USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 827 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 2 GLN : amide:sc= -0.319 K(o=-0.83,f=-3.3!) USER MOD Set 1.2: A 6 THR OG1 : rot 23:sc= 0.15 USER MOD Set 1.3: A 99 HIS : no HE2:sc= -0.665 X(o=-0.83,f=-0.59) USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0211) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -160:sc=-0.00538 (180deg=-0.138) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 13 THR OG1 : rot 19:sc= 0.908 USER MOD Single : A 15 THR OG1 : rot 117:sc= 0.0521 USER MOD Single : A 22 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.61!) USER MOD Single : A 24 MET CE :methyl -159:sc= -2.4! (180deg=-2.86!) USER MOD Single : A 26 THR OG1 : rot 88:sc= 0.277 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 158:sc=-0.00847 (180deg=-0.211) USER MOD Single : A 35 ASN : amide:sc= -7.61! C(o=-7.6!,f=-12!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.00237 USER MOD Single : A 60 SER OG : rot 85:sc= -2.32 USER MOD Single : A 61 ASN : amide:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0326 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 147:sc= -0.0203 (180deg=-0.0615) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 20:sc= 0.54 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -2.28! C(o=-2.3!,f=-5.2!) USER MOD Single : A 89 CYS SG : rot 180:sc= -2.29! USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -5.698 12.220 1.622 1.00 0.00 N ATOM 21 CA GLN A 2 -5.317 10.818 1.264 1.00 0.00 C ATOM 22 C GLN A 2 -6.507 10.109 0.614 1.00 0.00 C ATOM 23 O GLN A 2 -7.555 9.967 1.220 1.00 0.00 O ATOM 24 CB GLN A 2 -4.902 10.068 2.534 1.00 0.00 C ATOM 25 CG GLN A 2 -3.377 10.136 2.702 1.00 0.00 C ATOM 26 CD GLN A 2 -2.836 8.751 3.060 1.00 0.00 C ATOM 27 OE1 GLN A 2 -2.787 7.870 2.225 1.00 0.00 O ATOM 28 NE2 GLN A 2 -2.420 8.521 4.275 1.00 0.00 N ATOM 0 HA GLN A 2 -4.484 10.835 0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.393 10.506 3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.225 9.029 2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.915 10.490 1.780 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.119 10.851 3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.461 9.260 4.977 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.054 7.602 4.523 1.00 0.00 H new ATOM 37 N ASP A 3 -6.342 9.671 -0.618 1.00 0.00 N ATOM 38 CA ASP A 3 -7.447 8.967 -1.344 1.00 0.00 C ATOM 39 C ASP A 3 -6.862 7.814 -2.175 1.00 0.00 C ATOM 40 O ASP A 3 -5.747 7.377 -1.939 1.00 0.00 O ATOM 41 CB ASP A 3 -8.162 9.962 -2.265 1.00 0.00 C ATOM 42 CG ASP A 3 -8.575 11.200 -1.464 1.00 0.00 C ATOM 43 OD1 ASP A 3 -7.695 11.952 -1.078 1.00 0.00 O ATOM 44 OD2 ASP A 3 -9.763 11.373 -1.249 1.00 0.00 O ATOM 0 H ASP A 3 -5.480 9.774 -1.153 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.160 8.563 -0.625 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.505 10.250 -3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.041 9.495 -2.710 1.00 0.00 H new ATOM 49 N TRP A 4 -7.612 7.327 -3.147 1.00 0.00 N ATOM 50 CA TRP A 4 -7.140 6.201 -4.024 1.00 0.00 C ATOM 51 C TRP A 4 -5.768 6.552 -4.626 1.00 0.00 C ATOM 52 O TRP A 4 -4.951 5.679 -4.865 1.00 0.00 O ATOM 53 CB TRP A 4 -8.171 5.984 -5.145 1.00 0.00 C ATOM 54 CG TRP A 4 -7.694 4.955 -6.129 1.00 0.00 C ATOM 55 CD1 TRP A 4 -7.346 5.214 -7.411 1.00 0.00 C ATOM 56 CD2 TRP A 4 -7.515 3.522 -5.941 1.00 0.00 C ATOM 57 NE1 TRP A 4 -6.964 4.035 -8.019 1.00 0.00 N ATOM 58 CE2 TRP A 4 -7.049 2.963 -7.155 1.00 0.00 C ATOM 59 CE3 TRP A 4 -7.707 2.662 -4.849 1.00 0.00 C ATOM 60 CZ2 TRP A 4 -6.785 1.599 -7.279 1.00 0.00 C ATOM 61 CZ3 TRP A 4 -7.441 1.287 -4.970 1.00 0.00 C ATOM 62 CH2 TRP A 4 -6.980 0.758 -6.183 1.00 0.00 C ATOM 0 H TRP A 4 -8.546 7.670 -3.370 1.00 0.00 H new ATOM 0 HA TRP A 4 -7.039 5.288 -3.438 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -9.120 5.666 -4.713 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -8.355 6.926 -5.661 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -7.364 6.186 -7.882 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -6.656 3.965 -8.989 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -8.061 3.059 -3.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.432 1.197 -8.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.593 0.634 -4.123 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -6.776 -0.299 -6.269 1.00 0.00 H new ATOM 73 N ALA A 5 -5.527 7.823 -4.873 1.00 0.00 N ATOM 74 CA ALA A 5 -4.223 8.261 -5.466 1.00 0.00 C ATOM 75 C ALA A 5 -3.084 7.932 -4.499 1.00 0.00 C ATOM 76 O ALA A 5 -2.064 7.376 -4.895 1.00 0.00 O ATOM 77 CB ALA A 5 -4.257 9.772 -5.718 1.00 0.00 C ATOM 0 H ALA A 5 -6.186 8.579 -4.686 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.061 7.738 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.308 10.090 -6.149 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.067 10.008 -6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.420 10.294 -4.775 1.00 0.00 H new ATOM 83 N THR A 6 -3.260 8.259 -3.235 1.00 0.00 N ATOM 84 CA THR A 6 -2.206 7.969 -2.217 1.00 0.00 C ATOM 85 C THR A 6 -2.117 6.460 -2.042 1.00 0.00 C ATOM 86 O THR A 6 -1.042 5.894 -2.063 1.00 0.00 O ATOM 87 CB THR A 6 -2.564 8.629 -0.881 1.00 0.00 C ATOM 88 OG1 THR A 6 -3.973 8.620 -0.698 1.00 0.00 O ATOM 89 CG2 THR A 6 -2.052 10.071 -0.872 1.00 0.00 C ATOM 0 H THR A 6 -4.095 8.716 -2.869 1.00 0.00 H new ATOM 0 HA THR A 6 -1.248 8.368 -2.549 1.00 0.00 H new ATOM 0 HB THR A 6 -2.097 8.072 -0.069 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.369 7.909 -1.244 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.306 10.541 0.078 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.970 10.074 -1.000 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.515 10.627 -1.687 1.00 0.00 H new ATOM 97 N PHE A 7 -3.254 5.814 -1.899 1.00 0.00 N ATOM 98 CA PHE A 7 -3.293 4.323 -1.743 1.00 0.00 C ATOM 99 C PHE A 7 -2.623 3.679 -2.969 1.00 0.00 C ATOM 100 O PHE A 7 -2.069 2.596 -2.878 1.00 0.00 O ATOM 101 CB PHE A 7 -4.768 3.879 -1.635 1.00 0.00 C ATOM 102 CG PHE A 7 -4.887 2.370 -1.711 1.00 0.00 C ATOM 103 CD1 PHE A 7 -4.603 1.582 -0.590 1.00 0.00 C ATOM 104 CD2 PHE A 7 -5.277 1.763 -2.910 1.00 0.00 C ATOM 105 CE1 PHE A 7 -4.709 0.188 -0.670 1.00 0.00 C ATOM 106 CE2 PHE A 7 -5.383 0.370 -2.990 1.00 0.00 C ATOM 107 CZ PHE A 7 -5.098 -0.418 -1.871 1.00 0.00 C ATOM 0 H PHE A 7 -4.169 6.265 -1.884 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.759 4.012 -0.845 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.191 4.234 -0.695 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.348 4.334 -2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.302 2.049 0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.497 2.371 -3.775 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.491 -0.420 0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.685 -0.096 -3.916 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.178 -1.493 -1.933 1.00 0.00 H new ATOM 117 N LYS A 8 -2.673 4.347 -4.103 1.00 0.00 N ATOM 118 CA LYS A 8 -2.044 3.803 -5.345 1.00 0.00 C ATOM 119 C LYS A 8 -0.533 3.705 -5.136 1.00 0.00 C ATOM 120 O LYS A 8 0.066 2.665 -5.355 1.00 0.00 O ATOM 121 CB LYS A 8 -2.341 4.742 -6.520 1.00 0.00 C ATOM 122 CG LYS A 8 -2.286 3.964 -7.843 1.00 0.00 C ATOM 123 CD LYS A 8 -3.684 3.891 -8.463 1.00 0.00 C ATOM 124 CE LYS A 8 -4.115 5.288 -8.915 1.00 0.00 C ATOM 125 NZ LYS A 8 -3.477 5.601 -10.226 1.00 0.00 N ATOM 0 H LYS A 8 -3.128 5.253 -4.217 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.449 2.815 -5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.325 5.194 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.617 5.556 -6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.598 4.451 -8.533 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.903 2.959 -7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.682 3.207 -9.312 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.395 3.496 -7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.200 5.335 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.825 6.029 -8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.833 6.513 -10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.445 5.656 -10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.707 4.853 -10.911 1.00 0.00 H new ATOM 139 N LYS A 9 0.077 4.786 -4.706 1.00 0.00 N ATOM 140 CA LYS A 9 1.557 4.792 -4.468 1.00 0.00 C ATOM 141 C LYS A 9 1.882 4.134 -3.122 1.00 0.00 C ATOM 142 O LYS A 9 3.001 3.703 -2.895 1.00 0.00 O ATOM 143 CB LYS A 9 2.057 6.237 -4.441 1.00 0.00 C ATOM 144 CG LYS A 9 2.180 6.769 -5.869 1.00 0.00 C ATOM 145 CD LYS A 9 2.764 8.182 -5.835 1.00 0.00 C ATOM 146 CE LYS A 9 2.667 8.810 -7.227 1.00 0.00 C ATOM 147 NZ LYS A 9 3.948 8.598 -7.960 1.00 0.00 N ATOM 0 H LYS A 9 -0.391 5.670 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 9 2.044 4.236 -5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.368 6.859 -3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.024 6.288 -3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.820 6.113 -6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.202 6.779 -6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.224 8.792 -5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.804 8.149 -5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.841 8.365 -7.781 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.456 9.876 -7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.881 9.025 -8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.727 9.043 -7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.130 7.578 -8.053 1.00 0.00 H new ATOM 161 N LYS A 10 0.921 4.092 -2.223 1.00 0.00 N ATOM 162 CA LYS A 10 1.152 3.509 -0.866 1.00 0.00 C ATOM 163 C LYS A 10 1.014 1.983 -0.850 1.00 0.00 C ATOM 164 O LYS A 10 1.872 1.301 -0.313 1.00 0.00 O ATOM 165 CB LYS A 10 0.139 4.114 0.110 1.00 0.00 C ATOM 166 CG LYS A 10 0.773 5.306 0.832 1.00 0.00 C ATOM 167 CD LYS A 10 -0.252 5.953 1.764 1.00 0.00 C ATOM 168 CE LYS A 10 0.468 6.536 2.982 1.00 0.00 C ATOM 169 NZ LYS A 10 0.838 5.432 3.914 1.00 0.00 N ATOM 0 H LYS A 10 -0.024 4.443 -2.379 1.00 0.00 H new ATOM 0 HA LYS A 10 2.174 3.747 -0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.753 4.434 -0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.177 3.363 0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.641 4.977 1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.128 6.036 0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.794 6.738 1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.989 5.215 2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.361 7.075 2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.176 7.255 3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.009 5.822 4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.063 4.740 3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.701 4.963 3.572 1.00 0.00 H new ATOM 183 N HIS A 11 -0.072 1.448 -1.369 1.00 0.00 N ATOM 184 CA HIS A 11 -0.280 -0.037 -1.305 1.00 0.00 C ATOM 185 C HIS A 11 -0.422 -0.686 -2.686 1.00 0.00 C ATOM 186 O HIS A 11 -0.760 -1.855 -2.757 1.00 0.00 O ATOM 187 CB HIS A 11 -1.547 -0.314 -0.499 1.00 0.00 C ATOM 188 CG HIS A 11 -1.211 -0.376 0.965 1.00 0.00 C ATOM 189 ND1 HIS A 11 -1.140 0.760 1.756 1.00 0.00 N ATOM 190 CD2 HIS A 11 -0.929 -1.430 1.797 1.00 0.00 C ATOM 191 CE1 HIS A 11 -0.827 0.366 3.003 1.00 0.00 C ATOM 192 NE2 HIS A 11 -0.687 -0.960 3.083 1.00 0.00 N ATOM 0 H HIS A 11 -0.816 1.972 -1.830 1.00 0.00 H new ATOM 0 HA HIS A 11 0.603 -0.470 -0.836 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.284 0.469 -0.680 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.996 -1.254 -0.819 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.899 -2.467 1.498 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.704 1.040 3.838 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.453 -1.510 3.910 1.00 0.00 H new ATOM 200 N LEU A 12 -0.176 0.027 -3.771 1.00 0.00 N ATOM 201 CA LEU A 12 -0.315 -0.617 -5.126 1.00 0.00 C ATOM 202 C LEU A 12 0.986 -0.520 -5.923 1.00 0.00 C ATOM 203 O LEU A 12 1.596 0.532 -6.018 1.00 0.00 O ATOM 204 CB LEU A 12 -1.446 0.038 -5.928 1.00 0.00 C ATOM 205 CG LEU A 12 -2.733 0.072 -5.101 1.00 0.00 C ATOM 206 CD1 LEU A 12 -3.829 0.776 -5.906 1.00 0.00 C ATOM 207 CD2 LEU A 12 -3.178 -1.361 -4.784 1.00 0.00 C ATOM 0 H LEU A 12 0.109 1.006 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.551 -1.668 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.161 1.051 -6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.614 -0.516 -6.852 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.554 0.610 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.749 0.803 -5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.515 1.794 -6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.005 0.232 -6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.095 -1.335 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.359 -1.900 -5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.397 -1.868 -4.217 1.00 0.00 H new ATOM 219 N THR A 13 1.387 -1.630 -6.510 1.00 0.00 N ATOM 220 CA THR A 13 2.630 -1.671 -7.341 1.00 0.00 C ATOM 221 C THR A 13 2.405 -2.637 -8.509 1.00 0.00 C ATOM 222 O THR A 13 1.583 -3.537 -8.421 1.00 0.00 O ATOM 223 CB THR A 13 3.808 -2.153 -6.487 1.00 0.00 C ATOM 224 OG1 THR A 13 3.384 -3.221 -5.651 1.00 0.00 O ATOM 225 CG2 THR A 13 4.323 -0.998 -5.624 1.00 0.00 C ATOM 0 H THR A 13 0.894 -2.520 -6.444 1.00 0.00 H new ATOM 0 HA THR A 13 2.857 -0.675 -7.721 1.00 0.00 H new ATOM 0 HB THR A 13 4.609 -2.501 -7.139 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.557 -3.607 -6.008 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.161 -1.342 -5.017 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.652 -0.182 -6.267 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.523 -0.646 -4.972 1.00 0.00 H new ATOM 233 N ASP A 14 3.123 -2.450 -9.599 1.00 0.00 N ATOM 234 CA ASP A 14 2.961 -3.346 -10.792 1.00 0.00 C ATOM 235 C ASP A 14 4.227 -4.195 -10.985 1.00 0.00 C ATOM 236 O ASP A 14 4.512 -4.658 -12.080 1.00 0.00 O ATOM 237 CB ASP A 14 2.710 -2.492 -12.041 1.00 0.00 C ATOM 238 CG ASP A 14 3.797 -1.422 -12.162 1.00 0.00 C ATOM 239 OD1 ASP A 14 4.957 -1.790 -12.240 1.00 0.00 O ATOM 240 OD2 ASP A 14 3.451 -0.252 -12.175 1.00 0.00 O ATOM 0 H ASP A 14 3.817 -1.711 -9.711 1.00 0.00 H new ATOM 0 HA ASP A 14 2.112 -4.011 -10.632 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.707 -3.123 -12.930 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.729 -2.022 -11.980 1.00 0.00 H new ATOM 245 N THR A 15 4.975 -4.405 -9.922 1.00 0.00 N ATOM 246 CA THR A 15 6.225 -5.225 -10.002 1.00 0.00 C ATOM 247 C THR A 15 6.584 -5.730 -8.605 1.00 0.00 C ATOM 248 O THR A 15 6.359 -5.042 -7.622 1.00 0.00 O ATOM 249 CB THR A 15 7.370 -4.359 -10.532 1.00 0.00 C ATOM 250 OG1 THR A 15 7.333 -3.090 -9.895 1.00 0.00 O ATOM 251 CG2 THR A 15 7.221 -4.180 -12.042 1.00 0.00 C ATOM 0 H THR A 15 4.767 -4.037 -8.994 1.00 0.00 H new ATOM 0 HA THR A 15 6.065 -6.070 -10.672 1.00 0.00 H new ATOM 0 HB THR A 15 8.323 -4.845 -10.321 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.151 -2.963 -9.371 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.037 -3.563 -12.418 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.250 -5.155 -12.529 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.270 -3.694 -12.259 1.00 0.00 H new ATOM 259 N TRP A 16 7.146 -6.919 -8.515 1.00 0.00 N ATOM 260 CA TRP A 16 7.536 -7.478 -7.185 1.00 0.00 C ATOM 261 C TRP A 16 8.657 -6.612 -6.616 1.00 0.00 C ATOM 262 O TRP A 16 8.677 -6.301 -5.436 1.00 0.00 O ATOM 263 CB TRP A 16 8.027 -8.919 -7.348 1.00 0.00 C ATOM 264 CG TRP A 16 7.668 -9.711 -6.129 1.00 0.00 C ATOM 265 CD1 TRP A 16 7.879 -9.317 -4.851 1.00 0.00 C ATOM 266 CD2 TRP A 16 7.039 -11.025 -6.052 1.00 0.00 C ATOM 267 NE1 TRP A 16 7.416 -10.302 -3.996 1.00 0.00 N ATOM 268 CE2 TRP A 16 6.891 -11.375 -4.690 1.00 0.00 C ATOM 269 CE3 TRP A 16 6.586 -11.936 -7.024 1.00 0.00 C ATOM 270 CZ2 TRP A 16 6.316 -12.586 -4.303 1.00 0.00 C ATOM 271 CZ3 TRP A 16 6.007 -13.156 -6.638 1.00 0.00 C ATOM 272 CH2 TRP A 16 5.872 -13.479 -5.282 1.00 0.00 C ATOM 0 H TRP A 16 7.349 -7.523 -9.311 1.00 0.00 H new ATOM 0 HA TRP A 16 6.679 -7.478 -6.512 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.577 -9.370 -8.233 1.00 0.00 H new ATOM 0 HB3 TRP A 16 9.107 -8.932 -7.498 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.334 -8.386 -4.548 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.457 -10.243 -2.979 1.00 0.00 H new ATOM 0 HE3 TRP A 16 6.684 -11.696 -8.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 6.215 -12.831 -3.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 5.664 -13.849 -7.392 1.00 0.00 H new ATOM 0 HH2 TRP A 16 5.425 -14.418 -4.993 1.00 0.00 H new ATOM 283 N ASP A 17 9.573 -6.207 -7.469 1.00 0.00 N ATOM 284 CA ASP A 17 10.704 -5.332 -7.035 1.00 0.00 C ATOM 285 C ASP A 17 10.283 -3.876 -7.239 1.00 0.00 C ATOM 286 O ASP A 17 10.141 -3.426 -8.365 1.00 0.00 O ATOM 287 CB ASP A 17 11.942 -5.625 -7.886 1.00 0.00 C ATOM 288 CG ASP A 17 12.791 -6.699 -7.204 1.00 0.00 C ATOM 289 OD1 ASP A 17 12.394 -7.853 -7.239 1.00 0.00 O ATOM 290 OD2 ASP A 17 13.828 -6.351 -6.662 1.00 0.00 O ATOM 0 H ASP A 17 9.581 -6.451 -8.459 1.00 0.00 H new ATOM 0 HA ASP A 17 10.943 -5.519 -5.988 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.642 -5.960 -8.879 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.527 -4.715 -8.020 1.00 0.00 H new ATOM 295 N VAL A 18 10.067 -3.150 -6.162 1.00 0.00 N ATOM 296 CA VAL A 18 9.632 -1.726 -6.274 1.00 0.00 C ATOM 297 C VAL A 18 10.852 -0.810 -6.341 1.00 0.00 C ATOM 298 O VAL A 18 11.911 -1.127 -5.824 1.00 0.00 O ATOM 299 CB VAL A 18 8.776 -1.356 -5.060 1.00 0.00 C ATOM 300 CG1 VAL A 18 8.264 0.081 -5.201 1.00 0.00 C ATOM 301 CG2 VAL A 18 7.584 -2.309 -4.980 1.00 0.00 C ATOM 0 H VAL A 18 10.176 -3.490 -5.207 1.00 0.00 H new ATOM 0 HA VAL A 18 9.045 -1.602 -7.184 1.00 0.00 H new ATOM 0 HB VAL A 18 9.379 -1.435 -4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.656 0.337 -4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.111 0.764 -5.265 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.661 0.165 -6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.970 -2.051 -4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.988 -2.223 -5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.943 -3.333 -4.877 1.00 0.00 H new ATOM 311 N ASP A 19 10.685 0.328 -6.968 1.00 0.00 N ATOM 312 CA ASP A 19 11.796 1.319 -7.089 1.00 0.00 C ATOM 313 C ASP A 19 11.752 2.246 -5.864 1.00 0.00 C ATOM 314 O ASP A 19 11.538 3.447 -5.964 1.00 0.00 O ATOM 315 CB ASP A 19 11.624 2.113 -8.391 1.00 0.00 C ATOM 316 CG ASP A 19 11.613 1.144 -9.576 1.00 0.00 C ATOM 317 OD1 ASP A 19 12.557 0.380 -9.700 1.00 0.00 O ATOM 318 OD2 ASP A 19 10.661 1.181 -10.337 1.00 0.00 O ATOM 0 H ASP A 19 9.811 0.616 -7.408 1.00 0.00 H new ATOM 0 HA ASP A 19 12.764 0.819 -7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.695 2.682 -8.363 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.436 2.832 -8.502 1.00 0.00 H new ATOM 323 N CYS A 20 11.940 1.664 -4.701 1.00 0.00 N ATOM 324 CA CYS A 20 11.906 2.432 -3.420 1.00 0.00 C ATOM 325 C CYS A 20 12.973 3.527 -3.422 1.00 0.00 C ATOM 326 O CYS A 20 12.802 4.563 -2.798 1.00 0.00 O ATOM 327 CB CYS A 20 12.151 1.459 -2.269 1.00 0.00 C ATOM 328 SG CYS A 20 10.580 0.660 -1.855 1.00 0.00 S ATOM 0 H CYS A 20 12.119 0.666 -4.588 1.00 0.00 H new ATOM 0 HA CYS A 20 10.934 2.912 -3.304 1.00 0.00 H new ATOM 0 HB2 CYS A 20 12.893 0.713 -2.554 1.00 0.00 H new ATOM 0 HB3 CYS A 20 12.548 1.988 -1.403 1.00 0.00 H new ATOM 333 N ASP A 21 14.065 3.301 -4.115 1.00 0.00 N ATOM 334 CA ASP A 21 15.165 4.315 -4.176 1.00 0.00 C ATOM 335 C ASP A 21 14.738 5.523 -5.025 1.00 0.00 C ATOM 336 O ASP A 21 15.315 6.593 -4.907 1.00 0.00 O ATOM 337 CB ASP A 21 16.418 3.674 -4.779 1.00 0.00 C ATOM 338 CG ASP A 21 16.088 3.085 -6.152 1.00 0.00 C ATOM 339 OD1 ASP A 21 16.074 3.839 -7.111 1.00 0.00 O ATOM 340 OD2 ASP A 21 15.859 1.889 -6.221 1.00 0.00 O ATOM 0 H ASP A 21 14.242 2.448 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 21 15.382 4.661 -3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.209 4.418 -4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.792 2.892 -4.118 1.00 0.00 H new ATOM 345 N ASN A 22 13.740 5.360 -5.876 1.00 0.00 N ATOM 346 CA ASN A 22 13.268 6.494 -6.742 1.00 0.00 C ATOM 347 C ASN A 22 11.999 7.118 -6.147 1.00 0.00 C ATOM 348 O ASN A 22 11.718 8.286 -6.366 1.00 0.00 O ATOM 349 CB ASN A 22 12.960 5.970 -8.148 1.00 0.00 C ATOM 350 CG ASN A 22 12.968 7.133 -9.146 1.00 0.00 C ATOM 351 OD1 ASN A 22 12.455 8.197 -8.863 1.00 0.00 O ATOM 352 ND2 ASN A 22 13.533 6.972 -10.312 1.00 0.00 N ATOM 0 H ASN A 22 13.233 4.485 -6.005 1.00 0.00 H new ATOM 0 HA ASN A 22 14.051 7.251 -6.793 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.700 5.224 -8.439 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.988 5.476 -8.158 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.543 7.739 -10.984 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.964 6.079 -10.551 1.00 0.00 H new ATOM 359 N LEU A 23 11.227 6.338 -5.419 1.00 0.00 N ATOM 360 CA LEU A 23 9.954 6.844 -4.812 1.00 0.00 C ATOM 361 C LEU A 23 10.193 7.388 -3.402 1.00 0.00 C ATOM 362 O LEU A 23 9.363 8.111 -2.882 1.00 0.00 O ATOM 363 CB LEU A 23 8.952 5.686 -4.729 1.00 0.00 C ATOM 364 CG LEU A 23 8.119 5.591 -6.017 1.00 0.00 C ATOM 365 CD1 LEU A 23 7.225 6.828 -6.153 1.00 0.00 C ATOM 366 CD2 LEU A 23 9.041 5.474 -7.240 1.00 0.00 C ATOM 0 H LEU A 23 11.431 5.359 -5.219 1.00 0.00 H new ATOM 0 HA LEU A 23 9.569 7.650 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.485 4.749 -4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.292 5.831 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 23 7.492 4.701 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.638 6.754 -7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.555 6.889 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.846 7.723 -6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.438 5.407 -8.145 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.684 6.352 -7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.656 4.579 -7.147 1.00 0.00 H new ATOM 378 N MET A 24 11.299 7.035 -2.779 1.00 0.00 N ATOM 379 CA MET A 24 11.578 7.510 -1.386 1.00 0.00 C ATOM 380 C MET A 24 11.980 9.007 -1.298 1.00 0.00 C ATOM 381 O MET A 24 11.719 9.606 -0.268 1.00 0.00 O ATOM 382 CB MET A 24 12.668 6.633 -0.740 1.00 0.00 C ATOM 383 CG MET A 24 14.031 6.863 -1.402 1.00 0.00 C ATOM 384 SD MET A 24 15.339 6.204 -0.340 1.00 0.00 S ATOM 385 CE MET A 24 16.578 7.477 -0.685 1.00 0.00 C ATOM 0 H MET A 24 12.021 6.436 -3.180 1.00 0.00 H new ATOM 0 HA MET A 24 10.639 7.416 -0.840 1.00 0.00 H new ATOM 0 HB2 MET A 24 12.735 6.858 0.324 1.00 0.00 H new ATOM 0 HB3 MET A 24 12.392 5.582 -0.827 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.060 6.376 -2.377 1.00 0.00 H new ATOM 0 HG3 MET A 24 14.189 7.928 -1.573 1.00 0.00 H new ATOM 0 HE1 MET A 24 17.570 7.094 -0.445 1.00 0.00 H new ATOM 0 HE2 MET A 24 16.539 7.746 -1.740 1.00 0.00 H new ATOM 0 HE3 MET A 24 16.373 8.359 -0.078 1.00 0.00 H new ATOM 395 N PRO A 25 12.623 9.587 -2.318 1.00 0.00 N ATOM 396 CA PRO A 25 13.057 10.999 -2.243 1.00 0.00 C ATOM 397 C PRO A 25 11.921 11.979 -2.578 1.00 0.00 C ATOM 398 O PRO A 25 12.089 13.179 -2.423 1.00 0.00 O ATOM 399 CB PRO A 25 14.159 11.097 -3.299 1.00 0.00 C ATOM 400 CG PRO A 25 13.909 9.950 -4.304 1.00 0.00 C ATOM 401 CD PRO A 25 12.985 8.936 -3.605 1.00 0.00 C ATOM 0 HA PRO A 25 13.384 11.264 -1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.131 12.065 -3.800 1.00 0.00 H new ATOM 0 HB3 PRO A 25 15.144 11.004 -2.841 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.447 10.329 -5.215 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.848 9.480 -4.595 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.100 8.725 -4.206 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.492 7.985 -3.440 1.00 0.00 H new ATOM 409 N THR A 26 10.783 11.493 -3.039 1.00 0.00 N ATOM 410 CA THR A 26 9.652 12.411 -3.392 1.00 0.00 C ATOM 411 C THR A 26 9.031 12.974 -2.111 1.00 0.00 C ATOM 412 O THR A 26 9.468 12.676 -1.012 1.00 0.00 O ATOM 413 CB THR A 26 8.568 11.666 -4.196 1.00 0.00 C ATOM 414 OG1 THR A 26 9.120 10.511 -4.820 1.00 0.00 O ATOM 415 CG2 THR A 26 7.997 12.595 -5.273 1.00 0.00 C ATOM 0 H THR A 26 10.594 10.501 -3.184 1.00 0.00 H new ATOM 0 HA THR A 26 10.046 13.221 -4.005 1.00 0.00 H new ATOM 0 HB THR A 26 7.776 11.359 -3.513 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.075 9.752 -4.202 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.231 12.067 -5.840 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.557 13.473 -4.800 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.796 12.907 -5.946 1.00 0.00 H new ATOM 423 N SER A 27 8.012 13.786 -2.268 1.00 0.00 N ATOM 424 CA SER A 27 7.314 14.402 -1.092 1.00 0.00 C ATOM 425 C SER A 27 6.285 13.422 -0.521 1.00 0.00 C ATOM 426 O SER A 27 5.897 13.531 0.631 1.00 0.00 O ATOM 427 CB SER A 27 6.602 15.681 -1.535 1.00 0.00 C ATOM 428 OG SER A 27 7.491 16.472 -2.314 1.00 0.00 O ATOM 0 H SER A 27 7.628 14.052 -3.175 1.00 0.00 H new ATOM 0 HA SER A 27 8.051 14.637 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.714 15.433 -2.116 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.266 16.243 -0.664 1.00 0.00 H new ATOM 0 HG SER A 27 7.035 17.291 -2.600 1.00 0.00 H new ATOM 434 N LEU A 28 5.845 12.469 -1.321 1.00 0.00 N ATOM 435 CA LEU A 28 4.840 11.468 -0.849 1.00 0.00 C ATOM 436 C LEU A 28 5.509 10.548 0.165 1.00 0.00 C ATOM 437 O LEU A 28 4.939 10.231 1.196 1.00 0.00 O ATOM 438 CB LEU A 28 4.342 10.643 -2.040 1.00 0.00 C ATOM 439 CG LEU A 28 3.234 9.691 -1.580 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.868 10.342 -1.820 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.325 8.382 -2.372 1.00 0.00 C ATOM 0 H LEU A 28 6.146 12.347 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 28 3.993 11.977 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.966 11.304 -2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.166 10.076 -2.472 1.00 0.00 H new ATOM 0 HG LEU A 28 3.353 9.481 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.079 9.664 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.804 11.272 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.747 10.553 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.537 7.704 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.206 8.591 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.297 7.919 -2.199 1.00 0.00 H new ATOM 453 N PHE A 29 6.718 10.131 -0.132 1.00 0.00 N ATOM 454 CA PHE A 29 7.471 9.234 0.792 1.00 0.00 C ATOM 455 C PHE A 29 8.399 10.081 1.662 1.00 0.00 C ATOM 456 O PHE A 29 8.602 9.784 2.826 1.00 0.00 O ATOM 457 CB PHE A 29 8.292 8.239 -0.026 1.00 0.00 C ATOM 458 CG PHE A 29 7.395 7.114 -0.485 1.00 0.00 C ATOM 459 CD1 PHE A 29 7.051 6.085 0.402 1.00 0.00 C ATOM 460 CD2 PHE A 29 6.905 7.101 -1.796 1.00 0.00 C ATOM 461 CE1 PHE A 29 6.218 5.046 -0.023 1.00 0.00 C ATOM 462 CE2 PHE A 29 6.072 6.059 -2.221 1.00 0.00 C ATOM 463 CZ PHE A 29 5.729 5.032 -1.334 1.00 0.00 C ATOM 0 H PHE A 29 7.217 10.379 -0.986 1.00 0.00 H new ATOM 0 HA PHE A 29 6.776 8.686 1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.739 8.738 -0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.112 7.845 0.575 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.429 6.095 1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.169 7.894 -2.479 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.952 4.254 0.661 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.694 6.048 -3.233 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.086 4.228 -1.662 1.00 0.00 H new ATOM 473 N ASP A 30 8.949 11.140 1.090 1.00 0.00 N ATOM 474 CA ASP A 30 9.878 12.071 1.834 1.00 0.00 C ATOM 475 C ASP A 30 10.834 11.288 2.767 1.00 0.00 C ATOM 476 O ASP A 30 10.993 11.610 3.938 1.00 0.00 O ATOM 477 CB ASP A 30 9.041 13.083 2.637 1.00 0.00 C ATOM 478 CG ASP A 30 8.125 12.348 3.619 1.00 0.00 C ATOM 479 OD1 ASP A 30 8.625 11.865 4.622 1.00 0.00 O ATOM 480 OD2 ASP A 30 6.935 12.285 3.356 1.00 0.00 O ATOM 0 H ASP A 30 8.789 11.403 0.118 1.00 0.00 H new ATOM 0 HA ASP A 30 10.497 12.602 1.111 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.699 13.761 3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.445 13.693 1.958 1.00 0.00 H new ATOM 485 N CYS A 31 11.469 10.260 2.237 1.00 0.00 N ATOM 486 CA CYS A 31 12.417 9.430 3.052 1.00 0.00 C ATOM 487 C CYS A 31 11.662 8.844 4.264 1.00 0.00 C ATOM 488 O CYS A 31 12.115 8.917 5.400 1.00 0.00 O ATOM 489 CB CYS A 31 13.587 10.313 3.515 1.00 0.00 C ATOM 490 SG CYS A 31 15.029 10.006 2.464 1.00 0.00 S ATOM 0 H CYS A 31 11.368 9.961 1.267 1.00 0.00 H new ATOM 0 HA CYS A 31 12.812 8.608 2.455 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.305 11.365 3.465 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.830 10.097 4.556 1.00 0.00 H new ATOM 495 N LYS A 32 10.500 8.272 4.015 1.00 0.00 N ATOM 496 CA LYS A 32 9.668 7.681 5.120 1.00 0.00 C ATOM 497 C LYS A 32 10.383 6.474 5.744 1.00 0.00 C ATOM 498 O LYS A 32 11.510 6.160 5.399 1.00 0.00 O ATOM 499 CB LYS A 32 8.302 7.247 4.563 1.00 0.00 C ATOM 500 CG LYS A 32 7.217 8.228 5.027 1.00 0.00 C ATOM 501 CD LYS A 32 6.160 8.386 3.931 1.00 0.00 C ATOM 502 CE LYS A 32 4.792 8.633 4.571 1.00 0.00 C ATOM 503 NZ LYS A 32 4.118 7.327 4.823 1.00 0.00 N ATOM 0 H LYS A 32 10.090 8.189 3.085 1.00 0.00 H new ATOM 0 HA LYS A 32 9.522 8.436 5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.336 7.216 3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.064 6.239 4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.753 7.864 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.663 9.196 5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.422 9.217 3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.127 7.490 3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.910 9.180 5.506 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.178 9.251 3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.188 7.494 5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.993 6.821 3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.702 6.753 5.464 1.00 0.00 H new ATOM 517 N ASP A 33 9.721 5.815 6.677 1.00 0.00 N ATOM 518 CA ASP A 33 10.319 4.629 7.377 1.00 0.00 C ATOM 519 C ASP A 33 10.157 3.356 6.537 1.00 0.00 C ATOM 520 O ASP A 33 11.135 2.717 6.190 1.00 0.00 O ATOM 521 CB ASP A 33 9.626 4.431 8.729 1.00 0.00 C ATOM 522 CG ASP A 33 10.523 3.594 9.644 1.00 0.00 C ATOM 523 OD1 ASP A 33 11.336 4.179 10.341 1.00 0.00 O ATOM 524 OD2 ASP A 33 10.384 2.382 9.630 1.00 0.00 O ATOM 0 H ASP A 33 8.779 6.055 6.985 1.00 0.00 H new ATOM 0 HA ASP A 33 11.383 4.817 7.523 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.420 5.397 9.189 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.666 3.934 8.589 1.00 0.00 H new ATOM 529 N LYS A 34 8.931 2.974 6.232 1.00 0.00 N ATOM 530 CA LYS A 34 8.693 1.727 5.428 1.00 0.00 C ATOM 531 C LYS A 34 7.291 1.735 4.812 1.00 0.00 C ATOM 532 O LYS A 34 6.473 2.586 5.117 1.00 0.00 O ATOM 533 CB LYS A 34 8.833 0.498 6.335 1.00 0.00 C ATOM 534 CG LYS A 34 7.969 0.669 7.596 1.00 0.00 C ATOM 535 CD LYS A 34 7.008 -0.523 7.745 1.00 0.00 C ATOM 536 CE LYS A 34 7.073 -1.066 9.175 1.00 0.00 C ATOM 537 NZ LYS A 34 6.656 -0.003 10.132 1.00 0.00 N ATOM 0 H LYS A 34 8.086 3.475 6.507 1.00 0.00 H new ATOM 0 HA LYS A 34 9.430 1.690 4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.528 -0.398 5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.877 0.361 6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.608 0.743 8.476 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.402 1.598 7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.990 -0.213 7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.274 -1.307 7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.423 -1.935 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.086 -1.398 9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.342 -0.441 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.460 0.628 10.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.874 0.547 9.721 1.00 0.00 H new ATOM 551 N ASN A 35 7.022 0.776 3.946 1.00 0.00 N ATOM 552 CA ASN A 35 5.684 0.673 3.283 1.00 0.00 C ATOM 553 C ASN A 35 5.506 -0.748 2.734 1.00 0.00 C ATOM 554 O ASN A 35 6.457 -1.369 2.290 1.00 0.00 O ATOM 555 CB ASN A 35 5.598 1.684 2.130 1.00 0.00 C ATOM 556 CG ASN A 35 4.224 1.583 1.455 1.00 0.00 C ATOM 557 OD1 ASN A 35 3.854 0.536 0.964 1.00 0.00 O ATOM 558 ND2 ASN A 35 3.450 2.628 1.411 1.00 0.00 N ATOM 0 H ASN A 35 7.687 0.053 3.671 1.00 0.00 H new ATOM 0 HA ASN A 35 4.899 0.890 4.007 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.755 2.695 2.507 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.386 1.489 1.403 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.535 2.566 0.965 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.758 3.509 1.823 1.00 0.00 H new ATOM 565 N THR A 36 4.287 -1.250 2.752 1.00 0.00 N ATOM 566 CA THR A 36 4.006 -2.623 2.221 1.00 0.00 C ATOM 567 C THR A 36 3.160 -2.496 0.950 1.00 0.00 C ATOM 568 O THR A 36 2.005 -2.107 1.009 1.00 0.00 O ATOM 569 CB THR A 36 3.231 -3.436 3.267 1.00 0.00 C ATOM 570 OG1 THR A 36 3.710 -3.123 4.569 1.00 0.00 O ATOM 571 CG2 THR A 36 3.421 -4.930 3.000 1.00 0.00 C ATOM 0 H THR A 36 3.470 -0.759 3.116 1.00 0.00 H new ATOM 0 HA THR A 36 4.945 -3.130 1.998 1.00 0.00 H new ATOM 0 HB THR A 36 2.172 -3.187 3.202 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.212 -3.642 5.234 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.870 -5.506 3.744 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.048 -5.172 2.005 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.481 -5.179 3.061 1.00 0.00 H new ATOM 579 N PHE A 37 3.735 -2.814 -0.193 1.00 0.00 N ATOM 580 CA PHE A 37 2.985 -2.712 -1.488 1.00 0.00 C ATOM 581 C PHE A 37 2.464 -4.096 -1.892 1.00 0.00 C ATOM 582 O PHE A 37 3.005 -5.109 -1.484 1.00 0.00 O ATOM 583 CB PHE A 37 3.920 -2.191 -2.587 1.00 0.00 C ATOM 584 CG PHE A 37 4.606 -0.915 -2.141 1.00 0.00 C ATOM 585 CD1 PHE A 37 3.862 0.254 -1.924 1.00 0.00 C ATOM 586 CD2 PHE A 37 5.994 -0.900 -1.956 1.00 0.00 C ATOM 587 CE1 PHE A 37 4.507 1.431 -1.523 1.00 0.00 C ATOM 588 CE2 PHE A 37 6.638 0.278 -1.557 1.00 0.00 C ATOM 589 CZ PHE A 37 5.895 1.443 -1.340 1.00 0.00 C ATOM 0 H PHE A 37 4.697 -3.141 -0.281 1.00 0.00 H new ATOM 0 HA PHE A 37 2.148 -2.025 -1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.667 -2.948 -2.826 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.352 -2.006 -3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.791 0.247 -2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.569 -1.799 -2.121 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.933 2.330 -1.355 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.709 0.287 -1.417 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.392 2.351 -1.032 1.00 0.00 H new ATOM 599 N ILE A 38 1.419 -4.133 -2.697 1.00 0.00 N ATOM 600 CA ILE A 38 0.835 -5.429 -3.157 1.00 0.00 C ATOM 601 C ILE A 38 1.089 -5.586 -4.664 1.00 0.00 C ATOM 602 O ILE A 38 1.169 -4.602 -5.388 1.00 0.00 O ATOM 603 CB ILE A 38 -0.677 -5.433 -2.872 1.00 0.00 C ATOM 604 CG1 ILE A 38 -1.396 -4.411 -3.766 1.00 0.00 C ATOM 605 CG2 ILE A 38 -0.937 -5.087 -1.404 1.00 0.00 C ATOM 606 CD1 ILE A 38 -1.886 -5.112 -5.034 1.00 0.00 C ATOM 0 H ILE A 38 0.945 -3.304 -3.056 1.00 0.00 H new ATOM 0 HA ILE A 38 1.300 -6.260 -2.626 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.062 -6.430 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.237 -3.970 -3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.720 -3.596 -4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.010 -5.093 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.451 -5.824 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.535 -4.097 -1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.397 -4.392 -5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.035 -5.532 -5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.576 -5.912 -4.764 1.00 0.00 H new ATOM 618 N TYR A 39 1.196 -6.812 -5.131 1.00 0.00 N ATOM 619 CA TYR A 39 1.426 -7.060 -6.592 1.00 0.00 C ATOM 620 C TYR A 39 0.080 -7.374 -7.260 1.00 0.00 C ATOM 621 O TYR A 39 -0.365 -8.512 -7.280 1.00 0.00 O ATOM 622 CB TYR A 39 2.390 -8.240 -6.771 1.00 0.00 C ATOM 623 CG TYR A 39 2.690 -8.438 -8.241 1.00 0.00 C ATOM 624 CD1 TYR A 39 3.454 -7.494 -8.937 1.00 0.00 C ATOM 625 CD2 TYR A 39 2.197 -9.567 -8.906 1.00 0.00 C ATOM 626 CE1 TYR A 39 3.729 -7.682 -10.297 1.00 0.00 C ATOM 627 CE2 TYR A 39 2.471 -9.755 -10.267 1.00 0.00 C ATOM 628 CZ TYR A 39 3.238 -8.812 -10.963 1.00 0.00 C ATOM 629 OH TYR A 39 3.512 -8.996 -12.304 1.00 0.00 O ATOM 0 H TYR A 39 1.133 -7.654 -4.559 1.00 0.00 H new ATOM 0 HA TYR A 39 1.865 -6.176 -7.054 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.314 -8.053 -6.224 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.951 -9.147 -6.355 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.831 -6.621 -8.425 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.605 -10.294 -8.369 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.321 -6.955 -10.833 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.091 -10.627 -10.779 1.00 0.00 H new ATOM 0 HH TYR A 39 3.098 -9.830 -12.611 1.00 0.00 H new ATOM 639 N SER A 40 -0.567 -6.360 -7.798 1.00 0.00 N ATOM 640 CA SER A 40 -1.892 -6.553 -8.470 1.00 0.00 C ATOM 641 C SER A 40 -2.242 -5.306 -9.287 1.00 0.00 C ATOM 642 O SER A 40 -1.543 -4.307 -9.236 1.00 0.00 O ATOM 643 CB SER A 40 -2.971 -6.786 -7.412 1.00 0.00 C ATOM 644 OG SER A 40 -4.042 -7.524 -7.986 1.00 0.00 O ATOM 0 H SER A 40 -0.227 -5.398 -7.798 1.00 0.00 H new ATOM 0 HA SER A 40 -1.838 -7.417 -9.133 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.554 -7.329 -6.564 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.335 -5.832 -7.031 1.00 0.00 H new ATOM 0 HG SER A 40 -4.734 -7.676 -7.309 1.00 0.00 H new ATOM 650 N LEU A 41 -3.322 -5.369 -10.041 1.00 0.00 N ATOM 651 CA LEU A 41 -3.749 -4.204 -10.882 1.00 0.00 C ATOM 652 C LEU A 41 -4.786 -3.364 -10.111 1.00 0.00 C ATOM 653 O LEU A 41 -5.404 -3.868 -9.191 1.00 0.00 O ATOM 654 CB LEU A 41 -4.379 -4.715 -12.187 1.00 0.00 C ATOM 655 CG LEU A 41 -3.290 -5.161 -13.178 1.00 0.00 C ATOM 656 CD1 LEU A 41 -2.366 -3.986 -13.509 1.00 0.00 C ATOM 657 CD2 LEU A 41 -2.464 -6.302 -12.573 1.00 0.00 C ATOM 0 H LEU A 41 -3.928 -6.187 -10.107 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.879 -3.589 -11.113 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.046 -5.550 -11.972 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.986 -3.929 -12.636 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.772 -5.509 -14.091 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.599 -4.313 -14.211 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.948 -3.180 -13.956 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.892 -3.627 -12.595 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.696 -6.611 -13.282 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.992 -5.960 -11.652 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.117 -7.147 -12.354 1.00 0.00 H new ATOM 669 N PRO A 42 -4.959 -2.109 -10.508 1.00 0.00 N ATOM 670 CA PRO A 42 -5.922 -1.197 -9.852 1.00 0.00 C ATOM 671 C PRO A 42 -7.367 -1.518 -10.267 1.00 0.00 C ATOM 672 O PRO A 42 -8.306 -1.078 -9.623 1.00 0.00 O ATOM 673 CB PRO A 42 -5.502 0.193 -10.340 1.00 0.00 C ATOM 674 CG PRO A 42 -4.705 -0.020 -11.647 1.00 0.00 C ATOM 675 CD PRO A 42 -4.229 -1.485 -11.641 1.00 0.00 C ATOM 0 HA PRO A 42 -5.906 -1.284 -8.766 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.375 0.822 -10.516 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.891 0.698 -9.592 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.329 0.181 -12.518 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.857 0.662 -11.699 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.460 -1.981 -12.584 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.150 -1.551 -11.502 1.00 0.00 H new ATOM 683 N GLY A 43 -7.548 -2.280 -11.328 1.00 0.00 N ATOM 684 CA GLY A 43 -8.925 -2.642 -11.794 1.00 0.00 C ATOM 685 C GLY A 43 -9.601 -3.575 -10.770 1.00 0.00 C ATOM 686 O GLY A 43 -10.663 -3.247 -10.270 1.00 0.00 O ATOM 0 H GLY A 43 -6.792 -2.667 -11.892 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.522 -1.740 -11.925 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.871 -3.133 -12.766 1.00 0.00 H new ATOM 690 N PRO A 44 -8.979 -4.717 -10.485 1.00 0.00 N ATOM 691 CA PRO A 44 -9.533 -5.700 -9.530 1.00 0.00 C ATOM 692 C PRO A 44 -9.370 -5.216 -8.085 1.00 0.00 C ATOM 693 O PRO A 44 -10.181 -5.541 -7.231 1.00 0.00 O ATOM 694 CB PRO A 44 -8.714 -6.968 -9.785 1.00 0.00 C ATOM 695 CG PRO A 44 -7.397 -6.510 -10.447 1.00 0.00 C ATOM 696 CD PRO A 44 -7.678 -5.133 -11.072 1.00 0.00 C ATOM 0 HA PRO A 44 -10.602 -5.860 -9.667 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.517 -7.497 -8.853 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.256 -7.656 -10.434 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.595 -6.446 -9.712 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.076 -7.223 -11.207 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.889 -4.420 -10.833 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.734 -5.194 -12.159 1.00 0.00 H new ATOM 704 N VAL A 45 -8.340 -4.439 -7.810 1.00 0.00 N ATOM 705 CA VAL A 45 -8.125 -3.921 -6.422 1.00 0.00 C ATOM 706 C VAL A 45 -9.278 -2.972 -6.086 1.00 0.00 C ATOM 707 O VAL A 45 -10.055 -3.227 -5.180 1.00 0.00 O ATOM 708 CB VAL A 45 -6.774 -3.188 -6.343 1.00 0.00 C ATOM 709 CG1 VAL A 45 -6.609 -2.499 -4.982 1.00 0.00 C ATOM 710 CG2 VAL A 45 -5.644 -4.205 -6.516 1.00 0.00 C ATOM 0 H VAL A 45 -7.641 -4.144 -8.492 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.104 -4.741 -5.704 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.739 -2.435 -7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.647 -1.987 -4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.411 -1.774 -4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.651 -3.245 -4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.683 -3.694 -6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.703 -4.952 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.740 -4.694 -7.485 1.00 0.00 H new ATOM 720 N LYS A 46 -9.388 -1.893 -6.827 1.00 0.00 N ATOM 721 CA LYS A 46 -10.489 -0.909 -6.596 1.00 0.00 C ATOM 722 C LYS A 46 -11.844 -1.595 -6.810 1.00 0.00 C ATOM 723 O LYS A 46 -12.855 -1.146 -6.293 1.00 0.00 O ATOM 724 CB LYS A 46 -10.343 0.257 -7.574 1.00 0.00 C ATOM 725 CG LYS A 46 -11.300 1.379 -7.172 1.00 0.00 C ATOM 726 CD LYS A 46 -11.319 2.452 -8.262 1.00 0.00 C ATOM 727 CE LYS A 46 -11.983 1.896 -9.525 1.00 0.00 C ATOM 728 NZ LYS A 46 -12.931 2.906 -10.074 1.00 0.00 N ATOM 0 H LYS A 46 -8.754 -1.652 -7.589 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.433 -0.534 -5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.316 0.622 -7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.561 -0.076 -8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.303 0.979 -7.023 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.987 1.815 -6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.861 3.330 -7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.302 2.774 -8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.225 1.651 -10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.513 0.972 -9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.382 2.529 -10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.661 3.119 -9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.413 3.776 -10.310 1.00 0.00 H new ATOM 742 N ALA A 47 -11.866 -2.677 -7.570 1.00 0.00 N ATOM 743 CA ALA A 47 -13.148 -3.409 -7.831 1.00 0.00 C ATOM 744 C ALA A 47 -13.706 -3.952 -6.512 1.00 0.00 C ATOM 745 O ALA A 47 -14.910 -3.990 -6.313 1.00 0.00 O ATOM 746 CB ALA A 47 -12.884 -4.574 -8.788 1.00 0.00 C ATOM 0 H ALA A 47 -11.044 -3.081 -8.020 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.870 -2.726 -8.278 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.816 -5.107 -8.978 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.487 -4.190 -9.728 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.161 -5.256 -8.340 1.00 0.00 H new ATOM 752 N LEU A 48 -12.834 -4.371 -5.619 1.00 0.00 N ATOM 753 CA LEU A 48 -13.278 -4.922 -4.297 1.00 0.00 C ATOM 754 C LEU A 48 -14.101 -3.871 -3.546 1.00 0.00 C ATOM 755 O LEU A 48 -14.964 -4.208 -2.750 1.00 0.00 O ATOM 756 CB LEU A 48 -12.049 -5.296 -3.466 1.00 0.00 C ATOM 757 CG LEU A 48 -11.744 -6.785 -3.639 1.00 0.00 C ATOM 758 CD1 LEU A 48 -10.345 -7.086 -3.099 1.00 0.00 C ATOM 759 CD2 LEU A 48 -12.776 -7.608 -2.864 1.00 0.00 C ATOM 0 H LEU A 48 -11.823 -4.353 -5.754 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.893 -5.807 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -11.191 -4.700 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.227 -5.071 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.789 -7.045 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.128 -8.147 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.609 -6.499 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.300 -6.827 -2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.561 -8.670 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.729 -7.347 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.774 -7.394 -3.247 1.00 0.00 H new ATOM 771 N CYS A 49 -13.832 -2.607 -3.795 1.00 0.00 N ATOM 772 CA CYS A 49 -14.580 -1.508 -3.107 1.00 0.00 C ATOM 773 C CYS A 49 -15.953 -1.300 -3.757 1.00 0.00 C ATOM 774 O CYS A 49 -16.797 -0.619 -3.198 1.00 0.00 O ATOM 775 CB CYS A 49 -13.774 -0.213 -3.200 1.00 0.00 C ATOM 776 SG CYS A 49 -12.700 -0.070 -1.749 1.00 0.00 S ATOM 0 H CYS A 49 -13.119 -2.291 -4.452 1.00 0.00 H new ATOM 0 HA CYS A 49 -14.726 -1.783 -2.062 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.176 -0.208 -4.111 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -14.446 0.644 -3.255 1.00 0.00 H new ATOM 781 N ARG A 50 -16.185 -1.874 -4.929 1.00 0.00 N ATOM 782 CA ARG A 50 -17.508 -1.706 -5.615 1.00 0.00 C ATOM 783 C ARG A 50 -18.631 -2.182 -4.685 1.00 0.00 C ATOM 784 O ARG A 50 -18.962 -3.357 -4.641 1.00 0.00 O ATOM 785 CB ARG A 50 -17.526 -2.520 -6.913 1.00 0.00 C ATOM 786 CG ARG A 50 -18.690 -2.047 -7.789 1.00 0.00 C ATOM 787 CD ARG A 50 -18.644 -2.769 -9.137 1.00 0.00 C ATOM 788 NE ARG A 50 -17.459 -2.302 -9.908 1.00 0.00 N ATOM 789 CZ ARG A 50 -17.266 -2.724 -11.128 1.00 0.00 C ATOM 790 NH1 ARG A 50 -18.200 -2.571 -12.025 1.00 0.00 N ATOM 791 NH2 ARG A 50 -16.139 -3.298 -11.447 1.00 0.00 N ATOM 0 H ARG A 50 -15.510 -2.450 -5.433 1.00 0.00 H new ATOM 0 HA ARG A 50 -17.661 -0.654 -5.854 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.582 -2.399 -7.445 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -17.632 -3.581 -6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -19.638 -2.247 -7.290 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -18.630 -0.969 -7.940 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -18.590 -3.847 -8.983 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -19.557 -2.573 -9.698 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.798 -1.652 -9.483 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -19.080 -2.122 -11.773 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -18.050 -2.900 -12.979 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.410 -3.417 -10.743 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.987 -3.628 -12.400 1.00 0.00 H new ATOM 805 N GLY A 51 -19.200 -1.265 -3.934 1.00 0.00 N ATOM 806 CA GLY A 51 -20.296 -1.616 -2.981 1.00 0.00 C ATOM 807 C GLY A 51 -20.147 -0.781 -1.710 1.00 0.00 C ATOM 808 O GLY A 51 -21.125 -0.467 -1.054 1.00 0.00 O ATOM 0 H GLY A 51 -18.946 -0.277 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -21.267 -1.430 -3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.257 -2.678 -2.739 1.00 0.00 H new ATOM 812 N VAL A 52 -18.925 -0.425 -1.363 1.00 0.00 N ATOM 813 CA VAL A 52 -18.681 0.391 -0.132 1.00 0.00 C ATOM 814 C VAL A 52 -19.029 1.859 -0.408 1.00 0.00 C ATOM 815 O VAL A 52 -18.674 2.404 -1.440 1.00 0.00 O ATOM 816 CB VAL A 52 -17.208 0.275 0.271 1.00 0.00 C ATOM 817 CG1 VAL A 52 -16.974 1.024 1.585 1.00 0.00 C ATOM 818 CG2 VAL A 52 -16.845 -1.202 0.458 1.00 0.00 C ATOM 0 H VAL A 52 -18.085 -0.669 -1.887 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.309 0.022 0.679 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.585 0.709 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -15.925 0.940 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.232 2.075 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -17.598 0.591 2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -15.797 -1.286 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -17.470 -1.634 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.009 -1.738 -0.477 1.00 0.00 H new ATOM 828 N ILE A 53 -19.721 2.490 0.519 1.00 0.00 N ATOM 829 CA ILE A 53 -20.114 3.928 0.359 1.00 0.00 C ATOM 830 C ILE A 53 -19.587 4.722 1.557 1.00 0.00 C ATOM 831 O ILE A 53 -19.069 5.816 1.398 1.00 0.00 O ATOM 832 CB ILE A 53 -21.640 4.037 0.285 1.00 0.00 C ATOM 833 CG1 ILE A 53 -22.145 3.203 -0.898 1.00 0.00 C ATOM 834 CG2 ILE A 53 -22.055 5.498 0.081 1.00 0.00 C ATOM 835 CD1 ILE A 53 -22.533 1.806 -0.416 1.00 0.00 C ATOM 0 H ILE A 53 -20.033 2.061 1.390 1.00 0.00 H new ATOM 0 HA ILE A 53 -19.688 4.331 -0.560 1.00 0.00 H new ATOM 0 HB ILE A 53 -22.071 3.669 1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -23.004 3.691 -1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -21.371 3.132 -1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -23.142 5.564 0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -21.694 6.099 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -21.625 5.872 -0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -22.891 1.216 -1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -21.663 1.318 0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -23.322 1.885 0.332 1.00 0.00 H new ATOM 847 N PHE A 54 -19.698 4.167 2.743 1.00 0.00 N ATOM 848 CA PHE A 54 -19.189 4.860 3.964 1.00 0.00 C ATOM 849 C PHE A 54 -17.840 4.259 4.353 1.00 0.00 C ATOM 850 O PHE A 54 -17.429 3.238 3.823 1.00 0.00 O ATOM 851 CB PHE A 54 -20.170 4.677 5.123 1.00 0.00 C ATOM 852 CG PHE A 54 -21.254 5.722 5.036 1.00 0.00 C ATOM 853 CD1 PHE A 54 -22.389 5.487 4.251 1.00 0.00 C ATOM 854 CD2 PHE A 54 -21.126 6.927 5.738 1.00 0.00 C ATOM 855 CE1 PHE A 54 -23.396 6.455 4.170 1.00 0.00 C ATOM 856 CE2 PHE A 54 -22.132 7.895 5.656 1.00 0.00 C ATOM 857 CZ PHE A 54 -23.268 7.659 4.871 1.00 0.00 C ATOM 0 H PHE A 54 -20.124 3.256 2.915 1.00 0.00 H new ATOM 0 HA PHE A 54 -19.081 5.924 3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -20.608 3.680 5.088 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -19.645 4.761 6.074 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -22.487 4.559 3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -20.250 7.109 6.343 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -24.273 6.273 3.566 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -22.033 8.824 6.198 1.00 0.00 H new ATOM 0 HZ PHE A 54 -24.045 8.406 4.807 1.00 0.00 H new ATOM 867 N SER A 55 -17.158 4.893 5.277 1.00 0.00 N ATOM 868 CA SER A 55 -15.827 4.389 5.731 1.00 0.00 C ATOM 869 C SER A 55 -16.007 3.038 6.425 1.00 0.00 C ATOM 870 O SER A 55 -16.573 2.963 7.503 1.00 0.00 O ATOM 871 CB SER A 55 -15.217 5.391 6.712 1.00 0.00 C ATOM 872 OG SER A 55 -15.360 6.706 6.190 1.00 0.00 O ATOM 0 H SER A 55 -17.472 5.746 5.739 1.00 0.00 H new ATOM 0 HA SER A 55 -15.166 4.270 4.873 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.711 5.316 7.681 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.163 5.164 6.873 1.00 0.00 H new ATOM 0 HG SER A 55 -14.971 7.351 6.817 1.00 0.00 H new ATOM 878 N ALA A 56 -15.529 1.977 5.806 1.00 0.00 N ATOM 879 CA ALA A 56 -15.660 0.613 6.407 1.00 0.00 C ATOM 880 C ALA A 56 -14.353 -0.148 6.205 1.00 0.00 C ATOM 881 O ALA A 56 -13.615 0.127 5.277 1.00 0.00 O ATOM 882 CB ALA A 56 -16.799 -0.141 5.719 1.00 0.00 C ATOM 0 H ALA A 56 -15.052 2.003 4.905 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.876 0.700 7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.894 -1.135 6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.732 0.406 5.855 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.584 -0.233 4.654 1.00 0.00 H new ATOM 888 N ASP A 57 -14.069 -1.100 7.066 1.00 0.00 N ATOM 889 CA ASP A 57 -12.804 -1.892 6.943 1.00 0.00 C ATOM 890 C ASP A 57 -13.094 -3.204 6.212 1.00 0.00 C ATOM 891 O ASP A 57 -13.914 -3.996 6.647 1.00 0.00 O ATOM 892 CB ASP A 57 -12.254 -2.198 8.338 1.00 0.00 C ATOM 893 CG ASP A 57 -13.343 -2.856 9.187 1.00 0.00 C ATOM 894 OD1 ASP A 57 -14.243 -2.150 9.611 1.00 0.00 O ATOM 895 OD2 ASP A 57 -13.261 -4.055 9.396 1.00 0.00 O ATOM 0 H ASP A 57 -14.664 -1.362 7.852 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.069 -1.316 6.381 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.390 -2.858 8.262 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.913 -1.279 8.815 1.00 0.00 H new ATOM 900 N VAL A 58 -12.423 -3.427 5.100 1.00 0.00 N ATOM 901 CA VAL A 58 -12.634 -4.677 4.306 1.00 0.00 C ATOM 902 C VAL A 58 -11.366 -5.539 4.350 1.00 0.00 C ATOM 903 O VAL A 58 -10.267 -5.052 4.136 1.00 0.00 O ATOM 904 CB VAL A 58 -12.956 -4.308 2.852 1.00 0.00 C ATOM 905 CG1 VAL A 58 -13.160 -5.581 2.022 1.00 0.00 C ATOM 906 CG2 VAL A 58 -14.235 -3.467 2.814 1.00 0.00 C ATOM 0 H VAL A 58 -11.732 -2.786 4.709 1.00 0.00 H new ATOM 0 HA VAL A 58 -13.464 -5.240 4.731 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.126 -3.738 2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -13.388 -5.310 0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -12.250 -6.181 2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.987 -6.158 2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -14.466 -3.203 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.060 -4.041 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.090 -2.558 3.397 1.00 0.00 H new ATOM 916 N LEU A 59 -11.531 -6.815 4.617 1.00 0.00 N ATOM 917 CA LEU A 59 -10.377 -7.756 4.672 1.00 0.00 C ATOM 918 C LEU A 59 -10.330 -8.550 3.364 1.00 0.00 C ATOM 919 O LEU A 59 -11.316 -9.152 2.973 1.00 0.00 O ATOM 920 CB LEU A 59 -10.589 -8.723 5.841 1.00 0.00 C ATOM 921 CG LEU A 59 -9.247 -9.190 6.410 1.00 0.00 C ATOM 922 CD1 LEU A 59 -8.434 -9.892 5.322 1.00 0.00 C ATOM 923 CD2 LEU A 59 -8.459 -7.993 6.945 1.00 0.00 C ATOM 0 H LEU A 59 -12.437 -7.246 4.802 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.445 -7.208 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.170 -8.234 6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.167 -9.584 5.506 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.436 -9.888 7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.481 -10.221 5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.988 -10.756 4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.253 -9.200 4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.506 -8.336 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.278 -7.286 6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.031 -7.504 7.733 1.00 0.00 H new ATOM 935 N SER A 60 -9.195 -8.555 2.688 1.00 0.00 N ATOM 936 CA SER A 60 -9.076 -9.310 1.398 1.00 0.00 C ATOM 937 C SER A 60 -9.411 -10.785 1.633 1.00 0.00 C ATOM 938 O SER A 60 -8.999 -11.369 2.622 1.00 0.00 O ATOM 939 CB SER A 60 -7.650 -9.195 0.858 1.00 0.00 C ATOM 940 OG SER A 60 -6.736 -9.678 1.832 1.00 0.00 O ATOM 0 H SER A 60 -8.348 -8.067 2.979 1.00 0.00 H new ATOM 0 HA SER A 60 -9.772 -8.888 0.673 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.551 -9.767 -0.064 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.424 -8.157 0.615 1.00 0.00 H new ATOM 0 HG SER A 60 -6.655 -10.651 1.750 1.00 0.00 H new ATOM 946 N ASN A 61 -10.160 -11.381 0.728 1.00 0.00 N ATOM 947 CA ASN A 61 -10.543 -12.821 0.873 1.00 0.00 C ATOM 948 C ASN A 61 -9.382 -13.703 0.412 1.00 0.00 C ATOM 949 O ASN A 61 -9.188 -14.795 0.920 1.00 0.00 O ATOM 950 CB ASN A 61 -11.777 -13.107 0.017 1.00 0.00 C ATOM 951 CG ASN A 61 -12.996 -12.419 0.633 1.00 0.00 C ATOM 952 OD1 ASN A 61 -13.569 -11.527 0.042 1.00 0.00 O ATOM 953 ND2 ASN A 61 -13.421 -12.801 1.807 1.00 0.00 N ATOM 0 H ASN A 61 -10.523 -10.925 -0.109 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.770 -13.037 1.917 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.619 -12.748 -1.000 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.947 -14.182 -0.048 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.234 -12.350 2.227 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.940 -13.551 2.304 1.00 0.00 H new ATOM 960 N SER A 62 -8.616 -13.228 -0.547 1.00 0.00 N ATOM 961 CA SER A 62 -7.452 -14.013 -1.068 1.00 0.00 C ATOM 962 C SER A 62 -6.153 -13.281 -0.728 1.00 0.00 C ATOM 963 O SER A 62 -6.105 -12.061 -0.730 1.00 0.00 O ATOM 964 CB SER A 62 -7.575 -14.159 -2.582 1.00 0.00 C ATOM 965 OG SER A 62 -7.939 -12.905 -3.145 1.00 0.00 O ATOM 0 H SER A 62 -8.752 -12.321 -0.993 1.00 0.00 H new ATOM 0 HA SER A 62 -7.443 -15.001 -0.608 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.630 -14.500 -3.004 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.324 -14.912 -2.827 1.00 0.00 H new ATOM 0 HG SER A 62 -8.017 -12.994 -4.118 1.00 0.00 H new ATOM 971 N GLU A 63 -5.107 -14.025 -0.439 1.00 0.00 N ATOM 972 CA GLU A 63 -3.787 -13.409 -0.090 1.00 0.00 C ATOM 973 C GLU A 63 -3.044 -13.030 -1.372 1.00 0.00 C ATOM 974 O GLU A 63 -3.026 -13.784 -2.331 1.00 0.00 O ATOM 975 CB GLU A 63 -2.951 -14.416 0.704 1.00 0.00 C ATOM 976 CG GLU A 63 -3.747 -14.896 1.921 1.00 0.00 C ATOM 977 CD GLU A 63 -3.155 -16.210 2.433 1.00 0.00 C ATOM 978 OE1 GLU A 63 -1.995 -16.207 2.813 1.00 0.00 O ATOM 979 OE2 GLU A 63 -3.869 -17.199 2.433 1.00 0.00 O ATOM 0 H GLU A 63 -5.115 -15.045 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.951 -12.515 0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.687 -15.264 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.017 -13.955 1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.719 -14.142 2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.794 -15.037 1.651 1.00 0.00 H new ATOM 986 N PHE A 64 -2.433 -11.864 -1.384 1.00 0.00 N ATOM 987 CA PHE A 64 -1.673 -11.399 -2.593 1.00 0.00 C ATOM 988 C PHE A 64 -0.185 -11.350 -2.260 1.00 0.00 C ATOM 989 O PHE A 64 0.201 -11.420 -1.099 1.00 0.00 O ATOM 990 CB PHE A 64 -2.107 -9.977 -3.014 1.00 0.00 C ATOM 991 CG PHE A 64 -3.566 -9.727 -2.691 1.00 0.00 C ATOM 992 CD1 PHE A 64 -4.558 -10.552 -3.231 1.00 0.00 C ATOM 993 CD2 PHE A 64 -3.920 -8.665 -1.850 1.00 0.00 C ATOM 994 CE1 PHE A 64 -5.905 -10.315 -2.932 1.00 0.00 C ATOM 995 CE2 PHE A 64 -5.267 -8.427 -1.550 1.00 0.00 C ATOM 996 CZ PHE A 64 -6.259 -9.253 -2.091 1.00 0.00 C ATOM 0 H PHE A 64 -2.429 -11.210 -0.601 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.877 -12.095 -3.406 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.488 -9.240 -2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.942 -9.846 -4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.285 -11.372 -3.879 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.154 -8.029 -1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.671 -10.951 -3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.540 -7.607 -0.902 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.298 -9.071 -1.860 1.00 0.00 H new ATOM 1006 N TYR A 65 0.642 -11.186 -3.271 1.00 0.00 N ATOM 1007 CA TYR A 65 2.112 -11.076 -3.047 1.00 0.00 C ATOM 1008 C TYR A 65 2.361 -9.694 -2.453 1.00 0.00 C ATOM 1009 O TYR A 65 1.670 -8.746 -2.800 1.00 0.00 O ATOM 1010 CB TYR A 65 2.862 -11.221 -4.375 1.00 0.00 C ATOM 1011 CG TYR A 65 2.735 -12.640 -4.884 1.00 0.00 C ATOM 1012 CD1 TYR A 65 3.074 -13.718 -4.054 1.00 0.00 C ATOM 1013 CD2 TYR A 65 2.281 -12.877 -6.187 1.00 0.00 C ATOM 1014 CE1 TYR A 65 2.957 -15.030 -4.527 1.00 0.00 C ATOM 1015 CE2 TYR A 65 2.163 -14.190 -6.660 1.00 0.00 C ATOM 1016 CZ TYR A 65 2.502 -15.266 -5.830 1.00 0.00 C ATOM 1017 OH TYR A 65 2.387 -16.561 -6.296 1.00 0.00 O ATOM 0 H TYR A 65 0.352 -11.124 -4.247 1.00 0.00 H new ATOM 0 HA TYR A 65 2.466 -11.861 -2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.458 -10.524 -5.109 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.913 -10.967 -4.239 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.426 -13.536 -3.049 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.022 -12.047 -6.828 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.218 -15.860 -3.887 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.811 -14.373 -7.664 1.00 0.00 H new ATOM 0 HH TYR A 65 2.057 -16.549 -7.219 1.00 0.00 H new ATOM 1027 N LEU A 66 3.304 -9.570 -1.547 1.00 0.00 N ATOM 1028 CA LEU A 66 3.554 -8.240 -0.910 1.00 0.00 C ATOM 1029 C LEU A 66 5.005 -7.805 -1.083 1.00 0.00 C ATOM 1030 O LEU A 66 5.913 -8.402 -0.525 1.00 0.00 O ATOM 1031 CB LEU A 66 3.233 -8.326 0.583 1.00 0.00 C ATOM 1032 CG LEU A 66 1.723 -8.203 0.790 1.00 0.00 C ATOM 1033 CD1 LEU A 66 1.378 -8.497 2.253 1.00 0.00 C ATOM 1034 CD2 LEU A 66 1.276 -6.783 0.440 1.00 0.00 C ATOM 0 H LEU A 66 3.906 -10.327 -1.224 1.00 0.00 H new ATOM 0 HA LEU A 66 2.914 -7.504 -1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.590 -9.273 0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.750 -7.533 1.123 1.00 0.00 H new ATOM 0 HG LEU A 66 1.211 -8.918 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.301 -8.409 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.696 -9.508 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.891 -7.783 2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.200 -6.694 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.791 -6.070 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.519 -6.571 -0.601 1.00 0.00 H new ATOM 1046 N ALA A 67 5.207 -6.737 -1.822 1.00 0.00 N ATOM 1047 CA ALA A 67 6.578 -6.182 -2.024 1.00 0.00 C ATOM 1048 C ALA A 67 6.709 -4.968 -1.102 1.00 0.00 C ATOM 1049 O ALA A 67 6.268 -3.880 -1.434 1.00 0.00 O ATOM 1050 CB ALA A 67 6.759 -5.756 -3.485 1.00 0.00 C ATOM 0 H ALA A 67 4.466 -6.222 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 67 7.339 -6.927 -1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.762 -5.352 -3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.622 -6.620 -4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.022 -4.993 -3.735 1.00 0.00 H new ATOM 1056 N GLU A 68 7.276 -5.165 0.068 1.00 0.00 N ATOM 1057 CA GLU A 68 7.409 -4.045 1.054 1.00 0.00 C ATOM 1058 C GLU A 68 8.817 -3.468 1.027 1.00 0.00 C ATOM 1059 O GLU A 68 9.710 -3.991 0.382 1.00 0.00 O ATOM 1060 CB GLU A 68 7.107 -4.560 2.463 1.00 0.00 C ATOM 1061 CG GLU A 68 7.955 -5.800 2.751 1.00 0.00 C ATOM 1062 CD GLU A 68 7.983 -6.064 4.258 1.00 0.00 C ATOM 1063 OE1 GLU A 68 6.919 -6.095 4.853 1.00 0.00 O ATOM 1064 OE2 GLU A 68 9.068 -6.229 4.789 1.00 0.00 O ATOM 0 H GLU A 68 7.654 -6.059 0.382 1.00 0.00 H new ATOM 0 HA GLU A 68 6.700 -3.263 0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.320 -3.783 3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.048 -4.803 2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.544 -6.663 2.228 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.969 -5.654 2.378 1.00 0.00 H new ATOM 1071 N CYS A 69 9.000 -2.384 1.743 1.00 0.00 N ATOM 1072 CA CYS A 69 10.327 -1.708 1.817 1.00 0.00 C ATOM 1073 C CYS A 69 10.576 -1.265 3.254 1.00 0.00 C ATOM 1074 O CYS A 69 9.655 -0.887 3.956 1.00 0.00 O ATOM 1075 CB CYS A 69 10.325 -0.483 0.906 1.00 0.00 C ATOM 1076 SG CYS A 69 11.086 -0.897 -0.678 1.00 0.00 S ATOM 0 H CYS A 69 8.267 -1.933 2.290 1.00 0.00 H new ATOM 0 HA CYS A 69 11.110 -2.396 1.498 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.303 -0.137 0.749 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.870 0.334 1.379 1.00 0.00 H new ATOM 1081 N ASN A 70 11.816 -1.304 3.685 1.00 0.00 N ATOM 1082 CA ASN A 70 12.156 -0.883 5.076 1.00 0.00 C ATOM 1083 C ASN A 70 13.448 -0.066 5.054 1.00 0.00 C ATOM 1084 O ASN A 70 14.466 -0.523 4.555 1.00 0.00 O ATOM 1085 CB ASN A 70 12.344 -2.125 5.951 1.00 0.00 C ATOM 1086 CG ASN A 70 12.065 -1.768 7.413 1.00 0.00 C ATOM 1087 OD1 ASN A 70 12.921 -1.243 8.096 1.00 0.00 O ATOM 1088 ND2 ASN A 70 10.893 -2.033 7.924 1.00 0.00 N ATOM 0 H ASN A 70 12.611 -1.613 3.125 1.00 0.00 H new ATOM 0 HA ASN A 70 11.350 -0.274 5.484 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.671 -2.918 5.625 1.00 0.00 H new ATOM 0 HB3 ASN A 70 13.360 -2.506 5.846 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.696 -1.799 8.897 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.174 -2.474 7.350 1.00 0.00 H new ATOM 1095 N VAL A 71 13.403 1.134 5.595 1.00 0.00 N ATOM 1096 CA VAL A 71 14.615 2.007 5.631 1.00 0.00 C ATOM 1097 C VAL A 71 15.561 1.461 6.709 1.00 0.00 C ATOM 1098 O VAL A 71 15.221 1.423 7.880 1.00 0.00 O ATOM 1099 CB VAL A 71 14.192 3.458 5.946 1.00 0.00 C ATOM 1100 CG1 VAL A 71 15.417 4.329 6.248 1.00 0.00 C ATOM 1101 CG2 VAL A 71 13.465 4.049 4.734 1.00 0.00 C ATOM 0 H VAL A 71 12.569 1.544 6.015 1.00 0.00 H new ATOM 0 HA VAL A 71 15.126 2.007 4.668 1.00 0.00 H new ATOM 0 HB VAL A 71 13.538 3.443 6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 71 15.095 5.347 6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.948 3.924 7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.080 4.337 5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.165 5.074 4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.131 4.043 3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.580 3.451 4.513 1.00 0.00 H new ATOM 1111 N LYS A 72 16.737 1.030 6.303 1.00 0.00 N ATOM 1112 CA LYS A 72 17.734 0.461 7.269 1.00 0.00 C ATOM 1113 C LYS A 72 17.977 1.451 8.432 1.00 0.00 C ATOM 1114 O LYS A 72 18.234 2.614 8.177 1.00 0.00 O ATOM 1115 CB LYS A 72 19.061 0.225 6.541 1.00 0.00 C ATOM 1116 CG LYS A 72 18.977 -1.055 5.708 1.00 0.00 C ATOM 1117 CD LYS A 72 19.934 -0.946 4.518 1.00 0.00 C ATOM 1118 CE LYS A 72 20.458 -2.335 4.151 1.00 0.00 C ATOM 1119 NZ LYS A 72 21.146 -2.273 2.830 1.00 0.00 N ATOM 0 H LYS A 72 17.050 1.049 5.332 1.00 0.00 H new ATOM 0 HA LYS A 72 17.345 -0.476 7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 72 19.288 1.074 5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 72 19.873 0.146 7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 72 19.236 -1.919 6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.957 -1.208 5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.420 -0.503 3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.766 -0.287 4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 72 21.149 -2.689 4.917 1.00 0.00 H new ATOM 0 HE3 LYS A 72 19.634 -3.047 4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.503 -3.217 2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.474 -1.953 2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.942 -1.606 2.884 1.00 0.00 H new ATOM 1133 N PRO A 73 17.909 0.974 9.676 1.00 0.00 N ATOM 1134 CA PRO A 73 18.143 1.832 10.857 1.00 0.00 C ATOM 1135 C PRO A 73 19.648 2.043 11.038 1.00 0.00 C ATOM 1136 O PRO A 73 20.445 1.258 10.550 1.00 0.00 O ATOM 1137 CB PRO A 73 17.556 1.031 12.021 1.00 0.00 C ATOM 1138 CG PRO A 73 17.540 -0.445 11.567 1.00 0.00 C ATOM 1139 CD PRO A 73 17.597 -0.436 10.029 1.00 0.00 C ATOM 0 HA PRO A 73 17.691 2.821 10.775 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.159 1.154 12.921 1.00 0.00 H new ATOM 0 HB3 PRO A 73 16.550 1.375 12.261 1.00 0.00 H new ATOM 0 HG2 PRO A 73 18.390 -0.987 11.982 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.639 -0.948 11.918 1.00 0.00 H new ATOM 0 HD2 PRO A 73 18.362 -1.117 9.656 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.649 -0.753 9.595 1.00 0.00 H new ATOM 1147 N ARG A 74 20.039 3.105 11.718 1.00 0.00 N ATOM 1148 CA ARG A 74 21.497 3.392 11.921 1.00 0.00 C ATOM 1149 C ARG A 74 22.151 3.581 10.542 1.00 0.00 C ATOM 1150 O ARG A 74 23.320 3.284 10.347 1.00 0.00 O ATOM 1151 CB ARG A 74 22.148 2.210 12.664 1.00 0.00 C ATOM 1152 CG ARG A 74 22.787 2.700 13.968 1.00 0.00 C ATOM 1153 CD ARG A 74 24.109 1.963 14.201 1.00 0.00 C ATOM 1154 NE ARG A 74 25.170 2.562 13.345 1.00 0.00 N ATOM 1155 CZ ARG A 74 26.209 1.852 13.001 1.00 0.00 C ATOM 1156 NH1 ARG A 74 27.042 1.429 13.913 1.00 0.00 N ATOM 1157 NH2 ARG A 74 26.415 1.567 11.744 1.00 0.00 N ATOM 0 H ARG A 74 19.406 3.784 12.140 1.00 0.00 H new ATOM 0 HA ARG A 74 21.631 4.296 12.515 1.00 0.00 H new ATOM 0 HB2 ARG A 74 21.399 1.448 12.880 1.00 0.00 H new ATOM 0 HB3 ARG A 74 22.904 1.744 12.032 1.00 0.00 H new ATOM 0 HG2 ARG A 74 22.962 3.775 13.918 1.00 0.00 H new ATOM 0 HG3 ARG A 74 22.110 2.526 14.804 1.00 0.00 H new ATOM 0 HD2 ARG A 74 24.394 2.029 15.251 1.00 0.00 H new ATOM 0 HD3 ARG A 74 23.993 0.905 13.968 1.00 0.00 H new ATOM 0 HE ARG A 74 25.084 3.528 13.028 1.00 0.00 H new ATOM 0 HH11 ARG A 74 26.881 1.654 14.895 1.00 0.00 H new ATOM 0 HH12 ARG A 74 27.854 0.874 13.644 1.00 0.00 H new ATOM 0 HH21 ARG A 74 25.764 1.899 11.032 1.00 0.00 H new ATOM 0 HH22 ARG A 74 27.227 1.012 11.473 1.00 0.00 H new ATOM 1171 N LYS A 75 21.380 4.063 9.589 1.00 0.00 N ATOM 1172 CA LYS A 75 21.896 4.273 8.201 1.00 0.00 C ATOM 1173 C LYS A 75 21.040 5.354 7.500 1.00 0.00 C ATOM 1174 O LYS A 75 19.988 5.707 8.007 1.00 0.00 O ATOM 1175 CB LYS A 75 21.796 2.943 7.447 1.00 0.00 C ATOM 1176 CG LYS A 75 23.073 2.131 7.683 1.00 0.00 C ATOM 1177 CD LYS A 75 23.110 0.937 6.725 1.00 0.00 C ATOM 1178 CE LYS A 75 24.051 -0.140 7.277 1.00 0.00 C ATOM 1179 NZ LYS A 75 24.799 -0.793 6.159 1.00 0.00 N ATOM 0 H LYS A 75 20.402 4.322 9.721 1.00 0.00 H new ATOM 0 HA LYS A 75 22.934 4.606 8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.926 2.382 7.789 1.00 0.00 H new ATOM 0 HB3 LYS A 75 21.659 3.125 6.381 1.00 0.00 H new ATOM 0 HG2 LYS A 75 23.949 2.760 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 75 23.108 1.783 8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.107 0.528 6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 75 23.448 1.259 5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.752 0.306 7.982 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.478 -0.887 7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.434 -1.521 6.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.125 -1.234 5.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 25.359 -0.078 5.652 1.00 0.00 H new ATOM 1193 N PRO A 76 21.506 5.864 6.361 1.00 0.00 N ATOM 1194 CA PRO A 76 20.773 6.913 5.613 1.00 0.00 C ATOM 1195 C PRO A 76 19.508 6.348 4.951 1.00 0.00 C ATOM 1196 O PRO A 76 19.033 5.285 5.314 1.00 0.00 O ATOM 1197 CB PRO A 76 21.791 7.409 4.579 1.00 0.00 C ATOM 1198 CG PRO A 76 22.832 6.282 4.417 1.00 0.00 C ATOM 1199 CD PRO A 76 22.779 5.452 5.711 1.00 0.00 C ATOM 0 HA PRO A 76 20.415 7.717 6.256 1.00 0.00 H new ATOM 0 HB2 PRO A 76 21.304 7.627 3.629 1.00 0.00 H new ATOM 0 HB3 PRO A 76 22.266 8.331 4.913 1.00 0.00 H new ATOM 0 HG2 PRO A 76 22.603 5.663 3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 76 23.829 6.694 4.260 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.789 4.383 5.498 1.00 0.00 H new ATOM 0 HD3 PRO A 76 23.637 5.658 6.351 1.00 0.00 H new ATOM 1207 N CYS A 77 18.953 7.077 4.004 1.00 0.00 N ATOM 1208 CA CYS A 77 17.698 6.643 3.310 1.00 0.00 C ATOM 1209 C CYS A 77 17.972 5.445 2.380 1.00 0.00 C ATOM 1210 O CYS A 77 17.775 5.508 1.172 1.00 0.00 O ATOM 1211 CB CYS A 77 17.129 7.827 2.517 1.00 0.00 C ATOM 1212 SG CYS A 77 16.297 8.970 3.648 1.00 0.00 S ATOM 0 H CYS A 77 19.326 7.969 3.680 1.00 0.00 H new ATOM 0 HA CYS A 77 16.969 6.322 4.054 1.00 0.00 H new ATOM 0 HB2 CYS A 77 17.930 8.342 1.987 1.00 0.00 H new ATOM 0 HB3 CYS A 77 16.427 7.470 1.763 1.00 0.00 H new ATOM 1217 N LYS A 78 18.399 4.342 2.953 1.00 0.00 N ATOM 1218 CA LYS A 78 18.666 3.103 2.152 1.00 0.00 C ATOM 1219 C LYS A 78 17.456 2.175 2.294 1.00 0.00 C ATOM 1220 O LYS A 78 17.097 1.790 3.394 1.00 0.00 O ATOM 1221 CB LYS A 78 19.922 2.405 2.679 1.00 0.00 C ATOM 1222 CG LYS A 78 21.153 2.993 1.987 1.00 0.00 C ATOM 1223 CD LYS A 78 22.347 2.960 2.940 1.00 0.00 C ATOM 1224 CE LYS A 78 23.544 3.649 2.282 1.00 0.00 C ATOM 1225 NZ LYS A 78 24.296 2.660 1.460 1.00 0.00 N ATOM 0 H LYS A 78 18.576 4.247 3.953 1.00 0.00 H new ATOM 0 HA LYS A 78 18.825 3.357 1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 78 20.000 2.536 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.862 1.333 2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 78 21.380 2.425 1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 78 20.952 4.018 1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 78 22.094 3.461 3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 78 22.599 1.929 3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 78 23.204 4.474 1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 78 24.196 4.075 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 25.110 3.128 1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 24.633 1.887 2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 23.671 2.274 0.724 1.00 0.00 H new ATOM 1239 N TYR A 79 16.809 1.844 1.191 1.00 0.00 N ATOM 1240 CA TYR A 79 15.592 0.969 1.250 1.00 0.00 C ATOM 1241 C TYR A 79 15.927 -0.473 0.852 1.00 0.00 C ATOM 1242 O TYR A 79 16.685 -0.715 -0.072 1.00 0.00 O ATOM 1243 CB TYR A 79 14.521 1.519 0.289 1.00 0.00 C ATOM 1244 CG TYR A 79 13.403 2.197 1.060 1.00 0.00 C ATOM 1245 CD1 TYR A 79 12.844 1.585 2.192 1.00 0.00 C ATOM 1246 CD2 TYR A 79 12.921 3.439 0.631 1.00 0.00 C ATOM 1247 CE1 TYR A 79 11.807 2.215 2.890 1.00 0.00 C ATOM 1248 CE2 TYR A 79 11.884 4.069 1.330 1.00 0.00 C ATOM 1249 CZ TYR A 79 11.328 3.458 2.460 1.00 0.00 C ATOM 1250 OH TYR A 79 10.306 4.079 3.149 1.00 0.00 O ATOM 0 H TYR A 79 17.076 2.145 0.254 1.00 0.00 H new ATOM 0 HA TYR A 79 15.220 0.969 2.275 1.00 0.00 H new ATOM 0 HB2 TYR A 79 14.976 2.229 -0.401 1.00 0.00 H new ATOM 0 HB3 TYR A 79 14.113 0.706 -0.312 1.00 0.00 H new ATOM 0 HD1 TYR A 79 13.214 0.627 2.525 1.00 0.00 H new ATOM 0 HD2 TYR A 79 13.349 3.912 -0.240 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.377 1.742 3.760 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.513 5.027 0.997 1.00 0.00 H new ATOM 0 HH TYR A 79 10.094 4.934 2.719 1.00 0.00 H new ATOM 1260 N LYS A 80 15.322 -1.423 1.537 1.00 0.00 N ATOM 1261 CA LYS A 80 15.533 -2.870 1.219 1.00 0.00 C ATOM 1262 C LYS A 80 14.171 -3.486 0.890 1.00 0.00 C ATOM 1263 O LYS A 80 13.184 -3.187 1.541 1.00 0.00 O ATOM 1264 CB LYS A 80 16.160 -3.594 2.415 1.00 0.00 C ATOM 1265 CG LYS A 80 15.383 -3.268 3.694 1.00 0.00 C ATOM 1266 CD LYS A 80 15.519 -4.427 4.691 1.00 0.00 C ATOM 1267 CE LYS A 80 14.249 -5.281 4.673 1.00 0.00 C ATOM 1268 NZ LYS A 80 14.407 -6.388 3.688 1.00 0.00 N ATOM 0 H LYS A 80 14.683 -1.249 2.313 1.00 0.00 H new ATOM 0 HA LYS A 80 16.210 -2.970 0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.155 -4.670 2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 80 17.202 -3.294 2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.763 -2.348 4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.332 -3.099 3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.383 -5.040 4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.691 -4.037 5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.058 -5.688 5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.388 -4.666 4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.893 -7.227 4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.023 -6.092 2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.416 -6.619 3.584 1.00 0.00 H new ATOM 1282 N LEU A 81 14.110 -4.317 -0.130 1.00 0.00 N ATOM 1283 CA LEU A 81 12.807 -4.938 -0.540 1.00 0.00 C ATOM 1284 C LEU A 81 12.606 -6.287 0.157 1.00 0.00 C ATOM 1285 O LEU A 81 13.555 -6.993 0.457 1.00 0.00 O ATOM 1286 CB LEU A 81 12.807 -5.140 -2.062 1.00 0.00 C ATOM 1287 CG LEU A 81 11.831 -4.158 -2.720 1.00 0.00 C ATOM 1288 CD1 LEU A 81 12.405 -3.685 -4.056 1.00 0.00 C ATOM 1289 CD2 LEU A 81 10.485 -4.851 -2.956 1.00 0.00 C ATOM 0 H LEU A 81 14.912 -4.592 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 81 11.991 -4.276 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.811 -4.988 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.522 -6.164 -2.301 1.00 0.00 H new ATOM 0 HG LEU A 81 11.685 -3.300 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.711 -2.987 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.360 -3.188 -3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.554 -4.543 -4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.793 -4.151 -3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.628 -5.711 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.075 -5.184 -2.003 1.00 0.00 H new ATOM 1301 N LYS A 82 11.360 -6.642 0.390 1.00 0.00 N ATOM 1302 CA LYS A 82 11.019 -7.944 1.044 1.00 0.00 C ATOM 1303 C LYS A 82 9.790 -8.528 0.339 1.00 0.00 C ATOM 1304 O LYS A 82 9.013 -7.795 -0.252 1.00 0.00 O ATOM 1305 CB LYS A 82 10.707 -7.710 2.527 1.00 0.00 C ATOM 1306 CG LYS A 82 11.264 -8.868 3.364 1.00 0.00 C ATOM 1307 CD LYS A 82 10.235 -9.288 4.419 1.00 0.00 C ATOM 1308 CE LYS A 82 10.958 -9.701 5.703 1.00 0.00 C ATOM 1309 NZ LYS A 82 10.033 -9.557 6.863 1.00 0.00 N ATOM 0 H LYS A 82 10.551 -6.069 0.148 1.00 0.00 H new ATOM 0 HA LYS A 82 11.858 -8.636 0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.145 -6.768 2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.630 -7.629 2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.502 -9.713 2.719 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.192 -8.565 3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.551 -8.464 4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.633 -10.117 4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.301 -10.733 5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.842 -9.081 5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.524 -9.838 7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.726 -8.566 6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.202 -10.166 6.722 1.00 0.00 H new ATOM 1323 N LYS A 83 9.616 -9.834 0.392 1.00 0.00 N ATOM 1324 CA LYS A 83 8.440 -10.474 -0.284 1.00 0.00 C ATOM 1325 C LYS A 83 7.608 -11.255 0.735 1.00 0.00 C ATOM 1326 O LYS A 83 8.142 -11.860 1.650 1.00 0.00 O ATOM 1327 CB LYS A 83 8.931 -11.426 -1.381 1.00 0.00 C ATOM 1328 CG LYS A 83 9.901 -12.450 -0.785 1.00 0.00 C ATOM 1329 CD LYS A 83 10.475 -13.321 -1.905 1.00 0.00 C ATOM 1330 CE LYS A 83 11.618 -14.181 -1.349 1.00 0.00 C ATOM 1331 NZ LYS A 83 11.810 -15.400 -2.193 1.00 0.00 N ATOM 0 H LYS A 83 10.239 -10.481 0.875 1.00 0.00 H new ATOM 0 HA LYS A 83 7.820 -9.695 -0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.083 -11.937 -1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.425 -10.861 -2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.707 -11.939 -0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.385 -13.072 -0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.695 -13.959 -2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.840 -12.693 -2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.540 -13.600 -1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.396 -14.473 -0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.587 -15.972 -1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.934 -15.961 -2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.043 -15.116 -3.166 1.00 0.00 H new ATOM 1345 N SER A 84 6.300 -11.240 0.570 1.00 0.00 N ATOM 1346 CA SER A 84 5.393 -11.976 1.509 1.00 0.00 C ATOM 1347 C SER A 84 4.090 -12.337 0.788 1.00 0.00 C ATOM 1348 O SER A 84 3.908 -12.023 -0.377 1.00 0.00 O ATOM 1349 CB SER A 84 5.078 -11.091 2.715 1.00 0.00 C ATOM 1350 OG SER A 84 6.180 -11.109 3.613 1.00 0.00 O ATOM 0 H SER A 84 5.822 -10.744 -0.182 1.00 0.00 H new ATOM 0 HA SER A 84 5.886 -12.888 1.846 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.877 -10.071 2.389 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.179 -11.448 3.217 1.00 0.00 H new ATOM 0 HG SER A 84 6.985 -11.402 3.137 1.00 0.00 H new ATOM 1356 N SER A 85 3.191 -12.998 1.486 1.00 0.00 N ATOM 1357 CA SER A 85 1.880 -13.401 0.882 1.00 0.00 C ATOM 1358 C SER A 85 0.829 -13.512 1.987 1.00 0.00 C ATOM 1359 O SER A 85 0.924 -14.370 2.850 1.00 0.00 O ATOM 1360 CB SER A 85 2.032 -14.757 0.192 1.00 0.00 C ATOM 1361 OG SER A 85 0.878 -15.014 -0.598 1.00 0.00 O ATOM 0 H SER A 85 3.314 -13.277 2.459 1.00 0.00 H new ATOM 0 HA SER A 85 1.570 -12.654 0.152 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.924 -14.761 -0.434 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.161 -15.544 0.935 1.00 0.00 H new ATOM 0 HG SER A 85 0.973 -15.882 -1.043 1.00 0.00 H new ATOM 1367 N ASN A 86 -0.164 -12.643 1.968 1.00 0.00 N ATOM 1368 CA ASN A 86 -1.232 -12.681 3.023 1.00 0.00 C ATOM 1369 C ASN A 86 -2.355 -11.703 2.679 1.00 0.00 C ATOM 1370 O ASN A 86 -2.295 -11.001 1.683 1.00 0.00 O ATOM 1371 CB ASN A 86 -0.621 -12.302 4.373 1.00 0.00 C ATOM 1372 CG ASN A 86 0.121 -10.971 4.245 1.00 0.00 C ATOM 1373 OD1 ASN A 86 1.295 -10.944 3.933 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -0.519 -9.857 4.472 1.00 0.00 N ATOM 0 H ASN A 86 -0.278 -11.911 1.267 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.647 -13.688 3.073 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -1.403 -12.223 5.128 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.065 -13.082 4.705 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.034 -8.964 4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.505 -9.879 4.734 1.00 0.00 H new ATOM 1381 N ARG A 87 -3.376 -11.664 3.509 1.00 0.00 N ATOM 1382 CA ARG A 87 -4.536 -10.744 3.278 1.00 0.00 C ATOM 1383 C ARG A 87 -4.196 -9.344 3.801 1.00 0.00 C ATOM 1384 O ARG A 87 -3.086 -9.097 4.246 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.761 -11.280 4.023 1.00 0.00 C ATOM 1386 CG ARG A 87 -6.089 -12.703 3.540 1.00 0.00 C ATOM 1387 CD ARG A 87 -6.027 -13.679 4.719 1.00 0.00 C ATOM 1388 NE ARG A 87 -7.148 -14.655 4.620 1.00 0.00 N ATOM 1389 CZ ARG A 87 -7.687 -15.140 5.704 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -8.627 -14.474 6.319 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -7.283 -16.288 6.175 1.00 0.00 N ATOM 0 H ARG A 87 -3.453 -12.240 4.347 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.749 -10.689 2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.570 -11.286 5.096 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.615 -10.624 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.082 -12.724 3.090 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.383 -13.006 2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.072 -14.205 4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.089 -13.133 5.660 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.494 -14.944 3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.939 -13.575 5.951 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.049 -14.853 7.167 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.546 -16.805 5.695 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.704 -16.668 7.023 1.00 0.00 H new ATOM 1405 N ILE A 88 -5.147 -8.431 3.744 1.00 0.00 N ATOM 1406 CA ILE A 88 -4.897 -7.034 4.229 1.00 0.00 C ATOM 1407 C ILE A 88 -6.218 -6.370 4.617 1.00 0.00 C ATOM 1408 O ILE A 88 -7.239 -6.583 3.984 1.00 0.00 O ATOM 1409 CB ILE A 88 -4.230 -6.213 3.117 1.00 0.00 C ATOM 1410 CG1 ILE A 88 -5.014 -6.381 1.810 1.00 0.00 C ATOM 1411 CG2 ILE A 88 -2.790 -6.691 2.914 1.00 0.00 C ATOM 1412 CD1 ILE A 88 -4.884 -5.112 0.965 1.00 0.00 C ATOM 0 H ILE A 88 -6.086 -8.598 3.381 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.243 -7.076 5.100 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.224 -5.161 3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.635 -7.239 1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.064 -6.579 2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.320 -6.105 2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.231 -6.564 3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.792 -7.744 2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.442 -5.234 0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.284 -4.263 1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.833 -4.934 0.736 1.00 0.00 H new ATOM 1424 N CYS A 89 -6.187 -5.553 5.648 1.00 0.00 N ATOM 1425 CA CYS A 89 -7.414 -4.830 6.105 1.00 0.00 C ATOM 1426 C CYS A 89 -7.360 -3.407 5.546 1.00 0.00 C ATOM 1427 O CYS A 89 -6.434 -2.666 5.832 1.00 0.00 O ATOM 1428 CB CYS A 89 -7.440 -4.794 7.635 1.00 0.00 C ATOM 1429 SG CYS A 89 -9.154 -4.729 8.210 1.00 0.00 S ATOM 0 H CYS A 89 -5.350 -5.357 6.197 1.00 0.00 H new ATOM 0 HA CYS A 89 -8.314 -5.334 5.752 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.944 -5.677 8.038 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.891 -3.925 7.998 1.00 0.00 H new ATOM 0 HG CYS A 89 -9.175 -4.701 9.510 1.00 0.00 H new ATOM 1434 N ILE A 90 -8.323 -3.039 4.724 1.00 0.00 N ATOM 1435 CA ILE A 90 -8.321 -1.676 4.101 1.00 0.00 C ATOM 1436 C ILE A 90 -9.609 -0.911 4.452 1.00 0.00 C ATOM 1437 O ILE A 90 -10.673 -1.495 4.564 1.00 0.00 O ATOM 1438 CB ILE A 90 -8.199 -1.844 2.577 1.00 0.00 C ATOM 1439 CG1 ILE A 90 -8.118 -0.475 1.897 1.00 0.00 C ATOM 1440 CG2 ILE A 90 -9.409 -2.609 2.032 1.00 0.00 C ATOM 1441 CD1 ILE A 90 -6.661 -0.017 1.848 1.00 0.00 C ATOM 0 H ILE A 90 -9.112 -3.629 4.459 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.480 -1.098 4.485 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.289 -2.406 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.526 -0.533 0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.721 0.251 2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.312 -2.722 0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.457 -3.594 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -10.321 -2.056 2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.602 0.958 1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.269 0.057 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.071 -0.739 1.283 1.00 0.00 H new ATOM 1453 N ARG A 91 -9.508 0.401 4.595 1.00 0.00 N ATOM 1454 CA ARG A 91 -10.702 1.248 4.904 1.00 0.00 C ATOM 1455 C ARG A 91 -11.218 1.817 3.585 1.00 0.00 C ATOM 1456 O ARG A 91 -10.473 2.456 2.856 1.00 0.00 O ATOM 1457 CB ARG A 91 -10.292 2.390 5.838 1.00 0.00 C ATOM 1458 CG ARG A 91 -11.477 2.783 6.733 1.00 0.00 C ATOM 1459 CD ARG A 91 -11.010 2.929 8.186 1.00 0.00 C ATOM 1460 NE ARG A 91 -10.921 4.374 8.535 1.00 0.00 N ATOM 1461 CZ ARG A 91 -9.898 4.821 9.210 1.00 0.00 C ATOM 1462 NH1 ARG A 91 -9.733 4.466 10.456 1.00 0.00 N ATOM 1463 NH2 ARG A 91 -9.040 5.624 8.642 1.00 0.00 N ATOM 0 H ARG A 91 -8.634 0.919 4.508 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.477 0.659 5.395 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.446 2.083 6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.965 3.250 5.254 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.911 3.721 6.386 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.259 2.027 6.668 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.706 2.424 8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.039 2.452 8.317 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.660 5.015 8.246 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.404 3.840 10.901 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.933 4.815 10.984 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.169 5.903 7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.241 5.973 9.171 1.00 0.00 H new ATOM 1477 N CYS A 92 -12.469 1.562 3.256 1.00 0.00 N ATOM 1478 CA CYS A 92 -13.021 2.052 1.955 1.00 0.00 C ATOM 1479 C CYS A 92 -14.293 2.880 2.148 1.00 0.00 C ATOM 1480 O CYS A 92 -15.121 2.593 2.995 1.00 0.00 O ATOM 1481 CB CYS A 92 -13.334 0.848 1.063 1.00 0.00 C ATOM 1482 SG CYS A 92 -13.546 1.398 -0.649 1.00 0.00 S ATOM 0 H CYS A 92 -13.125 1.037 3.834 1.00 0.00 H new ATOM 0 HA CYS A 92 -12.273 2.695 1.491 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.527 0.118 1.124 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -14.240 0.351 1.411 1.00 0.00 H new ATOM 1487 N GLU A 93 -14.440 3.891 1.323 1.00 0.00 N ATOM 1488 CA GLU A 93 -15.642 4.780 1.354 1.00 0.00 C ATOM 1489 C GLU A 93 -15.804 5.376 -0.048 1.00 0.00 C ATOM 1490 O GLU A 93 -14.822 5.638 -0.723 1.00 0.00 O ATOM 1491 CB GLU A 93 -15.470 5.902 2.386 1.00 0.00 C ATOM 1492 CG GLU A 93 -14.071 6.514 2.279 1.00 0.00 C ATOM 1493 CD GLU A 93 -13.880 7.541 3.396 1.00 0.00 C ATOM 1494 OE1 GLU A 93 -14.602 8.526 3.397 1.00 0.00 O ATOM 1495 OE2 GLU A 93 -13.018 7.327 4.231 1.00 0.00 O ATOM 0 H GLU A 93 -13.755 4.142 0.610 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.524 4.207 1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -16.224 6.672 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.626 5.508 3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.314 5.734 2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.943 6.990 1.307 1.00 0.00 H new ATOM 1502 N HIS A 94 -17.029 5.551 -0.498 1.00 0.00 N ATOM 1503 CA HIS A 94 -17.280 6.090 -1.876 1.00 0.00 C ATOM 1504 C HIS A 94 -16.645 5.129 -2.894 1.00 0.00 C ATOM 1505 O HIS A 94 -16.199 5.537 -3.959 1.00 0.00 O ATOM 1506 CB HIS A 94 -16.640 7.479 -2.021 1.00 0.00 C ATOM 1507 CG HIS A 94 -17.216 8.423 -1.008 1.00 0.00 C ATOM 1508 ND1 HIS A 94 -18.513 8.904 -1.093 1.00 0.00 N ATOM 1509 CD2 HIS A 94 -16.673 8.998 0.109 1.00 0.00 C ATOM 1510 CE1 HIS A 94 -18.706 9.732 -0.050 1.00 0.00 C ATOM 1511 NE2 HIS A 94 -17.615 9.825 0.715 1.00 0.00 N ATOM 0 H HIS A 94 -17.872 5.341 0.037 1.00 0.00 H new ATOM 0 HA HIS A 94 -18.353 6.176 -2.050 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -15.561 7.406 -1.888 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -16.812 7.864 -3.026 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -15.667 8.835 0.466 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -19.630 10.257 0.145 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.497 10.382 1.561 1.00 0.00 H new ATOM 1519 N GLU A 95 -16.579 3.850 -2.554 1.00 0.00 N ATOM 1520 CA GLU A 95 -15.943 2.846 -3.467 1.00 0.00 C ATOM 1521 C GLU A 95 -14.477 3.266 -3.666 1.00 0.00 C ATOM 1522 O GLU A 95 -13.930 3.204 -4.758 1.00 0.00 O ATOM 1523 CB GLU A 95 -16.692 2.835 -4.809 1.00 0.00 C ATOM 1524 CG GLU A 95 -16.252 1.627 -5.635 1.00 0.00 C ATOM 1525 CD GLU A 95 -17.007 1.617 -6.967 1.00 0.00 C ATOM 1526 OE1 GLU A 95 -18.186 1.300 -6.954 1.00 0.00 O ATOM 1527 OE2 GLU A 95 -16.394 1.926 -7.976 1.00 0.00 O ATOM 0 H GLU A 95 -16.941 3.466 -1.681 1.00 0.00 H new ATOM 0 HA GLU A 95 -15.988 1.842 -3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -17.767 2.797 -4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -16.490 3.755 -5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -15.178 1.667 -5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -16.449 0.706 -5.086 1.00 0.00 H new ATOM 1534 N LEU A 96 -13.865 3.739 -2.598 1.00 0.00 N ATOM 1535 CA LEU A 96 -12.457 4.234 -2.664 1.00 0.00 C ATOM 1536 C LEU A 96 -11.695 3.902 -1.357 1.00 0.00 C ATOM 1537 O LEU A 96 -11.989 4.494 -0.333 1.00 0.00 O ATOM 1538 CB LEU A 96 -12.526 5.755 -2.821 1.00 0.00 C ATOM 1539 CG LEU A 96 -11.262 6.274 -3.492 1.00 0.00 C ATOM 1540 CD1 LEU A 96 -11.471 6.303 -5.009 1.00 0.00 C ATOM 1541 CD2 LEU A 96 -10.973 7.691 -2.984 1.00 0.00 C ATOM 0 H LEU A 96 -14.293 3.801 -1.674 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.933 3.760 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.399 6.027 -3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.646 6.223 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.421 5.623 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.568 6.674 -5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.687 5.296 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -12.307 6.960 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -10.069 8.071 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.812 8.343 -3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.832 7.668 -1.903 1.00 0.00 H new ATOM 1553 N PRO A 97 -10.710 3.002 -1.422 1.00 0.00 N ATOM 1554 CA PRO A 97 -9.891 2.649 -0.241 1.00 0.00 C ATOM 1555 C PRO A 97 -8.885 3.774 -0.014 1.00 0.00 C ATOM 1556 O PRO A 97 -7.982 3.977 -0.810 1.00 0.00 O ATOM 1557 CB PRO A 97 -9.204 1.343 -0.640 1.00 0.00 C ATOM 1558 CG PRO A 97 -9.205 1.307 -2.183 1.00 0.00 C ATOM 1559 CD PRO A 97 -10.323 2.260 -2.647 1.00 0.00 C ATOM 0 HA PRO A 97 -10.455 2.526 0.684 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -8.187 1.304 -0.251 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -9.735 0.484 -0.231 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.239 1.622 -2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -9.383 0.295 -2.546 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.970 2.936 -3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.168 1.709 -3.061 1.00 0.00 H new ATOM 1567 N VAL A 98 -9.078 4.533 1.039 1.00 0.00 N ATOM 1568 CA VAL A 98 -8.188 5.704 1.321 1.00 0.00 C ATOM 1569 C VAL A 98 -7.149 5.375 2.398 1.00 0.00 C ATOM 1570 O VAL A 98 -6.122 6.030 2.480 1.00 0.00 O ATOM 1571 CB VAL A 98 -9.067 6.873 1.787 1.00 0.00 C ATOM 1572 CG1 VAL A 98 -10.139 7.142 0.730 1.00 0.00 C ATOM 1573 CG2 VAL A 98 -9.751 6.521 3.120 1.00 0.00 C ATOM 0 H VAL A 98 -9.822 4.389 1.722 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.645 5.965 0.412 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.445 7.757 1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.768 7.971 1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.661 7.396 -0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.752 6.251 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.372 7.357 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.374 5.636 2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.992 6.320 3.876 1.00 0.00 H new ATOM 1583 N HIS A 99 -7.417 4.391 3.230 1.00 0.00 N ATOM 1584 CA HIS A 99 -6.449 4.043 4.321 1.00 0.00 C ATOM 1585 C HIS A 99 -6.406 2.534 4.548 1.00 0.00 C ATOM 1586 O HIS A 99 -7.132 1.779 3.924 1.00 0.00 O ATOM 1587 CB HIS A 99 -6.876 4.737 5.615 1.00 0.00 C ATOM 1588 CG HIS A 99 -6.474 6.185 5.561 1.00 0.00 C ATOM 1589 ND1 HIS A 99 -7.321 7.202 5.969 1.00 0.00 N ATOM 1590 CD2 HIS A 99 -5.320 6.801 5.143 1.00 0.00 C ATOM 1591 CE1 HIS A 99 -6.671 8.366 5.792 1.00 0.00 C ATOM 1592 NE2 HIS A 99 -5.446 8.179 5.291 1.00 0.00 N ATOM 0 H HIS A 99 -8.260 3.818 3.200 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.455 4.378 4.025 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -7.955 4.652 5.747 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.411 4.251 6.472 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -8.266 7.089 6.337 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.448 6.293 4.758 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.088 9.334 6.026 1.00 0.00 H new ATOM 1600 N PHE A 100 -5.546 2.106 5.450 1.00 0.00 N ATOM 1601 CA PHE A 100 -5.404 0.652 5.764 1.00 0.00 C ATOM 1602 C PHE A 100 -5.645 0.423 7.257 1.00 0.00 C ATOM 1603 O PHE A 100 -5.058 1.088 8.095 1.00 0.00 O ATOM 1604 CB PHE A 100 -3.991 0.186 5.398 1.00 0.00 C ATOM 1605 CG PHE A 100 -2.972 1.096 6.047 1.00 0.00 C ATOM 1606 CD1 PHE A 100 -2.590 2.285 5.411 1.00 0.00 C ATOM 1607 CD2 PHE A 100 -2.416 0.754 7.284 1.00 0.00 C ATOM 1608 CE1 PHE A 100 -1.650 3.129 6.015 1.00 0.00 C ATOM 1609 CE2 PHE A 100 -1.476 1.599 7.888 1.00 0.00 C ATOM 1610 CZ PHE A 100 -1.093 2.786 7.253 1.00 0.00 C ATOM 0 H PHE A 100 -4.930 2.717 5.987 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.135 0.085 5.188 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.839 -0.841 5.729 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.864 0.194 4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.020 2.550 4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.712 -0.162 7.774 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.354 4.045 5.526 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.047 1.335 8.843 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.368 3.437 7.718 1.00 0.00 H new ATOM 1620 N ALA A 101 -6.505 -0.518 7.583 1.00 0.00 N ATOM 1621 CA ALA A 101 -6.813 -0.828 9.014 1.00 0.00 C ATOM 1622 C ALA A 101 -5.671 -1.651 9.614 1.00 0.00 C ATOM 1623 O ALA A 101 -5.324 -1.487 10.772 1.00 0.00 O ATOM 1624 CB ALA A 101 -8.119 -1.631 9.091 1.00 0.00 C ATOM 0 H ALA A 101 -7.011 -1.090 6.907 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.923 0.101 9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.346 -1.858 10.133 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.932 -1.045 8.662 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.008 -2.561 8.533 1.00 0.00 H new ATOM 1630 N GLY A 102 -5.097 -2.534 8.825 1.00 0.00 N ATOM 1631 CA GLY A 102 -3.976 -3.392 9.318 1.00 0.00 C ATOM 1632 C GLY A 102 -3.660 -4.466 8.276 1.00 0.00 C ATOM 1633 O GLY A 102 -3.904 -4.282 7.095 1.00 0.00 O ATOM 0 H GLY A 102 -5.362 -2.695 7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.093 -2.782 9.506 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.250 -3.858 10.265 1.00 0.00 H new ATOM 1637 N VAL A 103 -3.112 -5.578 8.716 1.00 0.00 N ATOM 1638 CA VAL A 103 -2.756 -6.688 7.780 1.00 0.00 C ATOM 1639 C VAL A 103 -3.230 -8.030 8.355 1.00 0.00 C ATOM 1640 O VAL A 103 -3.501 -8.141 9.539 1.00 0.00 O ATOM 1641 CB VAL A 103 -1.233 -6.700 7.590 1.00 0.00 C ATOM 1642 CG1 VAL A 103 -0.532 -6.993 8.924 1.00 0.00 C ATOM 1643 CG2 VAL A 103 -0.854 -7.768 6.560 1.00 0.00 C ATOM 0 H VAL A 103 -2.895 -5.762 9.696 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.245 -6.535 6.818 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.913 -5.721 7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.548 -6.998 8.774 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.794 -6.223 9.649 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.851 -7.966 9.297 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.228 -7.776 6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.183 -8.746 6.912 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.336 -7.543 5.609 1.00 0.00 H new ATOM 1653 N GLY A 104 -3.321 -9.041 7.515 1.00 0.00 N ATOM 1654 CA GLY A 104 -3.764 -10.394 7.977 1.00 0.00 C ATOM 1655 C GLY A 104 -5.286 -10.418 8.135 1.00 0.00 C ATOM 1656 O GLY A 104 -6.011 -10.600 7.170 1.00 0.00 O ATOM 0 H GLY A 104 -3.104 -8.981 6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.452 -11.153 7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.287 -10.638 8.926 1.00 0.00 H new ATOM 1660 N ILE A 105 -5.763 -10.245 9.350 1.00 0.00 N ATOM 1661 CA ILE A 105 -7.237 -10.261 9.610 1.00 0.00 C ATOM 1662 C ILE A 105 -7.613 -9.091 10.523 1.00 0.00 C ATOM 1663 O ILE A 105 -6.779 -8.572 11.247 1.00 0.00 O ATOM 1664 CB ILE A 105 -7.612 -11.579 10.291 1.00 0.00 C ATOM 1665 CG1 ILE A 105 -6.738 -11.781 11.541 1.00 0.00 C ATOM 1666 CG2 ILE A 105 -7.383 -12.736 9.313 1.00 0.00 C ATOM 1667 CD1 ILE A 105 -7.594 -12.315 12.693 1.00 0.00 C ATOM 0 H ILE A 105 -5.186 -10.092 10.177 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.774 -10.167 8.666 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.661 -11.552 10.586 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.930 -12.480 11.322 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.274 -10.837 11.828 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.649 -13.677 9.794 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.003 -12.593 8.428 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.333 -12.762 9.020 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.970 -12.456 13.575 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -8.386 -11.601 12.919 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -8.037 -13.269 12.406 1.00 0.00 H new