG CYS A 20 2.555 16.023 -5.578 1.00 0.00 S ATOM 0 H CYS A 20 5.958 13.460 -5.191 1.00 0.00 H new ATOM 0 HA CYS A 20 3.497 13.245 -6.455 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.797 14.383 -4.327 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.861 15.572 -5.052 1.00 0.00 H new ATOM 257 N VAL A 21 3.242 15.010 -8.284 1.00 0.00 N ATOM 258 CA VAL A 21 3.175 15.739 -9.546 1.00 0.00 C ATOM 259 C VAL A 21 2.067 16.788 -9.502 1.00 0.00 C ATOM 260 O VAL A 21 1.206 16.754 -8.625 1.00 0.00 O ATOM 261 CB VAL A 21 2.930 14.783 -10.733 1.00 0.00 C ATOM 262 CG1 VAL A 21 2.445 15.543 -11.961 1.00 0.00 C ATOM 263 CG2 VAL A 21 4.192 13.997 -11.051 1.00 0.00 C ATOM 0 H VAL A 21 2.334 14.736 -7.910 1.00 0.00 H new ATOM 0 HA VAL A 21 4.136 16.234 -9.689 1.00 0.00 H new ATOM 0 HB VAL A 21 2.147 14.081 -10.445 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.281 14.843 -12.781 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.511 16.054 -11.727 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.196 16.277 -12.255 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.002 13.328 -11.890 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.994 14.687 -11.312 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.485 13.412 -10.179 1.00 0.00 H new ATOM 273 N ASN A 22 2.098 17.719 -10.451 1.00 0.00 N ATOM 274 CA ASN A 22 1.099 18.779 -10.521 1.00 0.00 C ATOM 275 C ASN A 22 0.272 18.675 -11.800 1.00 0.00 C ATOM 276 O ASN A 22 0.798 18.351 -12.865 1.00 0.00 O ATOM 277 CB ASN A 22 1.780 20.145 -10.456 1.00 0.00 C ATOM 278 CG ASN A 22 0.798 21.258 -10.163 1.00 0.00 C ATOM 279 OD1 ASN A 22 0.443 22.039 -11.046 1.00 0.00 O ATOM 280 ND2 ASN A 22 0.354 21.337 -8.915 1.00 0.00 N ATOM 0 H ASN A 22 2.806 17.760 -11.184 1.00 0.00 H new ATOM 0 HA ASN A 22 0.428 18.666 -9.670 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.550 20.129 -9.685 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.282 20.345 -11.403 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.309 22.067 -8.655 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.676 20.668 -8.216 1.00 0.00 H new ATOM 287 N THR A 23 -1.025 18.957 -11.688 1.00 0.00 N ATOM 288 CA THR A 23 -1.924 18.901 -12.838 1.00 0.00 C ATOM 289 C THR A 23 -3.014 19.963 -12.733 1.00 0.00 C ATOM 290 O THR A 23 -3.356 20.410 -11.639 1.00 0.00 O ATOM 291 CB THR A 23 -2.594 17.519 -12.972 1.00 0.00 C ATOM 292 OG1 THR A 23 -3.663 17.398 -12.027 1.00 0.00 O ATOM 293 CG2 THR A 23 -1.588 16.400 -12.750 1.00 0.00 C ATOM 0 H THR A 23 -1.476 19.226 -10.813 1.00 0.00 H new ATOM 0 HA THR A 23 -1.312 19.087 -13.720 1.00 0.00 H new ATOM 0 HB THR A 23 -2.990 17.433 -13.984 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.084 16.518 -12.120 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.088 15.436 -12.850 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.791 16.475 -13.490 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.163 16.486 -11.750 1.00 0.00 H new ATOM 301 N PRO A 24 -3.578 20.374 -13.877 1.00 0.00 N ATOM 302 CA PRO A 24 -4.640 21.386 -13.918 1.00 0.00 C ATOM 303 C PRO A 24 -5.909 20.915 -13.215 1.00 0.00 C ATOM 304 O PRO A 24 -6.580 19.992 -13.676 1.00 0.00 O ATOM 305 CB PRO A 24 -4.897 21.583 -15.416 1.00 0.00 C ATOM 306 CG PRO A 24 -4.388 20.339 -16.060 1.00 0.00 C ATOM 307 CD PRO A 24 -3.230 19.883 -15.220 1.00 0.00 C ATOM 0 HA PRO A 24 -4.349 22.302 -13.404 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.958 21.727 -15.619 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.378 22.464 -15.793 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.165 19.575 -16.102 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.074 20.531 -17.086 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.122 18.799 -15.237 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.287 20.303 -15.571 1.00 0.00 H new ATOM 315 N GLY A 25 -6.230 21.553 -12.094 1.00 0.00 N ATOM 316 CA GLY A 25 -7.415 21.183 -11.344 1.00 0.00 C ATOM 317 C GLY A 25 -7.270 19.837 -10.663 1.00 0.00 C ATOM 318 O GLY A 25 -8.247 19.106 -10.500 1.00 0.00 O ATOM 0 H GLY A 25 -5.690 22.320 -11.692 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.620 21.947 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.273 21.157 -12.015 1.00 0.00 H new ATOM 322 N ASP A 26 -6.045 19.506 -10.269 1.00 0.00 N ATOM 323 CA ASP A 26 -5.768 18.240 -9.606 1.00 0.00 C ATOM 324 C ASP A 26 -4.271 17.962 -9.593 1.00 0.00 C ATOM 325 O ASP A 26 -3.467 18.835 -9.919 1.00 0.00 O ATOM 326 CB ASP A 26 -6.503 17.103 -10.311 1.00 0.00 C ATOM 327 CG ASP A 26 -7.480 16.390 -9.396 1.00 0.00 C ATOM 328 OD1 ASP A 26 -7.122 16.138 -8.226 1.00 0.00 O ATOM 329 OD2 ASP A 26 -8.602 16.084 -9.848 1.00 0.00 O ATOM 0 H ASP A 26 -5.226 20.100 -10.399 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.121 18.305 -8.577 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.040 17.500 -11.172 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.776 16.385 -10.692 1.00 0.00 H new ATOM 334 N PHE A 27 -3.898 16.746 -9.214 1.00 0.00 N ATOM 335 CA PHE A 27 -2.494 16.369 -9.160 1.00 0.00 C ATOM 336 C PHE A 27 -2.332 14.855 -9.075 1.00 0.00 C ATOM 337 O PHE A 27 -3.309 14.108 -9.130 1.00 0.00 O ATOM 338 CB PHE A 27 -1.822 17.038 -7.964 1.00 0.00 C ATOM 339 CG PHE A 27 -1.961 16.266 -6.684 1.00 0.00 C ATOM 340 CD1 PHE A 27 -3.064 16.449 -5.866 1.00 0.00 C ATOM 341 CD2 PHE A 27 -0.989 15.358 -6.300 1.00 0.00 C ATOM 342 CE1 PHE A 27 -3.195 15.740 -4.689 1.00 0.00 C ATOM 343 CE2 PHE A 27 -1.114 14.646 -5.122 1.00 0.00 C ATOM 344 CZ PHE A 27 -2.219 14.837 -4.315 1.00 0.00 C ATOM 0 H PHE A 27 -4.546 16.008 -8.941 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.015 16.707 -10.079 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.763 17.174 -8.183 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.249 18.031 -7.827 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.830 17.154 -6.152 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.124 15.204 -6.928 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.060 15.891 -4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.349 13.941 -4.833 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.319 14.282 -3.394 1.00 0.00 H new ATOM 354 N GLU A 28 -1.087 14.413 -8.938 1.00 0.00 N ATOM 355 CA GLU A 28 -0.779 12.992 -8.840 1.00 0.00 C ATOM 356 C GLU A 28 0.664 12.794 -8.395 1.00 0.00 C ATOM 357 O GLU A 28 1.246 13.666 -7.751 1.00 0.00 O ATOM 358 CB GLU A 28 -1.014 12.301 -10.185 1.00 0.00 C ATOM 359 CG GLU A 28 0.036 12.637 -11.232 1.00 0.00 C ATOM 360 CD GLU A 28 -0.424 12.317 -12.641 1.00 0.00 C ATOM 361 OE1 GLU A 28 -1.055 13.190 -13.273 1.00 0.00 O ATOM 362 OE2 GLU A 28 -0.153 11.192 -13.112 1.00 0.00 O ATOM 0 H GLU A 28 -0.271 15.023 -8.892 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.440 12.545 -8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.030 11.222 -10.032 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.996 12.584 -10.563 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.284 13.696 -11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.949 12.082 -11.017 1.00 0.00 H new ATOM 369 N CYS A 29 1.242 11.648 -8.738 1.00 0.00 N ATOM 370 CA CYS A 29 2.620 11.361 -8.361 1.00 0.00 C ATOM 371 C CYS A 29 3.169 10.141 -9.092 1.00 0.00 C ATOM 372 O CYS A 29 2.470 9.495 -9.871 1.00 0.00 O ATOM 373 CB CYS A 29 2.716 11.128 -6.857 1.00 0.00 C ATOM 374 SG CYS A 29 2.242 9.447 -6.339 1.00 0.00 S ATOM 0 H CYS A 29 0.783 10.910 -9.271 1.00 0.00 H new ATOM 0 HA CYS A 29 3.218 12.227 -8.645 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.739 11.323 -6.534 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.078 11.849 -6.346 1.00 0.00 H new ATOM 379 N LYS A 30 4.430 9.832 -8.808 1.00 0.00 N ATOM 380 CA LYS A 30 5.101 8.685 -9.404 1.00 0.00 C ATOM 381 C LYS A 30 5.487 7.695 -8.313 1.00 0.00 C ATOM 382 O LYS A 30 6.628 7.672 -7.852 1.00 0.00 O ATOM 383 CB LYS A 30 6.347 9.132 -10.173 1.00 0.00 C ATOM 384 CG LYS A 30 6.850 8.103 -11.172 1.00 0.00 C ATOM 385 CD LYS A 30 6.604 6.685 -10.685 1.00 0.00 C ATOM 386 CE LYS A 30 7.221 5.659 -11.622 1.00 0.00 C ATOM 387 NZ LYS A 30 7.177 6.106 -13.042 1.00 0.00 N ATOM 0 H LYS A 30 5.011 10.366 -8.162 1.00 0.00 H new ATOM 0 HA LYS A 30 4.419 8.202 -10.104 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.124 10.059 -10.701 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.142 9.354 -9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.352 8.251 -12.130 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.917 8.250 -11.341 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.022 6.565 -9.686 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.532 6.508 -10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.255 5.477 -11.331 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.691 4.712 -11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.382 5.300 -13.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.231 6.480 -13.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.887 6.851 -13.194 1.00 0.00 H new ATOM 401 N CYS A 31 4.515 6.897 -7.885 1.00 0.00 N ATOM 402 CA CYS A 31 4.732 5.921 -6.826 1.00 0.00 C ATOM 403 C CYS A 31 5.897 4.987 -7.137 1.00 0.00 C ATOM 404 O CYS A 31 6.354 4.897 -8.277 1.00 0.00 O ATOM 405 CB CYS A 31 3.456 5.121 -6.576 1.00 0.00 C ATOM 406 SG CYS A 31 2.696 5.467 -4.961 1.00 0.00 S ATOM 0 H CYS A 31 3.566 6.908 -8.258 1.00 0.00 H new ATOM 0 HA CYS A 31 4.993 6.471 -5.921 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.736 5.343 -7.364 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.683 4.057 -6.642 1.00 0.00 H new ATOM 411 N ASP A 32 6.379 4.305 -6.100 1.00 0.00 N ATOM 412 CA ASP A 32 7.503 3.384 -6.230 1.00 0.00 C ATOM 413 C ASP A 32 7.140 2.147 -7.048 1.00 0.00 C ATOM 414 O ASP A 32 7.332 2.121 -8.264 1.00 0.00 O ATOM 415 CB ASP A 32 7.997 2.963 -4.843 1.00 0.00 C ATOM 416 CG ASP A 32 9.323 3.605 -4.483 1.00 0.00 C ATOM 417 OD1 ASP A 32 9.625 4.688 -5.029 1.00 0.00 O ATOM 418 OD2 ASP A 32 10.058 3.026 -3.656 1.00 0.00 O ATOM 0 H ASP A 32 6.004 4.375 -5.154 1.00 0.00 H new ATOM 0 HA ASP A 32 8.297 3.909 -6.761 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.250 3.234 -4.097 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.101 1.878 -4.811 1.00 0.00 H new ATOM 423 N GLU A 33 6.634 1.117 -6.375 1.00 0.00 N ATOM 424 CA GLU A 33 6.271 -0.127 -7.048 1.00 0.00 C ATOM 425 C GLU A 33 4.806 -0.487 -6.828 1.00 0.00 C ATOM 426 O GLU A 33 3.961 -0.247 -7.692 1.00 0.00 O ATOM 427 CB GLU A 33 7.168 -1.267 -6.558 1.00 0.00 C ATOM 428 CG GLU A 33 6.580 -2.650 -6.793 1.00 0.00 C ATOM 429 CD GLU A 33 7.643 -3.695 -7.070 1.00 0.00 C ATOM 430 OE1 GLU A 33 8.518 -3.440 -7.924 1.00 0.00 O ATOM 431 OE2 GLU A 33 7.601 -4.768 -6.431 1.00 0.00 O ATOM 0 H GLU A 33 6.467 1.119 -5.369 1.00 0.00 H new ATOM 0 HA GLU A 33 6.417 0.022 -8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.132 -1.201 -7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.356 -1.138 -5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.001 -2.948 -5.919 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.888 -2.609 -7.634 1.00 0.00 H new ATOM 438 N GLY A 34 4.511 -1.075 -5.674 1.00 0.00 N ATOM 439 CA GLY A 34 3.152 -1.468 -5.372 1.00 0.00 C ATOM 440 C GLY A 34 2.404 -0.405 -4.605 1.00 0.00 C ATOM 441 O GLY A 34 1.217 -0.547 -4.334 1.00 0.00 O ATOM 0 H GLY A 34 5.191 -1.286 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.623 -1.682 -6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.164 -2.391 -4.792 1.00 0.00 H new ATOM 445 N TYR A 35 3.097 0.668 -4.255 1.00 0.00 N ATOM 446 CA TYR A 35 2.475 1.752 -3.517 1.00 0.00 C ATOM 447 C TYR A 35 1.465 2.475 -4.396 1.00 0.00 C ATOM 448 O TYR A 35 1.794 2.942 -5.485 1.00 0.00 O ATOM 449 CB TYR A 35 3.535 2.727 -3.008 1.00 0.00 C ATOM 450 CG TYR A 35 4.386 2.163 -1.892 1.00 0.00 C ATOM 451 CD1 TYR A 35 5.234 1.086 -2.118 1.00 0.00 C ATOM 452 CD2 TYR A 35 4.340 2.707 -0.616 1.00 0.00 C ATOM 453 CE1 TYR A 35 6.013 0.567 -1.099 1.00 0.00 C ATOM 454 CE2 TYR A 35 5.117 2.196 0.407 1.00 0.00 C ATOM 455 CZ TYR A 35 5.950 1.125 0.159 1.00 0.00 C ATOM 456 OH TYR A 35 6.724 0.612 1.175 1.00 0.00 O ATOM 0 H TYR A 35 4.084 0.809 -4.469 1.00 0.00 H new ATOM 0 HA TYR A 35 1.951 1.334 -2.657 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.181 3.015 -3.837 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.044 3.635 -2.657 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.286 0.647 -3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.686 3.544 -0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.667 -0.271 -1.289 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.072 2.633 1.394 1.00 0.00 H new ATOM 0 HH TYR A 35 6.268 0.744 2.032 1.00 0.00 H new ATOM 466 N GLU A 36 0.229 2.545 -3.922 1.00 0.00 N ATOM 467 CA GLU A 36 -0.839 3.194 -4.669 1.00 0.00 C ATOM 468 C GLU A 36 -0.987 4.654 -4.256 1.00 0.00 C ATOM 469 O GLU A 36 -0.943 4.985 -3.071 1.00 0.00 O ATOM 470 CB GLU A 36 -2.157 2.439 -4.467 1.00 0.00 C ATOM 471 CG GLU A 36 -3.015 2.983 -3.335 1.00 0.00 C ATOM 472 CD GLU A 36 -3.743 1.889 -2.579 1.00 0.00 C ATOM 473 OE1 GLU A 36 -4.826 1.469 -3.038 1.00 0.00 O ATOM 474 OE2 GLU A 36 -3.230 1.453 -1.527 1.00 0.00 O ATOM 0 H GLU A 36 -0.059 2.160 -3.023 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.580 3.172 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.730 2.476 -5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.936 1.390 -4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.385 3.541 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.743 3.686 -3.741 1.00 0.00 H new ATOM 481 N SER A 37 -1.158 5.523 -5.246 1.00 0.00 N ATOM 482 CA SER A 37 -1.312 6.947 -5.001 1.00 0.00 C ATOM 483 C SER A 37 -2.783 7.322 -4.876 1.00 0.00 C ATOM 484 O SER A 37 -3.469 7.528 -5.877 1.00 0.00 O ATOM 485 CB SER A 37 -0.664 7.750 -6.123 1.00 0.00 C ATOM 486 OG SER A 37 0.015 6.904 -7.034 1.00 0.00 O ATOM 0 H SER A 37 -1.193 5.261 -6.231 1.00 0.00 H new ATOM 0 HA SER A 37 -0.815 7.184 -4.060 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.427 8.321 -6.652 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.037 8.470 -5.700 1.00 0.00 H new ATOM 0 HG SER A 37 0.908 7.266 -7.213 1.00 0.00 H new ATOM 492 N GLY A 38 -3.262 7.406 -3.641 1.00 0.00 N ATOM 493 CA GLY A 38 -4.649 7.754 -3.409 1.00 0.00 C ATOM 494 C GLY A 38 -5.495 6.539 -3.104 1.00 0.00 C ATOM 495 O GLY A 38 -6.596 6.389 -3.632 1.00 0.00 O ATOM 0 H GLY A 38 -2.714 7.239 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.712 8.457 -2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.047 8.262 -4.288 1.00 0.00 H new ATOM 499 N PHE A 39 -4.978 5.671 -2.246 1.00 0.00 N ATOM 500 CA PHE A 39 -5.691 4.462 -1.865 1.00 0.00 C ATOM 501 C PHE A 39 -7.170 4.759 -1.687 1.00 0.00 C ATOM 502 O PHE A 39 -8.022 3.901 -1.915 1.00 0.00 O ATOM 503 CB PHE A 39 -5.107 3.885 -0.575 1.00 0.00 C ATOM 504 CG PHE A 39 -6.028 2.927 0.124 1.00 0.00 C ATOM 505 CD1 PHE A 39 -6.586 1.858 -0.558 1.00 0.00 C ATOM 506 CD2 PHE A 39 -6.336 3.095 1.465 1.00 0.00 C ATOM 507 CE1 PHE A 39 -7.434 0.974 0.082 1.00 0.00 C ATOM 508 CE2 PHE A 39 -7.183 2.214 2.111 1.00 0.00 C ATOM 509 CZ PHE A 39 -7.733 1.153 1.419 1.00 0.00 C ATOM 0 H PHE A 39 -4.067 5.782 -1.801 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.576 3.724 -2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.172 3.375 -0.805 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.865 4.704 0.103 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.355 1.714 -1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.910 3.923 2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.862 0.145 -0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.414 2.355 3.156 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.396 0.464 1.922 1.00 0.00 H new ATOM 519 N MET A 40 -7.462 5.989 -1.282 1.00 0.00 N ATOM 520 CA MET A 40 -8.834 6.426 -1.069 1.00 0.00 C ATOM 521 C MET A 40 -8.879 7.580 -0.081 1.00 0.00 C ATOM 522 O MET A 40 -9.660 8.519 -0.237 1.00 0.00 O ATOM 523 CB MET A 40 -9.689 5.280 -0.541 1.00 0.00 C ATOM 524 CG MET A 40 -8.959 4.373 0.436 1.00 0.00 C ATOM 525 SD MET A 40 -9.868 4.131 1.974 1.00 0.00 S ATOM 526 CE MET A 40 -10.441 5.797 2.298 1.00 0.00 C ATOM 0 H MET A 40 -6.761 6.705 -1.094 1.00 0.00 H new ATOM 0 HA MET A 40 -9.231 6.757 -2.029 1.00 0.00 H new ATOM 0 HB2 MET A 40 -10.571 5.692 -0.051 1.00 0.00 H new ATOM 0 HB3 MET A 40 -10.042 4.684 -1.383 1.00 0.00 H new ATOM 0 HG2 MET A 40 -8.785 3.405 -0.034 1.00 0.00 H new ATOM 0 HG3 MET A 40 -7.981 4.799 0.660 1.00 0.00 H new ATOM 0 HE1 MET A 40 -10.882 5.843 3.294 1.00 0.00 H new ATOM 0 HE2 MET A 40 -9.600 6.488 2.241 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.190 6.075 1.557 1.00 0.00 H new ATOM 536 N MET A 41 -8.036 7.497 0.938 1.00 0.00 N ATOM 537 CA MET A 41 -7.976 8.530 1.960 1.00 0.00 C ATOM 538 C MET A 41 -7.671 9.886 1.341 1.00 0.00 C ATOM 539 O MET A 41 -8.341 10.876 1.630 1.00 0.00 O ATOM 540 CB MET A 41 -6.915 8.182 3.005 1.00 0.00 C ATOM 541 CG MET A 41 -5.566 7.819 2.405 1.00 0.00 C ATOM 542 SD MET A 41 -4.699 6.557 3.358 1.00 0.00 S ATOM 543 CE MET A 41 -4.395 7.440 4.888 1.00 0.00 C ATOM 0 H MET A 41 -7.384 6.725 1.078 1.00 0.00 H new ATOM 0 HA MET A 41 -8.950 8.583 2.447 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.788 9.030 3.678 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.271 7.347 3.608 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.710 7.463 1.385 1.00 0.00 H new ATOM 0 HG3 MET A 41 -4.946 8.714 2.346 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.817 6.809 5.564 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.837 8.352 4.677 1.00 0.00 H new ATOM 0 HE3 MET A 41 -5.346 7.696 5.355 1.00 0.00 H new ATOM 553 N MET A 42 -6.660 9.915 0.481 1.00 0.00 N ATOM 554 CA MET A 42 -6.254 11.149 -0.189 1.00 0.00 C ATOM 555 C MET A 42 -5.374 10.858 -1.407 1.00 0.00 C ATOM 556 O MET A 42 -5.877 10.615 -2.504 1.00 0.00 O ATOM 557 CB MET A 42 -5.501 12.062 0.784 1.00 0.00 C ATOM 558 CG MET A 42 -6.363 12.612 1.908 1.00 0.00 C ATOM 559 SD MET A 42 -7.790 13.534 1.304 1.00 0.00 S ATOM 560 CE MET A 42 -7.174 15.213 1.399 1.00 0.00 C ATOM 0 H MET A 42 -6.104 9.098 0.229 1.00 0.00 H new ATOM 0 HA MET A 42 -7.159 11.652 -0.530 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.669 11.507 1.217 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.073 12.895 0.227 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.706 11.788 2.533 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.757 13.261 2.540 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.945 15.903 1.057 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.910 15.446 2.431 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.292 15.313 0.767 1.00 0.00 H new ATOM 570 N LYS A 43 -4.057 10.892 -1.205 1.00 0.00 N ATOM 571 CA LYS A 43 -3.102 10.642 -2.281 1.00 0.00 C ATOM 572 C LYS A 43 -1.696 10.464 -1.716 1.00 0.00 C ATOM 573 O LYS A 43 -0.996 11.441 -1.455 1.00 0.00 O ATOM 574 CB LYS A 43 -3.113 11.801 -3.278 1.00 0.00 C ATOM 575 CG LYS A 43 -2.962 11.368 -4.728 1.00 0.00 C ATOM 576 CD LYS A 43 -1.916 10.279 -4.880 1.00 0.00 C ATOM 577 CE LYS A 43 -0.522 10.793 -4.566 1.00 0.00 C ATOM 578 NZ LYS A 43 -0.062 11.795 -5.566 1.00 0.00 N ATOM 0 H LYS A 43 -3.627 11.091 -0.302 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.395 9.726 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.047 12.352 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.306 12.490 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.920 11.008 -5.102 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.684 12.228 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.156 9.448 -4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.940 9.891 -5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.516 11.242 -3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.177 9.957 -4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.879 12.146 -5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.011 11.350 -6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.733 12.589 -5.595 1.00 0.00 H new ATOM 592 N ASN A 44 -1.289 9.213 -1.527 1.00 0.00 N ATOM 593 CA ASN A 44 0.029 8.918 -0.990 1.00 0.00 C ATOM 594 C ASN A 44 0.396 7.454 -1.204 1.00 0.00 C ATOM 595 O ASN A 44 -0.409 6.558 -0.948 1.00 0.00 O ATOM 596 CB ASN A 44 0.080 9.252 0.500 1.00 0.00 C ATOM 597 CG ASN A 44 -1.239 8.979 1.199 1.00 0.00 C ATOM 598 OD1 ASN A 44 -1.583 9.640 2.178 1.00 0.00 O ATOM 599 ND2 ASN A 44 -1.988 8.000 0.698 1.00 0.00 N ATOM 0 H ASN A 44 -1.854 8.390 -1.738 1.00 0.00 H new ATOM 0 HA ASN A 44 0.753 9.535 -1.523 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.868 8.666 0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.344 10.302 0.625 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.885 7.773 1.128 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.665 7.476 -0.116 1.00 0.00 H new ATOM 606 N CYS A 45 1.619 7.219 -1.664 1.00 0.00 N ATOM 607 CA CYS A 45 2.099 5.864 -1.901 1.00 0.00 C ATOM 608 C CYS A 45 1.685 4.947 -0.756 1.00 0.00 C ATOM 609 O CYS A 45 2.019 5.196 0.402 1.00 0.00 O ATOM 610 CB CYS A 45 3.624 5.867 -2.037 1.00 0.00 C ATOM 611 SG CYS A 45 4.292 5.515 -3.704 1.00 0.00 S ATOM 0 H CYS A 45 2.297 7.950 -1.880 1.00 0.00 H new ATOM 0 HA CYS A 45 1.656 5.494 -2.826 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.994 6.842 -1.720 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.030 5.131 -1.343 1.00 0.00 H new ATOM 616 N MET A 46 0.951 3.890 -1.085 1.00 0.00 N ATOM 617 CA MET A 46 0.489 2.948 -0.075 1.00 0.00 C ATOM 618 C MET A 46 0.351 1.539 -0.650 1.00 0.00 C ATOM 619 O MET A 46 -0.727 1.156 -1.102 1.00 0.00 O ATOM 620 CB MET A 46 -0.852 3.412 0.497 1.00 0.00 C ATOM 621 CG MET A 46 -0.721 4.201 1.790 1.00 0.00 C ATOM 622 SD MET A 46 -1.817 3.596 3.086 1.00 0.00 S ATOM 623 CE MET A 46 -1.214 1.922 3.286 1.00 0.00 C ATOM 0 H MET A 46 0.665 3.665 -2.038 1.00 0.00 H new ATOM 0 HA MET A 46 1.232 2.916 0.721 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.361 4.028 -0.245 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.483 2.541 0.675 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.310 4.151 2.139 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.941 5.251 1.594 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.416 1.581 4.301 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.718 1.266 2.576 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.140 1.898 3.103 1.00 0.00 H new ATOM 633 N ASP A 47 1.457 0.785 -0.625 1.00 0.00 N ATOM 634 CA ASP A 47 1.500 -0.587 -1.132 1.00 0.00 C ATOM 635 C ASP A 47 0.105 -1.174 -1.321 1.00 0.00 C ATOM 636 O ASP A 47 -0.563 -1.548 -0.358 1.00 0.00 O ATOM 637 CB ASP A 47 2.310 -1.471 -0.181 1.00 0.00 C ATOM 638 CG ASP A 47 1.546 -1.811 1.084 1.00 0.00 C ATOM 639 OD1 ASP A 47 0.771 -0.955 1.559 1.00 0.00 O ATOM 640 OD2 ASP A 47 1.724 -2.935 1.600 1.00 0.00 O ATOM 0 H ASP A 47 2.348 1.112 -0.251 1.00 0.00 H new ATOM 0 HA ASP A 47 1.981 -0.558 -2.110 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.587 -2.392 -0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.237 -0.962 0.083 1.00 0.00 H new ATOM 645 N ILE A 48 -0.317 -1.243 -2.574 1.00 0.00 N ATOM 646 CA ILE A 48 -1.624 -1.778 -2.928 1.00 0.00 C ATOM 647 C ILE A 48 -1.918 -3.071 -2.179 1.00 0.00 C ATOM 648 O ILE A 48 -1.095 -3.553 -1.399 1.00 0.00 O ATOM 649 CB ILE A 48 -1.699 -2.056 -4.437 1.00 0.00 C ATOM 650 CG1 ILE A 48 -0.379 -2.661 -4.917 1.00 0.00 C ATOM 651 CG2 ILE A 48 -2.016 -0.778 -5.199 1.00 0.00 C ATOM 652 CD1 ILE A 48 -0.556 -3.882 -5.793 1.00 0.00 C ATOM 0 H ILE A 48 0.235 -0.931 -3.373 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.365 -1.029 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.501 -2.769 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.178 -1.905 -5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.224 -2.930 -4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.065 -0.994 -6.266 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.975 -0.383 -4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.235 -0.041 -5.013 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.422 -4.257 -6.096 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.085 -4.656 -5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.132 -3.614 -6.679 1.00 0.00 H new ATOM 664 N ASP A 49 -3.097 -3.634 -2.426 1.00 0.00 N ATOM 665 CA ASP A 49 -3.500 -4.876 -1.782 1.00 0.00 C ATOM 666 C ASP A 49 -3.202 -6.073 -2.677 1.00 0.00 C ATOM 667 O ASP A 49 -4.111 -6.668 -3.255 1.00 0.00 O ATOM 668 CB ASP A 49 -4.990 -4.841 -1.443 1.00 0.00 C ATOM 669 CG ASP A 49 -5.442 -6.092 -0.715 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.699 -7.096 -0.744 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.539 -6.068 -0.117 1.00 0.00 O ATOM 0 H ASP A 49 -3.789 -3.248 -3.068 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.927 -4.979 -0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.200 -3.968 -0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.567 -4.728 -2.361 1.00 0.00 H new ATOM 676 N GLU A 50 -1.925 -6.424 -2.788 1.00 0.00 N ATOM 677 CA GLU A 50 -1.511 -7.550 -3.610 1.00 0.00 C ATOM 678 C GLU A 50 -2.335 -8.792 -3.290 1.00 0.00 C ATOM 679 O GLU A 50 -2.473 -9.688 -4.121 1.00 0.00 O ATOM 680 CB GLU A 50 -0.029 -7.843 -3.386 1.00 0.00 C ATOM 681 CG GLU A 50 0.899 -6.818 -4.014 1.00 0.00 C ATOM 682 CD GLU A 50 1.132 -5.617 -3.119 1.00 0.00 C ATOM 683 OE1 GLU A 50 0.160 -4.882 -2.848 1.00 0.00 O ATOM 684 OE2 GLU A 50 2.287 -5.410 -2.689 1.00 0.00 O ATOM 0 H GLU A 50 -1.159 -5.942 -2.317 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.676 -7.287 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.165 -7.887 -2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.203 -8.827 -3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.856 -7.289 -4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.477 -6.484 -4.962 1.00 0.00 H new ATOM 691 N CYS A 51 -2.879 -8.835 -2.079 1.00 0.00 N ATOM 692 CA CYS A 51 -3.690 -9.967 -1.647 1.00 0.00 C ATOM 693 C CYS A 51 -5.075 -9.913 -2.284 1.00 0.00 C ATOM 694 O CYS A 51 -5.855 -10.860 -2.185 1.00 0.00 O ATOM 695 CB CYS A 51 -3.816 -9.979 -0.123 1.00 0.00 C ATOM 696 SG CYS A 51 -5.112 -11.092 0.511 1.00 0.00 S ATOM 0 H CYS A 51 -2.773 -8.100 -1.380 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.195 -10.883 -1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.858 -10.273 0.307 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.023 -8.966 0.221 1.00 0.00 H new ATOM 701 N GLN A 52 -5.373 -8.793 -2.935 1.00 0.00 N ATOM 702 CA GLN A 52 -6.659 -8.603 -3.587 1.00 0.00 C ATOM 703 C GLN A 52 -6.484 -8.382 -5.087 1.00 0.00 C ATOM 704 O GLN A 52 -7.401 -8.619 -5.872 1.00 0.00 O ATOM 705 CB GLN A 52 -7.384 -7.410 -2.967 1.00 0.00 C ATOM 706 CG GLN A 52 -8.265 -7.782 -1.789 1.00 0.00 C ATOM 707 CD GLN A 52 -9.512 -6.924 -1.698 1.00 0.00 C ATOM 708 OE1 GLN A 52 -10.267 -6.803 -2.663 1.00 0.00 O ATOM 709 NE2 GLN A 52 -9.733 -6.323 -0.535 1.00 0.00 N ATOM 0 H GLN A 52 -4.736 -8.001 -3.024 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.254 -9.505 -3.441 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.647 -6.676 -2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.996 -6.930 -3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.555 -8.829 -1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.693 -7.683 -0.867 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.080 -6.452 0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.556 -5.732 -0.414 1.00 0.00 H new ATOM 718 N ARG A 53 -5.298 -7.924 -5.473 1.00 0.00 N ATOM 719 CA ARG A 53 -4.995 -7.667 -6.876 1.00 0.00 C ATOM 720 C ARG A 53 -5.298 -8.889 -7.736 1.00 0.00 C ATOM 721 O ARG A 53 -5.723 -8.763 -8.884 1.00 0.00 O ATOM 722 CB ARG A 53 -3.527 -7.270 -7.034 1.00 0.00 C ATOM 723 CG ARG A 53 -3.074 -7.174 -8.481 1.00 0.00 C ATOM 724 CD ARG A 53 -1.654 -7.683 -8.647 1.00 0.00 C ATOM 725 NE ARG A 53 -1.137 -7.438 -9.991 1.00 0.00 N ATOM 726 CZ ARG A 53 -1.580 -8.064 -11.075 1.00 0.00 C ATOM 727 NH1 ARG A 53 -2.542 -8.970 -10.974 1.00 0.00 N ATOM 728 NH2 ARG A 53 -1.061 -7.785 -12.264 1.00 0.00 N ATOM 0 H ARG A 53 -4.530 -7.723 -4.833 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.628 -6.846 -7.213 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.365 -6.308 -6.547 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.905 -7.999 -6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.747 -7.752 -9.114 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.133 -6.138 -8.815 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.007 -7.197 -7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.626 -8.752 -8.437 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.394 -6.748 -10.103 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.944 -9.188 -10.062 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.881 -9.449 -11.808 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.320 -7.089 -12.346 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.403 -8.267 -13.095 1.00 0.00 H new ATOM 742 N ASP A 54 -5.073 -10.071 -7.175 1.00 0.00 N ATOM 743 CA ASP A 54 -5.318 -11.316 -7.891 1.00 0.00 C ATOM 744 C ASP A 54 -6.330 -12.183 -7.150 1.00 0.00 C ATOM 745 O ASP A 54 -6.294 -12.295 -5.925 1.00 0.00 O ATOM 746 CB ASP A 54 -4.009 -12.086 -8.078 1.00 0.00 C ATOM 747 CG ASP A 54 -3.556 -12.114 -9.524 1.00 0.00 C ATOM 748 OD1 ASP A 54 -3.938 -11.199 -10.284 1.00 0.00 O ATOM 749 OD2 ASP A 54 -2.819 -13.052 -9.897 1.00 0.00 O ATOM 0 H ASP A 54 -4.721 -10.193 -6.225 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.730 -11.067 -8.869 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.232 -11.629 -7.465 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.138 -13.108 -7.721 1.00 0.00 H new ATOM 754 N PRO A 55 -7.246 -12.812 -7.898 1.00 0.00 N ATOM 755 CA PRO A 55 -8.275 -13.681 -7.333 1.00 0.00 C ATOM 756 C PRO A 55 -7.741 -15.079 -7.038 1.00 0.00 C ATOM 757 O PRO A 55 -8.418 -15.900 -6.420 1.00 0.00 O ATOM 758 CB PRO A 55 -9.324 -13.727 -8.440 1.00 0.00 C ATOM 759 CG PRO A 55 -8.545 -13.567 -9.702 1.00 0.00 C ATOM 760 CD PRO A 55 -7.340 -12.726 -9.365 1.00 0.00 C ATOM 0 HA PRO A 55 -8.656 -13.316 -6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.871 -14.669 -8.429 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.059 -12.930 -8.324 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.242 -14.537 -10.095 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.149 -13.086 -10.471 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.439 -13.108 -9.846 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.466 -11.696 -9.697 1.00 0.00 H new ATOM 768 N LEU A 56 -6.514 -15.331 -7.481 1.00 0.00 N ATOM 769 CA LEU A 56 -5.866 -16.617 -7.267 1.00 0.00 C ATOM 770 C LEU A 56 -4.744 -16.475 -6.246 1.00 0.00 C ATOM 771 O LEU A 56 -4.234 -17.463 -5.719 1.00 0.00 O ATOM 772 CB LEU A 56 -5.311 -17.153 -8.585 1.00 0.00 C ATOM 773 CG LEU A 56 -5.950 -18.453 -9.073 1.00 0.00 C ATOM 774 CD1 LEU A 56 -7.047 -18.162 -10.083 1.00 0.00 C ATOM 775 CD2 LEU A 56 -4.894 -19.365 -9.674 1.00 0.00 C ATOM 0 H LEU A 56 -5.946 -14.656 -7.993 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.604 -17.322 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.441 -16.391 -9.353 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.239 -17.313 -8.472 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.400 -18.961 -8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.490 -19.099 -10.419 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.815 -17.544 -9.618 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.624 -17.634 -10.938 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.363 -20.287 -10.018 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.418 -18.864 -10.517 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.143 -19.599 -8.919 1.00 0.00 H new ATOM 787 N LEU A 57 -4.367 -15.231 -5.974 1.00 0.00 N ATOM 788 CA LEU A 57 -3.311 -14.946 -5.013 1.00 0.00 C ATOM 789 C LEU A 57 -3.565 -15.677 -3.704 1.00 0.00 C ATOM 790 O LEU A 57 -4.593 -15.474 -3.058 1.00 0.00 O ATOM 791 CB LEU A 57 -3.221 -13.441 -4.761 1.00 0.00 C ATOM 792 CG LEU A 57 -1.837 -12.935 -4.354 1.00 0.00 C ATOM 793 CD1 LEU A 57 -1.420 -11.766 -5.231 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.827 -12.536 -2.886 1.00 0.00 C ATOM 0 H LEU A 57 -4.778 -14.404 -6.406 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.366 -15.296 -5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.531 -12.917 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.933 -13.176 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.118 -13.742 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.433 -11.418 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.388 -12.086 -6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.140 -10.955 -5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.834 -12.178 -2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.557 -11.744 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.083 -13.400 -2.272 1.00 0.00 H new ATOM 806 N CYS A 58 -2.626 -16.531 -3.316 1.00 0.00 N ATOM 807 CA CYS A 58 -2.758 -17.292 -2.084 1.00 0.00 C ATOM 808 C CYS A 58 -4.138 -17.924 -1.996 1.00 0.00 C ATOM 809 O CYS A 58 -4.636 -18.220 -0.909 1.00 0.00 O ATOM 810 CB CYS A 58 -2.504 -16.389 -0.877 1.00 0.00 C ATOM 811 SG CYS A 58 -0.812 -15.718 -0.818 1.00 0.00 S ATOM 0 H CYS A 58 -1.768 -16.712 -3.836 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.015 -18.089 -2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.214 -15.562 -0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.695 -16.953 0.036 1.00 0.00 H new ATOM 816 N ARG A 59 -4.748 -18.137 -3.157 1.00 0.00 N ATOM 817 CA ARG A 59 -6.070 -18.745 -3.228 1.00 0.00 C ATOM 818 C ARG A 59 -6.093 -20.048 -2.440 1.00 0.00 C ATOM 819 O ARG A 59 -7.152 -20.521 -2.026 1.00 0.00 O ATOM 820 CB ARG A 59 -6.454 -18.999 -4.687 1.00 0.00 C ATOM 821 CG ARG A 59 -7.945 -19.201 -4.902 1.00 0.00 C ATOM 822 CD ARG A 59 -8.248 -20.585 -5.451 1.00 0.00 C ATOM 823 NE ARG A 59 -9.401 -21.194 -4.795 1.00 0.00 N ATOM 824 CZ ARG A 59 -9.986 -22.309 -5.220 1.00 0.00 C ATOM 825 NH1 ARG A 59 -9.526 -22.933 -6.296 1.00 0.00 N ATOM 826 NH2 ARG A 59 -11.031 -22.802 -4.569 1.00 0.00 N ATOM 0 H ARG A 59 -4.346 -17.897 -4.063 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.796 -18.061 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.120 -18.157 -5.293 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.922 -19.880 -5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.472 -19.060 -3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.319 -18.445 -5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.435 -20.517 -6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.376 -21.226 -5.320 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.779 -20.738 -3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.722 -22.557 -6.799 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.976 -23.789 -6.621 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.387 -22.325 -3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.479 -23.658 -4.897 1.00 0.00 H new ATOM 840 N GLY A 60 -4.910 -20.618 -2.230 1.00 0.00 N ATOM 841 CA GLY A 60 -4.797 -21.856 -1.484 1.00 0.00 C ATOM 842 C GLY A 60 -3.758 -21.765 -0.385 1.00 0.00 C ATOM 843 O GLY A 60 -3.357 -22.779 0.187 1.00 0.00 O ATOM 0 H GLY A 60 -4.024 -20.241 -2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.764 -22.106 -1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.535 -22.666 -2.164 1.00 0.00 H new ATOM 847 N GLY A 61 -3.320 -20.544 -0.093 1.00 0.00 N ATOM 848 CA GLY A 61 -2.323 -20.338 0.942 1.00 0.00 C ATOM 849 C GLY A 61 -2.638 -19.147 1.827 1.00 0.00 C ATOM 850 O GLY A 61 -3.767 -18.995 2.295 1.00 0.00 O ATOM 0 H GLY A 61 -3.638 -19.692 -0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.253 -21.235 1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.347 -20.193 0.478 1.00 0.00 H new ATOM 854 N VAL A 62 -1.639 -18.300 2.056 1.00 0.00 N ATOM 855 CA VAL A 62 -1.813 -17.116 2.891 1.00 0.00 C ATOM 856 C VAL A 62 -1.221 -15.880 2.221 1.00 0.00 C ATOM 857 O VAL A 62 -0.060 -15.880 1.814 1.00 0.00 O ATOM 858 CB VAL A 62 -1.155 -17.303 4.274 1.00 0.00 C ATOM 859 CG1 VAL A 62 -1.018 -15.969 4.996 1.00 0.00 C ATOM 860 CG2 VAL A 62 -1.952 -18.290 5.114 1.00 0.00 C ATOM 0 H VAL A 62 -0.700 -18.412 1.675 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.886 -16.975 3.023 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.154 -17.708 4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.552 -16.128 5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.400 -15.296 4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.005 -15.527 5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.474 -18.410 6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.966 -17.914 5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.988 -19.254 4.606 1.00 0.00 H new ATOM 870 N CYS A 63 -2.025 -14.827 2.114 1.00 0.00 N ATOM 871 CA CYS A 63 -1.578 -13.586 1.496 1.00 0.00 C ATOM 872 C CYS A 63 -1.056 -12.610 2.544 1.00 0.00 C ATOM 873 O CYS A 63 -1.830 -12.019 3.299 1.00 0.00 O ATOM 874 CB CYS A 63 -2.721 -12.947 0.706 1.00 0.00 C ATOM 875 SG CYS A 63 -4.104 -12.359 1.736 1.00 0.00 S ATOM 0 H CYS A 63 -2.989 -14.809 2.447 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.762 -13.822 0.813 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.327 -12.108 0.133 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.101 -13.673 -0.013 1.00 0.00 H new ATOM 880 N HIS A 64 0.262 -12.443 2.582 1.00 0.00 N ATOM 881 CA HIS A 64 0.894 -11.535 3.530 1.00 0.00 C ATOM 882 C HIS A 64 1.341 -10.259 2.830 1.00 0.00 C ATOM 883 O HIS A 64 2.536 -9.998 2.690 1.00 0.00 O ATOM 884 CB HIS A 64 2.090 -12.210 4.203 1.00 0.00 C ATOM 885 CG HIS A 64 1.934 -13.691 4.351 1.00 0.00 C ATOM 886 ND1 HIS A 64 1.930 -14.555 3.278 1.00 0.00 N ATOM 887 CD2 HIS A 64 1.775 -14.461 5.453 1.00 0.00 C ATOM 888 CE1 HIS A 64 1.773 -15.791 3.711 1.00 0.00 C ATOM 889 NE2 HIS A 64 1.678 -15.762 5.027 1.00 0.00 N ATOM 0 H HIS A 64 0.914 -12.927 1.965 1.00 0.00 H new ATOM 0 HA HIS A 64 0.162 -11.277 4.295 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.988 -12.004 3.621 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.240 -11.768 5.188 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.732 -14.116 6.476 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.730 -16.676 3.094 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.553 -16.575 5.630 1.00 0.00 H new ATOM 898 N ASN A 65 0.368 -9.472 2.388 1.00 0.00 N ATOM 899 CA ASN A 65 0.646 -8.220 1.697 1.00 0.00 C ATOM 900 C ASN A 65 1.679 -7.393 2.456 1.00 0.00 C ATOM 901 O ASN A 65 1.398 -6.867 3.533 1.00 0.00 O ATOM 902 CB ASN A 65 -0.643 -7.416 1.534 1.00 0.00 C ATOM 903 CG ASN A 65 -0.392 -6.025 0.991 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.362 -5.244 1.571 1.00 0.00 O ATOM 905 ND2 ASN A 65 -1.027 -5.709 -0.130 1.00 0.00 N ATOM 0 H ASN A 65 -0.625 -9.680 2.497 1.00 0.00 H new ATOM 0 HA ASN A 65 1.052 -8.457 0.714 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.318 -7.948 0.863 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.146 -7.341 2.498 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.900 -4.786 -0.546 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.643 -6.389 -0.576 1.00 0.00 H new ATOM 912 N THR A 66 2.872 -7.281 1.885 1.00 0.00 N ATOM 913 CA THR A 66 3.947 -6.516 2.503 1.00 0.00 C ATOM 914 C THR A 66 4.148 -5.183 1.792 1.00 0.00 C ATOM 915 O THR A 66 3.347 -4.796 0.939 1.00 0.00 O ATOM 916 CB THR A 66 5.274 -7.298 2.486 1.00 0.00 C ATOM 917 OG1 THR A 66 6.072 -6.887 1.371 1.00 0.00 O ATOM 918 CG2 THR A 66 5.019 -8.796 2.409 1.00 0.00 C ATOM 0 H THR A 66 3.119 -7.711 0.994 1.00 0.00 H new ATOM 0 HA THR A 66 3.654 -6.335 3.537 1.00 0.00 H new ATOM 0 HB THR A 66 5.807 -7.083 3.412 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.914 -7.388 1.369 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.971 -9.327 2.398 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.437 -9.111 3.275 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.466 -9.025 1.498 1.00 0.00 H new ATOM 926 N GLU A 67 5.220 -4.482 2.148 1.00 0.00 N ATOM 927 CA GLU A 67 5.525 -3.192 1.543 1.00 0.00 C ATOM 928 C GLU A 67 5.972 -3.365 0.094 1.00 0.00 C ATOM 929 O GLU A 67 6.889 -4.133 -0.195 1.00 0.00 O ATOM 930 CB GLU A 67 6.613 -2.474 2.343 1.00 0.00 C ATOM 931 CG GLU A 67 8.023 -2.884 1.955 1.00 0.00 C ATOM 932 CD GLU A 67 9.084 -2.143 2.743 1.00 0.00 C ATOM 933 OE1 GLU A 67 8.979 -2.103 3.988 1.00 0.00 O ATOM 934 OE2 GLU A 67 10.020 -1.603 2.118 1.00 0.00 O ATOM 0 H GLU A 67 5.892 -4.787 2.853 1.00 0.00 H new ATOM 0 HA GLU A 67 4.618 -2.588 1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.505 -1.398 2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.464 -2.674 3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.142 -3.956 2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.171 -2.700 0.891 1.00 0.00 H new ATOM 941 N GLY A 68 5.318 -2.646 -0.812 1.00 0.00 N ATOM 942 CA GLY A 68 5.663 -2.735 -2.217 1.00 0.00 C ATOM 943 C GLY A 68 5.853 -4.167 -2.677 1.00 0.00 C ATOM 944 O GLY A 68 6.613 -4.432 -3.609 1.00 0.00 O ATOM 0 H GLY A 68 4.555 -2.004 -0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.878 -2.267 -2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.579 -2.173 -2.399 1.00 0.00 H new ATOM 948 N SER A 69 5.159 -5.093 -2.023 1.00 0.00 N ATOM 949 CA SER A 69 5.255 -6.506 -2.370 1.00 0.00 C ATOM 950 C SER A 69 4.184 -7.319 -1.650 1.00 0.00 C ATOM 951 O SER A 69 3.261 -6.762 -1.054 1.00 0.00 O ATOM 952 CB SER A 69 6.643 -7.045 -2.017 1.00 0.00 C ATOM 953 OG SER A 69 7.220 -7.727 -3.116 1.00 0.00 O ATOM 0 H SER A 69 4.525 -4.890 -1.250 1.00 0.00 H new ATOM 0 HA SER A 69 5.096 -6.602 -3.444 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.290 -6.222 -1.716 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.568 -7.720 -1.165 1.00 0.00 H new ATOM 0 HG SER A 69 8.107 -8.060 -2.865 1.00 0.00 H new ATOM 959 N TYR A 70 4.314 -8.640 -1.710 1.00 0.00 N ATOM 960 CA TYR A 70 3.360 -9.534 -1.066 1.00 0.00 C ATOM 961 C TYR A 70 3.902 -10.959 -1.030 1.00 0.00 C ATOM 962 O TYR A 70 4.527 -11.420 -1.985 1.00 0.00 O ATOM 963 CB TYR A 70 2.012 -9.480 -1.793 1.00 0.00 C ATOM 964 CG TYR A 70 1.795 -10.591 -2.799 1.00 0.00 C ATOM 965 CD1 TYR A 70 1.424 -11.865 -2.387 1.00 0.00 C ATOM 966 CD2 TYR A 70 1.957 -10.361 -4.158 1.00 0.00 C ATOM 967 CE1 TYR A 70 1.223 -12.879 -3.303 1.00 0.00 C ATOM 968 CE2 TYR A 70 1.757 -11.370 -5.081 1.00 0.00 C ATOM 969 CZ TYR A 70 1.390 -12.627 -4.648 1.00 0.00 C ATOM 970 OH TYR A 70 1.190 -13.634 -5.564 1.00 0.00 O ATOM 0 H TYR A 70 5.072 -9.115 -2.199 1.00 0.00 H new ATOM 0 HA TYR A 70 3.210 -9.205 -0.038 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.213 -9.516 -1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.928 -8.522 -2.306 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.291 -12.066 -1.334 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.244 -9.378 -4.500 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.936 -13.865 -2.967 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.887 -11.175 -6.135 1.00 0.00 H new ATOM 0 HH TYR A 70 0.815 -13.258 -6.387 1.00 0.00 H new ATOM 980 N ARG A 71 3.668 -11.650 0.080 1.00 0.00 N ATOM 981 CA ARG A 71 4.144 -13.016 0.236 1.00 0.00 C ATOM 982 C ARG A 71 2.987 -14.003 0.238 1.00 0.00 C ATOM 983 O ARG A 71 1.853 -13.648 0.558 1.00 0.00 O ATOM 984 CB ARG A 71 4.949 -13.160 1.528 1.00 0.00 C ATOM 985 CG ARG A 71 5.506 -11.848 2.054 1.00 0.00 C ATOM 986 CD ARG A 71 5.730 -11.904 3.555 1.00 0.00 C ATOM 987 NE ARG A 71 7.096 -12.293 3.892 1.00 0.00 N ATOM 988 CZ ARG A 71 8.100 -11.429 4.004 1.00 0.00 C ATOM 989 NH1 ARG A 71 7.890 -10.135 3.807 1.00 0.00 N ATOM 990 NH2 ARG A 71 9.316 -11.859 4.313 1.00 0.00 N ATOM 0 H ARG A 71 3.153 -11.287 0.882 1.00 0.00 H new ATOM 0 HA ARG A 71 4.789 -13.241 -0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.314 -13.607 2.293 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.774 -13.851 1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.447 -11.623 1.552 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.817 -11.037 1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.514 -10.928 3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.031 -12.613 3.999 1.00 0.00 H new ATOM 0 HE ARG A 71 7.291 -13.282 4.050 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.956 -9.800 3.569 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.662 -9.474 3.894 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.482 -12.854 4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.085 -11.195 4.399 1.00 0.00 H new ATOM 1004 N CYS A 72 3.285 -15.245 -0.117 1.00 0.00 N ATOM 1005 CA CYS A 72 2.279 -16.292 -0.156 1.00 0.00 C ATOM 1006 C CYS A 72 2.758 -17.511 0.635 1.00 0.00 C ATOM 1007 O CYS A 72 3.925 -17.892 0.552 1.00 0.00 O ATOM 1008 CB CYS A 72 1.988 -16.664 -1.611 1.00 0.00 C ATOM 1009 SG CYS A 72 0.236 -17.006 -1.985 1.00 0.00 S ATOM 0 H CYS A 72 4.221 -15.551 -0.383 1.00 0.00 H new ATOM 0 HA CYS A 72 1.359 -15.932 0.304 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.329 -15.852 -2.253 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.577 -17.544 -1.870 1.00 0.00 H new ATOM 1014 N GLU A 73 1.861 -18.104 1.422 1.00 0.00 N ATOM 1015 CA GLU A 73 2.216 -19.260 2.246 1.00 0.00 C ATOM 1016 C GLU A 73 1.118 -20.326 2.233 1.00 0.00 C ATOM 1017 O GLU A 73 0.003 -20.088 2.696 1.00 0.00 O ATOM 1018 CB GLU A 73 2.476 -18.797 3.684 1.00 0.00 C ATOM 1019 CG GLU A 73 3.094 -19.856 4.582 1.00 0.00 C ATOM 1020 CD GLU A 73 3.572 -19.293 5.905 1.00 0.00 C ATOM 1021 OE1 GLU A 73 4.738 -18.848 5.974 1.00 0.00 O ATOM 1022 OE2 GLU A 73 2.782 -19.295 6.873 1.00 0.00 O ATOM 0 H GLU A 73 0.889 -17.806 1.507 1.00 0.00 H new ATOM 0 HA GLU A 73 3.116 -19.711 1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.135 -17.929 3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.534 -18.470 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.361 -20.641 4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.933 -20.321 4.065 1.00 0.00 H new ATOM 1029 N CYS A 74 1.447 -21.505 1.705 1.00 0.00 N ATOM 1030 CA CYS A 74 0.495 -22.606 1.641 1.00 0.00 C ATOM 1031 C CYS A 74 0.386 -23.356 2.976 1.00 0.00 C ATOM 1032 O CYS A 74 -0.665 -23.918 3.286 1.00 0.00 O ATOM 1033 CB CYS A 74 0.867 -23.582 0.522 1.00 0.00 C ATOM 1034 SG CYS A 74 -0.480 -23.900 -0.666 1.00 0.00 S ATOM 0 H CYS A 74 2.366 -21.719 1.317 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.480 -22.169 1.425 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.728 -23.188 -0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.176 -24.528 0.967 1.00 0.00 H new ATOM 1039 N PRO A 75 1.476 -23.407 3.782 1.00 0.00 N ATOM 1040 CA PRO A 75 2.762 -22.757 3.471 1.00 0.00 C ATOM 1041 C PRO A 75 3.475 -23.397 2.285 1.00 0.00 C ATOM 1042 O PRO A 75 3.018 -24.399 1.737 1.00 0.00 O ATOM 1043 CB PRO A 75 3.590 -22.957 4.754 1.00 0.00 C ATOM 1044 CG PRO A 75 2.599 -23.339 5.803 1.00 0.00 C ATOM 1045 CD PRO A 75 1.518 -24.082 5.081 1.00 0.00 C ATOM 0 HA PRO A 75 2.622 -21.713 3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.342 -23.735 4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.120 -22.045 5.027 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.059 -23.963 6.569 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.201 -22.458 6.306 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.753 -25.141 4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.563 -24.016 5.603 1.00 0.00 H new ATOM 1053 N PRO A 76 4.624 -22.825 1.890 1.00 0.00 N ATOM 1054 CA PRO A 76 5.425 -23.330 0.777 1.00 0.00 C ATOM 1055 C PRO A 76 5.492 -24.851 0.737 1.00 0.00 C ATOM 1056 O PRO A 76 5.702 -25.435 -0.326 1.00 0.00 O ATOM 1057 CB PRO A 76 6.802 -22.739 1.063 1.00 0.00 C ATOM 1058 CG PRO A 76 6.515 -21.441 1.735 1.00 0.00 C ATOM 1059 CD PRO A 76 5.238 -21.637 2.513 1.00 0.00 C ATOM 0 HA PRO A 76 5.007 -23.051 -0.190 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.391 -23.396 1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.371 -22.594 0.145 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.333 -21.157 2.397 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.405 -20.641 1.003 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.436 -21.799 3.573 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.587 -20.766 2.440 1.00 0.00 H new ATOM 1067 N GLY A 77 5.305 -25.491 1.893 1.00 0.00 N ATOM 1068 CA GLY A 77 5.340 -26.944 1.944 1.00 0.00 C ATOM 1069 C GLY A 77 4.749 -27.553 0.692 1.00 0.00 C ATOM 1070 O GLY A 77 5.174 -28.615 0.238 1.00 0.00 O ATOM 0 H GLY A 77 5.131 -25.032 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.370 -27.281 2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.787 -27.293 2.816 1.00 0.00 H new ATOM 1074 N HIS A 78 3.774 -26.852 0.126 1.00 0.00 N ATOM 1075 CA HIS A 78 3.115 -27.283 -1.096 1.00 0.00 C ATOM 1076 C HIS A 78 3.948 -26.850 -2.312 1.00 0.00 C ATOM 1077 O HIS A 78 5.117 -27.218 -2.427 1.00 0.00 O ATOM 1078 CB HIS A 78 1.701 -26.691 -1.144 1.00 0.00 C ATOM 1079 CG HIS A 78 0.789 -27.388 -2.104 1.00 0.00 C ATOM 1080 ND1 HIS A 78 1.140 -28.541 -2.774 1.00 0.00 N ATOM 1081 CD2 HIS A 78 -0.469 -27.090 -2.506 1.00 0.00 C ATOM 1082 CE1 HIS A 78 0.138 -28.922 -3.546 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -0.850 -28.059 -3.401 1.00 0.00 N ATOM 0 H HIS A 78 3.420 -25.972 0.501 1.00 0.00 H new ATOM 0 HA HIS A 78 3.032 -28.370 -1.116 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.265 -26.734 -0.146 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.767 -25.638 -1.418 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.062 -26.247 -2.183 1.00 0.00 H new ATOM 0 HE1 HIS A 78 0.129 -29.791 -4.187 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -1.751 -28.105 -3.877 1.00 0.00 H new ATOM 1092 N GLN A 79 3.360 -26.055 -3.204 1.00 0.00 N ATOM 1093 CA GLN A 79 4.063 -25.563 -4.382 1.00 0.00 C ATOM 1094 C GLN A 79 3.514 -24.191 -4.744 1.00 0.00 C ATOM 1095 O GLN A 79 2.876 -24.012 -5.782 1.00 0.00 O ATOM 1096 CB GLN A 79 3.902 -26.534 -5.553 1.00 0.00 C ATOM 1097 CG GLN A 79 4.576 -26.062 -6.831 1.00 0.00 C ATOM 1098 CD GLN A 79 4.501 -27.091 -7.943 1.00 0.00 C ATOM 1099 OE1 GLN A 79 5.041 -28.191 -7.825 1.00 0.00 O ATOM 1100 NE2 GLN A 79 3.829 -26.736 -9.032 1.00 0.00 N ATOM 0 H GLN A 79 2.393 -25.738 -3.130 1.00 0.00 H new ATOM 0 HA GLN A 79 5.128 -25.484 -4.163 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.315 -27.502 -5.271 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.840 -26.684 -5.746 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.107 -25.137 -7.165 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.621 -25.832 -6.623 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.397 -25.814 -9.087 1.00 0.00 H new ATOM 0 HE22 GLN A 79 3.745 -27.386 -9.814 1.00 0.00 H new ATOM 1109 N LEU A 80 3.744 -23.233 -3.853 1.00 0.00 N ATOM 1110 CA LEU A 80 3.254 -21.876 -4.032 1.00 0.00 C ATOM 1111 C LEU A 80 4.257 -21.004 -4.765 1.00 0.00 C ATOM 1112 O LEU A 80 5.314 -20.664 -4.234 1.00 0.00 O ATOM 1113 CB LEU A 80 2.915 -21.273 -2.667 1.00 0.00 C ATOM 1114 CG LEU A 80 2.319 -19.862 -2.674 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.619 -19.553 -3.989 1.00 0.00 C ATOM 1116 CD2 LEU A 80 1.350 -19.706 -1.513 1.00 0.00 C ATOM 0 H LEU A 80 4.272 -23.376 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 80 2.356 -21.917 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.212 -21.938 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.824 -21.257 -2.066 1.00 0.00 H new ATOM 0 HG LEU A 80 3.138 -19.151 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.210 -18.543 -3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.334 -19.627 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.811 -20.267 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.929 -18.701 -1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.547 -20.437 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.878 -19.869 -0.574 1.00 0.00 H new ATOM 1128 N SER A 81 3.903 -20.629 -5.985 1.00 0.00 N ATOM 1129 CA SER A 81 4.749 -19.778 -6.795 1.00 0.00 C ATOM 1130 C SER A 81 4.933 -18.427 -6.105 1.00 0.00 C ATOM 1131 O SER A 81 3.989 -17.869 -5.547 1.00 0.00 O ATOM 1132 CB SER A 81 4.136 -19.604 -8.182 1.00 0.00 C ATOM 1133 OG SER A 81 4.965 -18.812 -9.011 1.00 0.00 O ATOM 0 H SER A 81 3.030 -20.905 -6.434 1.00 0.00 H new ATOM 0 HA SER A 81 5.728 -20.242 -6.911 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.985 -20.581 -8.641 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.155 -19.138 -8.093 1.00 0.00 H new ATOM 0 HG SER A 81 5.362 -19.374 -9.709 1.00 0.00 H new ATOM 1139 N PRO A 82 6.165 -17.906 -6.106 1.00 0.00 N ATOM 1140 CA PRO A 82 6.497 -16.635 -5.452 1.00 0.00 C ATOM 1141 C PRO A 82 6.048 -15.400 -6.228 1.00 0.00 C ATOM 1142 O PRO A 82 6.625 -15.055 -7.258 1.00 0.00 O ATOM 1143 CB PRO A 82 8.021 -16.681 -5.362 1.00 0.00 C ATOM 1144 CG PRO A 82 8.446 -17.540 -6.504 1.00 0.00 C ATOM 1145 CD PRO A 82 7.339 -18.540 -6.724 1.00 0.00 C ATOM 0 HA PRO A 82 5.986 -16.542 -4.494 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.452 -15.682 -5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.348 -17.099 -4.410 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.611 -16.941 -7.400 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.386 -18.045 -6.281 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.178 -18.731 -7.785 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.568 -19.499 -6.258 1.00 0.00 H new ATOM 1153 N ASN A 83 5.030 -14.725 -5.700 1.00 0.00 N ATOM 1154 CA ASN A 83 4.500 -13.503 -6.303 1.00 0.00 C ATOM 1155 C ASN A 83 3.713 -13.783 -7.581 1.00 0.00 C ATOM 1156 O ASN A 83 3.409 -12.864 -8.340 1.00 0.00 O ATOM 1157 CB ASN A 83 5.629 -12.510 -6.590 1.00 0.00 C ATOM 1158 CG ASN A 83 6.301 -12.009 -5.324 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.520 -11.850 -5.277 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.507 -11.757 -4.287 1.00 0.00 N ATOM 0 H ASN A 83 4.550 -15.008 -4.845 1.00 0.00 H new ATOM 0 HA ASN A 83 3.810 -13.066 -5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.373 -12.986 -7.228 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.229 -11.661 -7.145 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.904 -11.418 -3.411 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.501 -11.902 -4.368 1.00 0.00 H new ATOM 1167 N ILE A 84 3.368 -15.043 -7.807 1.00 0.00 N ATOM 1168 CA ILE A 84 2.595 -15.413 -8.986 1.00 0.00 C ATOM 1169 C ILE A 84 1.112 -15.484 -8.642 1.00 0.00 C ATOM 1170 O ILE A 84 0.252 -15.401 -9.519 1.00 0.00 O ATOM 1171 CB ILE A 84 3.056 -16.758 -9.570 1.00 0.00 C ATOM 1172 CG1 ILE A 84 4.447 -16.616 -10.193 1.00 0.00 C ATOM 1173 CG2 ILE A 84 2.056 -17.263 -10.599 1.00 0.00 C ATOM 1174 CD1 ILE A 84 5.532 -16.317 -9.185 1.00 0.00 C ATOM 0 H ILE A 84 3.609 -15.822 -7.194 1.00 0.00 H new ATOM 0 HA ILE A 84 2.760 -14.644 -9.740 1.00 0.00 H new ATOM 0 HB ILE A 84 3.112 -17.488 -8.762 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.696 -17.537 -10.720 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.424 -15.819 -10.937 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.399 -18.216 -11.002 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.083 -17.398 -10.126 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.969 -16.538 -11.408 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.490 -16.230 -9.697 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.307 -15.381 -8.675 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.583 -17.125 -8.455 1.00 0.00 H new ATOM 1186 N SER A 85 0.826 -15.617 -7.349 1.00 0.00 N ATOM 1187 CA SER A 85 -0.550 -15.675 -6.861 1.00 0.00 C ATOM 1188 C SER A 85 -1.272 -16.936 -7.327 1.00 0.00 C ATOM 1189 O SER A 85 -1.971 -16.913 -8.339 1.00 0.00 O ATOM 1190 CB SER A 85 -1.321 -14.438 -7.328 1.00 0.00 C ATOM 1191 OG SER A 85 -0.491 -13.566 -8.075 1.00 0.00 O ATOM 0 H SER A 85 1.533 -15.687 -6.617 1.00 0.00 H new ATOM 0 HA SER A 85 -0.509 -15.700 -5.772 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.171 -14.745 -7.937 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.723 -13.909 -6.464 1.00 0.00 H new ATOM 0 HG SER A 85 -0.495 -13.837 -9.017 1.00 0.00 H new ATOM 1197 N ALA A 86 -1.110 -18.025 -6.566 1.00 0.00 N ATOM 1198 CA ALA A 86 -1.758 -19.305 -6.879 1.00 0.00 C ATOM 1199 C ALA A 86 -0.896 -20.486 -6.447 1.00 0.00 C ATOM 1200 O ALA A 86 0.026 -20.879 -7.161 1.00 0.00 O ATOM 1201 CB ALA A 86 -2.062 -19.415 -8.366 1.00 0.00 C ATOM 0 H ALA A 86 -0.533 -18.045 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.694 -19.334 -6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.541 -20.372 -8.569 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.729 -18.605 -8.662 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.134 -19.346 -8.933 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.202 -21.060 -5.286 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.443 -22.202 -4.796 1.00 0.00 C ATOM 1209 C CYS A 87 -0.602 -23.393 -5.733 1.00 0.00 C ATOM 1210 O CYS A 87 -1.528 -23.439 -6.543 1.00 0.00 O ATOM 1211 CB CYS A 87 -0.880 -22.593 -3.382 1.00 0.00 C ATOM 1212 SG CYS A 87 0.366 -23.574 -2.482 1.00 0.00 S ATOM 0 H CYS A 87 -1.961 -20.756 -4.675 1.00 0.00 H new ATOM 0 HA CYS A 87 0.607 -21.911 -4.764 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.098 -21.688 -2.814 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.807 -23.164 -3.441 1.00 0.00 H new ATOM 1217 N ILE A 88 0.309 -24.354 -5.622 1.00 0.00 N ATOM 1218 CA ILE A 88 0.267 -25.542 -6.465 1.00 0.00 C ATOM 1219 C ILE A 88 0.520 -26.805 -5.650 1.00 0.00 C ATOM 1220 O ILE A 88 1.119 -26.694 -4.558 1.00 0.00 O ATOM 1221 CB ILE A 88 1.304 -25.459 -7.601 1.00 0.00 C ATOM 1222 CG1 ILE A 88 1.267 -24.073 -8.253 1.00 0.00 C ATOM 1223 CG2 ILE A 88 1.047 -26.549 -8.630 1.00 0.00 C ATOM 1224 CD1 ILE A 88 1.785 -24.054 -9.675 1.00 0.00 C ATOM 1225 OXT ILE A 88 0.117 -27.895 -6.108 1.00 0.00 O ATOM 0 H ILE A 88 1.083 -24.333 -4.958 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.732 -25.589 -6.898 1.00 0.00 H new ATOM 0 HB ILE A 88 2.299 -25.613 -7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.241 -23.705 -8.245 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.858 -23.383 -7.651 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.787 -26.479 -9.427 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.121 -27.526 -8.152 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.049 -26.425 -9.050 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.728 -23.040 -10.070 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.822 -24.391 -9.689 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.179 -24.718 -10.292 1.00 0.00 H new