USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1019 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 143 GLN : amide:sc= 0.124 X(o=0.29,f=0.044) USER MOD Set 1.2: A 144 ASN : amide:sc= 0.166 K(o=0.29,f=-0.22) USER MOD Set 2.1: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 163 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 40 THR OG1 : rot -162:sc= 0.18 USER MOD Set 3.2: A 98 TYR OH : rot 30:sc= 0.0522 USER MOD Set 4.1: A 37 HIS : no HD1:sc= -0.309 X(o=0.56,f=0.47) USER MOD Set 4.2: A 53 SER OG : rot 77:sc= 0.865 USER MOD Single : A 14 GLN : amide:sc= -0.0339 X(o=-0.034,f=-0.034) USER MOD Single : A 15 LYS NZ :NH3+ -166:sc= -1.05 (180deg=-1.29) USER MOD Single : A 19 GLN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 32 THR OG1 : rot 85:sc= -0.183 USER MOD Single : A 33 LYS NZ :NH3+ 148:sc= -0.152 (180deg=-1.7!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= 0.00572 X(o=0.0057,f=-0.12) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -166:sc= -0.986 (180deg=-1.73) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot -19:sc= 0.0227 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -119:sc= -0.0554 (180deg=-3.98!) USER MOD Single : A 87 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.17) USER MOD Single : A 90 CYS SG : rot -130:sc= -0.63 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.572 X(o=-0.57,f=-0.58) USER MOD Single : A 103 LYS NZ :NH3+ 154:sc= 0.0787 (180deg=0.00267) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 GLN : amide:sc= -0.469 K(o=-0.47,f=-1.7) USER MOD Single : A 151 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.052) USER MOD Single : A 152 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 154 MET CE :methyl 168:sc= -0.183 (180deg=-0.651) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ILE A 5 21.641 -4.711 -10.709 1.00 0.00 N ATOM 43 CA ILE A 5 22.134 -3.488 -9.992 1.00 0.00 C ATOM 44 C ILE A 5 23.102 -2.596 -10.855 1.00 0.00 C ATOM 45 O ILE A 5 22.975 -1.369 -10.823 1.00 0.00 O ATOM 46 CB ILE A 5 22.779 -3.892 -8.610 1.00 0.00 C ATOM 47 CG1 ILE A 5 21.874 -4.749 -7.669 1.00 0.00 C ATOM 48 CG2 ILE A 5 23.379 -2.706 -7.804 1.00 0.00 C ATOM 49 CD1 ILE A 5 20.641 -4.051 -7.080 1.00 0.00 C ATOM 0 HA ILE A 5 21.265 -2.858 -9.804 1.00 0.00 H new ATOM 0 HB ILE A 5 23.597 -4.531 -8.943 1.00 0.00 H new ATOM 0 HG12 ILE A 5 21.537 -5.624 -8.224 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.487 -5.112 -6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 5 23.800 -3.077 -6.869 1.00 0.00 H new ATOM 0 HG22 ILE A 5 24.163 -2.227 -8.390 1.00 0.00 H new ATOM 0 HG23 ILE A 5 22.595 -1.981 -7.586 1.00 0.00 H new ATOM 0 HD11 ILE A 5 20.096 -4.750 -6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 5 20.957 -3.193 -6.487 1.00 0.00 H new ATOM 0 HD13 ILE A 5 19.993 -3.714 -7.889 1.00 0.00 H new ATOM 61 N ALA A 6 24.027 -3.212 -11.623 1.00 0.00 N ATOM 62 CA ALA A 6 24.880 -2.496 -12.606 1.00 0.00 C ATOM 63 C ALA A 6 24.166 -1.846 -13.831 1.00 0.00 C ATOM 64 O ALA A 6 24.659 -0.818 -14.300 1.00 0.00 O ATOM 65 CB ALA A 6 25.994 -3.451 -13.065 1.00 0.00 C ATOM 0 H ALA A 6 24.206 -4.215 -11.582 1.00 0.00 H new ATOM 0 HA ALA A 6 25.268 -1.629 -12.072 1.00 0.00 H new ATOM 0 HB1 ALA A 6 26.633 -2.944 -13.788 1.00 0.00 H new ATOM 0 HB2 ALA A 6 26.590 -3.755 -12.205 1.00 0.00 H new ATOM 0 HB3 ALA A 6 25.550 -4.332 -13.528 1.00 0.00 H new ATOM 71 N ARG A 7 23.041 -2.406 -14.332 1.00 0.00 N ATOM 72 CA ARG A 7 22.191 -1.748 -15.371 1.00 0.00 C ATOM 73 C ARG A 7 21.124 -0.727 -14.839 1.00 0.00 C ATOM 74 O ARG A 7 20.794 0.209 -15.572 1.00 0.00 O ATOM 75 CB ARG A 7 21.623 -2.801 -16.362 1.00 0.00 C ATOM 76 CG ARG A 7 20.431 -3.674 -15.908 1.00 0.00 C ATOM 77 CD ARG A 7 19.110 -3.377 -16.636 1.00 0.00 C ATOM 78 NE ARG A 7 18.022 -4.263 -16.153 1.00 0.00 N ATOM 79 CZ ARG A 7 16.715 -4.087 -16.431 1.00 0.00 C ATOM 80 NH1 ARG A 7 16.239 -3.084 -17.170 1.00 0.00 N ATOM 81 NH2 ARG A 7 15.851 -4.955 -15.937 1.00 0.00 N ATOM 0 H ARG A 7 22.693 -3.318 -14.036 1.00 0.00 H new ATOM 0 HA ARG A 7 22.860 -1.092 -15.927 1.00 0.00 H new ATOM 0 HB2 ARG A 7 21.322 -2.275 -17.268 1.00 0.00 H new ATOM 0 HB3 ARG A 7 22.438 -3.470 -16.637 1.00 0.00 H new ATOM 0 HG2 ARG A 7 20.687 -4.723 -16.059 1.00 0.00 H new ATOM 0 HG3 ARG A 7 20.281 -3.534 -14.838 1.00 0.00 H new ATOM 0 HD2 ARG A 7 18.831 -2.335 -16.479 1.00 0.00 H new ATOM 0 HD3 ARG A 7 19.244 -3.513 -17.709 1.00 0.00 H new ATOM 0 HE ARG A 7 18.281 -5.060 -15.571 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.877 -2.392 -17.563 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.237 -3.009 -17.343 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.180 -5.731 -15.363 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.855 -4.849 -16.129 1.00 0.00 H new ATOM 95 N LEU A 8 20.589 -0.880 -13.603 1.00 0.00 N ATOM 96 CA LEU A 8 19.643 0.093 -12.985 1.00 0.00 C ATOM 97 C LEU A 8 20.324 1.384 -12.432 1.00 0.00 C ATOM 98 O LEU A 8 19.726 2.454 -12.554 1.00 0.00 O ATOM 99 CB LEU A 8 18.714 -0.550 -11.907 1.00 0.00 C ATOM 100 CG LEU A 8 17.882 -1.813 -12.286 1.00 0.00 C ATOM 101 CD1 LEU A 8 16.890 -2.228 -11.190 1.00 0.00 C ATOM 102 CD2 LEU A 8 17.089 -1.705 -13.600 1.00 0.00 C ATOM 0 H LEU A 8 20.798 -1.679 -13.004 1.00 0.00 H new ATOM 0 HA LEU A 8 19.014 0.407 -13.818 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.335 -0.809 -11.049 1.00 0.00 H new ATOM 0 HB3 LEU A 8 18.015 0.217 -11.574 1.00 0.00 H new ATOM 0 HG LEU A 8 18.658 -2.567 -12.413 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.341 -3.113 -11.512 1.00 0.00 H new ATOM 0 HD12 LEU A 8 17.434 -2.453 -10.273 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.190 -1.413 -11.006 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.545 -2.633 -13.774 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.383 -0.878 -13.532 1.00 0.00 H new ATOM 0 HD23 LEU A 8 17.777 -1.528 -14.427 1.00 0.00 H new ATOM 114 N ARG A 9 21.563 1.337 -11.884 1.00 0.00 N ATOM 115 CA ARG A 9 22.378 2.559 -11.612 1.00 0.00 C ATOM 116 C ARG A 9 22.613 3.511 -12.837 1.00 0.00 C ATOM 117 O ARG A 9 22.452 4.726 -12.698 1.00 0.00 O ATOM 118 CB ARG A 9 23.677 2.207 -10.832 1.00 0.00 C ATOM 119 CG ARG A 9 24.793 1.474 -11.609 1.00 0.00 C ATOM 120 CD ARG A 9 25.943 0.988 -10.709 1.00 0.00 C ATOM 121 NE ARG A 9 27.053 0.443 -11.530 1.00 0.00 N ATOM 122 CZ ARG A 9 27.946 -0.474 -11.107 1.00 0.00 C ATOM 123 NH1 ARG A 9 27.954 -1.000 -9.884 1.00 0.00 N ATOM 124 NH2 ARG A 9 28.870 -0.877 -11.961 1.00 0.00 N ATOM 0 H ARG A 9 22.025 0.467 -11.619 1.00 0.00 H new ATOM 0 HA ARG A 9 21.758 3.176 -10.961 1.00 0.00 H new ATOM 0 HB2 ARG A 9 24.094 3.133 -10.436 1.00 0.00 H new ATOM 0 HB3 ARG A 9 23.400 1.590 -9.977 1.00 0.00 H new ATOM 0 HG2 ARG A 9 24.362 0.619 -12.130 1.00 0.00 H new ATOM 0 HG3 ARG A 9 25.195 2.142 -12.371 1.00 0.00 H new ATOM 0 HD2 ARG A 9 26.307 1.813 -10.097 1.00 0.00 H new ATOM 0 HD3 ARG A 9 25.578 0.221 -10.026 1.00 0.00 H new ATOM 0 HE ARG A 9 27.147 0.788 -12.485 1.00 0.00 H new ATOM 0 HH11 ARG A 9 27.254 -0.712 -9.200 1.00 0.00 H new ATOM 0 HH12 ARG A 9 28.660 -1.691 -9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 9 28.892 -0.495 -12.907 1.00 0.00 H new ATOM 0 HH22 ARG A 9 29.562 -1.570 -11.675 1.00 0.00 H new ATOM 138 N GLU A 10 22.932 2.951 -14.023 1.00 0.00 N ATOM 139 CA GLU A 10 22.947 3.693 -15.319 1.00 0.00 C ATOM 140 C GLU A 10 21.571 3.983 -16.016 1.00 0.00 C ATOM 141 O GLU A 10 21.571 4.636 -17.065 1.00 0.00 O ATOM 142 CB GLU A 10 23.942 2.988 -16.288 1.00 0.00 C ATOM 143 CG GLU A 10 23.636 1.513 -16.640 1.00 0.00 C ATOM 144 CD GLU A 10 24.612 0.903 -17.647 1.00 0.00 C ATOM 145 OE1 GLU A 10 24.418 1.094 -18.867 1.00 0.00 O ATOM 146 OE2 GLU A 10 25.575 0.226 -17.221 1.00 0.00 O ATOM 0 H GLU A 10 23.189 1.968 -14.118 1.00 0.00 H new ATOM 0 HA GLU A 10 23.273 4.700 -15.058 1.00 0.00 H new ATOM 0 HB2 GLU A 10 23.978 3.560 -17.215 1.00 0.00 H new ATOM 0 HB3 GLU A 10 24.938 3.034 -15.847 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.654 0.920 -15.726 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.625 1.448 -17.043 1.00 0.00 H new ATOM 153 N ASP A 11 20.419 3.565 -15.449 1.00 0.00 N ATOM 154 CA ASP A 11 19.067 3.952 -15.952 1.00 0.00 C ATOM 155 C ASP A 11 18.507 5.304 -15.383 1.00 0.00 C ATOM 156 O ASP A 11 17.304 5.549 -15.509 1.00 0.00 O ATOM 157 CB ASP A 11 18.159 2.708 -15.698 1.00 0.00 C ATOM 158 CG ASP A 11 16.799 2.707 -16.409 1.00 0.00 C ATOM 159 OD1 ASP A 11 16.769 2.599 -17.654 1.00 0.00 O ATOM 160 OD2 ASP A 11 15.756 2.809 -15.727 1.00 0.00 O ATOM 0 H ASP A 11 20.391 2.953 -14.634 1.00 0.00 H new ATOM 0 HA ASP A 11 19.108 4.192 -17.014 1.00 0.00 H new ATOM 0 HB2 ASP A 11 18.706 1.816 -16.003 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.985 2.624 -14.625 1.00 0.00 H new ATOM 165 N GLY A 12 19.344 6.192 -14.803 1.00 0.00 N ATOM 166 CA GLY A 12 18.862 7.400 -14.085 1.00 0.00 C ATOM 167 C GLY A 12 18.584 7.218 -12.568 1.00 0.00 C ATOM 168 O GLY A 12 18.911 8.087 -11.756 1.00 0.00 O ATOM 0 H GLY A 12 20.360 6.097 -14.816 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.601 8.192 -14.207 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.945 7.743 -14.565 1.00 0.00 H new ATOM 172 N ILE A 13 17.973 6.078 -12.221 1.00 0.00 N ATOM 173 CA ILE A 13 17.687 5.630 -10.830 1.00 0.00 C ATOM 174 C ILE A 13 18.964 5.084 -10.109 1.00 0.00 C ATOM 175 O ILE A 13 20.018 4.881 -10.723 1.00 0.00 O ATOM 176 CB ILE A 13 16.508 4.585 -10.893 1.00 0.00 C ATOM 177 CG1 ILE A 13 16.855 3.289 -11.706 1.00 0.00 C ATOM 178 CG2 ILE A 13 15.192 5.251 -11.354 1.00 0.00 C ATOM 179 CD1 ILE A 13 15.734 2.483 -12.376 1.00 0.00 C ATOM 0 H ILE A 13 17.648 5.409 -12.919 1.00 0.00 H new ATOM 0 HA ILE A 13 17.377 6.477 -10.218 1.00 0.00 H new ATOM 0 HB ILE A 13 16.354 4.233 -9.873 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.561 3.574 -12.486 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.382 2.614 -11.031 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.399 4.504 -11.387 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.919 6.040 -10.653 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.329 5.679 -12.347 1.00 0.00 H new ATOM 0 HD11 ILE A 13 16.162 1.623 -12.891 1.00 0.00 H new ATOM 0 HD12 ILE A 13 15.030 2.139 -11.618 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.212 3.114 -13.095 1.00 0.00 H new ATOM 191 N GLN A 14 18.848 4.858 -8.788 1.00 0.00 N ATOM 192 CA GLN A 14 19.946 4.301 -7.952 1.00 0.00 C ATOM 193 C GLN A 14 19.346 3.301 -6.929 1.00 0.00 C ATOM 194 O GLN A 14 18.329 3.596 -6.297 1.00 0.00 O ATOM 195 CB GLN A 14 20.718 5.459 -7.255 1.00 0.00 C ATOM 196 CG GLN A 14 22.015 5.068 -6.504 1.00 0.00 C ATOM 197 CD GLN A 14 23.106 4.393 -7.358 1.00 0.00 C ATOM 198 OE1 GLN A 14 23.396 3.207 -7.206 1.00 0.00 O ATOM 199 NE2 GLN A 14 23.724 5.129 -8.269 1.00 0.00 N ATOM 0 H GLN A 14 17.995 5.053 -8.263 1.00 0.00 H new ATOM 0 HA GLN A 14 20.662 3.762 -8.573 1.00 0.00 H new ATOM 0 HB2 GLN A 14 20.971 6.203 -8.010 1.00 0.00 H new ATOM 0 HB3 GLN A 14 20.045 5.940 -6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 14 22.437 5.967 -6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 14 21.751 4.396 -5.688 1.00 0.00 H new ATOM 0 HE21 GLN A 14 23.475 6.111 -8.386 1.00 0.00 H new ATOM 0 HE22 GLN A 14 24.449 4.714 -8.854 1.00 0.00 H new ATOM 208 N LYS A 15 19.985 2.122 -6.789 1.00 0.00 N ATOM 209 CA LYS A 15 19.484 0.992 -5.957 1.00 0.00 C ATOM 210 C LYS A 15 20.483 0.685 -4.797 1.00 0.00 C ATOM 211 O LYS A 15 21.695 0.592 -5.023 1.00 0.00 O ATOM 212 CB LYS A 15 19.311 -0.251 -6.888 1.00 0.00 C ATOM 213 CG LYS A 15 18.009 -0.404 -7.718 1.00 0.00 C ATOM 214 CD LYS A 15 17.369 0.862 -8.332 1.00 0.00 C ATOM 215 CE LYS A 15 16.044 0.601 -9.072 1.00 0.00 C ATOM 216 NZ LYS A 15 15.143 1.765 -9.057 1.00 0.00 N ATOM 0 H LYS A 15 20.871 1.918 -7.251 1.00 0.00 H new ATOM 0 HA LYS A 15 18.528 1.250 -5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.147 -0.255 -7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.410 -1.141 -6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 15 18.215 -1.099 -8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.263 -0.875 -7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.193 1.588 -7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.077 1.314 -9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.258 0.326 -10.105 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.539 -0.250 -8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.190 1.470 -9.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.102 2.160 -8.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.500 2.489 -9.713 1.00 0.00 H new ATOM 230 N ARG A 16 19.963 0.509 -3.560 1.00 0.00 N ATOM 231 CA ARG A 16 20.795 0.295 -2.342 1.00 0.00 C ATOM 232 C ARG A 16 20.039 -0.625 -1.336 1.00 0.00 C ATOM 233 O ARG A 16 18.963 -0.266 -0.847 1.00 0.00 O ATOM 234 CB ARG A 16 21.118 1.679 -1.718 1.00 0.00 C ATOM 235 CG ARG A 16 22.127 1.662 -0.547 1.00 0.00 C ATOM 236 CD ARG A 16 22.387 3.045 0.091 1.00 0.00 C ATOM 237 NE ARG A 16 23.041 4.026 -0.819 1.00 0.00 N ATOM 238 CZ ARG A 16 22.399 4.995 -1.507 1.00 0.00 C ATOM 239 NH1 ARG A 16 21.085 5.217 -1.441 1.00 0.00 N ATOM 240 NH2 ARG A 16 23.116 5.770 -2.300 1.00 0.00 N ATOM 0 H ARG A 16 18.960 0.510 -3.373 1.00 0.00 H new ATOM 0 HA ARG A 16 21.730 -0.203 -2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 16 21.508 2.329 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.188 2.126 -1.367 1.00 0.00 H new ATOM 0 HG2 ARG A 16 21.760 0.983 0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 16 23.073 1.257 -0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 16 21.438 3.459 0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 16 23.012 2.913 0.974 1.00 0.00 H new ATOM 0 HE ARG A 16 24.053 3.961 -0.931 1.00 0.00 H new ATOM 0 HH11 ARG A 16 20.499 4.635 -0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 16 20.667 5.968 -1.990 1.00 0.00 H new ATOM 0 HH21 ARG A 16 24.123 5.627 -2.379 1.00 0.00 H new ATOM 0 HH22 ARG A 16 22.663 6.512 -2.834 1.00 0.00 H new ATOM 254 N VAL A 17 20.636 -1.786 -0.993 1.00 0.00 N ATOM 255 CA VAL A 17 20.025 -2.784 -0.060 1.00 0.00 C ATOM 256 C VAL A 17 20.505 -2.582 1.407 1.00 0.00 C ATOM 257 O VAL A 17 21.692 -2.359 1.671 1.00 0.00 O ATOM 258 CB VAL A 17 20.207 -4.243 -0.611 1.00 0.00 C ATOM 259 CG1 VAL A 17 21.655 -4.779 -0.593 1.00 0.00 C ATOM 260 CG2 VAL A 17 19.304 -5.281 0.090 1.00 0.00 C ATOM 0 H VAL A 17 21.550 -2.066 -1.347 1.00 0.00 H new ATOM 0 HA VAL A 17 18.949 -2.613 -0.019 1.00 0.00 H new ATOM 0 HB VAL A 17 19.905 -4.128 -1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.673 -5.793 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 17 22.288 -4.136 -1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 17 22.027 -4.787 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.481 -6.267 -0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.534 -5.303 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.258 -5.007 -0.050 1.00 0.00 H new ATOM 270 N ILE A 18 19.558 -2.729 2.353 1.00 0.00 N ATOM 271 CA ILE A 18 19.844 -2.761 3.810 1.00 0.00 C ATOM 272 C ILE A 18 20.172 -4.240 4.216 1.00 0.00 C ATOM 273 O ILE A 18 21.315 -4.520 4.587 1.00 0.00 O ATOM 274 CB ILE A 18 18.693 -2.099 4.648 1.00 0.00 C ATOM 275 CG1 ILE A 18 18.156 -0.721 4.138 1.00 0.00 C ATOM 276 CG2 ILE A 18 19.115 -1.936 6.133 1.00 0.00 C ATOM 277 CD1 ILE A 18 16.628 -0.672 4.072 1.00 0.00 C ATOM 0 H ILE A 18 18.567 -2.830 2.133 1.00 0.00 H new ATOM 0 HA ILE A 18 20.718 -2.151 4.040 1.00 0.00 H new ATOM 0 HB ILE A 18 17.869 -2.802 4.527 1.00 0.00 H new ATOM 0 HG12 ILE A 18 18.513 0.070 4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 18 18.565 -0.520 3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.302 -1.475 6.694 1.00 0.00 H new ATOM 0 HG22 ILE A 18 19.339 -2.915 6.557 1.00 0.00 H new ATOM 0 HG23 ILE A 18 20.001 -1.303 6.192 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.311 0.307 3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 18 16.268 -1.443 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.215 -0.844 5.066 1.00 0.00 H new ATOM 289 N GLN A 19 19.181 -5.157 4.140 1.00 0.00 N ATOM 290 CA GLN A 19 19.350 -6.590 4.488 1.00 0.00 C ATOM 291 C GLN A 19 19.056 -7.429 3.219 1.00 0.00 C ATOM 292 O GLN A 19 17.903 -7.541 2.790 1.00 0.00 O ATOM 293 CB GLN A 19 18.396 -7.008 5.640 1.00 0.00 C ATOM 294 CG GLN A 19 18.668 -6.377 7.032 1.00 0.00 C ATOM 295 CD GLN A 19 17.534 -5.487 7.559 1.00 0.00 C ATOM 296 OE1 GLN A 19 16.976 -5.709 8.635 1.00 0.00 O ATOM 297 NE2 GLN A 19 17.176 -4.468 6.800 1.00 0.00 N ATOM 0 H GLN A 19 18.236 -4.925 3.834 1.00 0.00 H new ATOM 0 HA GLN A 19 20.369 -6.762 4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.377 -6.758 5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 19 18.441 -8.092 5.743 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.849 -7.177 7.750 1.00 0.00 H new ATOM 0 HG3 GLN A 19 19.582 -5.785 6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 19 17.651 -4.302 5.913 1.00 0.00 H new ATOM 0 HE22 GLN A 19 16.425 -3.847 7.101 1.00 0.00 H new ATOM 306 N GLU A 20 20.102 -8.065 2.659 1.00 0.00 N ATOM 307 CA GLU A 20 19.962 -9.092 1.589 1.00 0.00 C ATOM 308 C GLU A 20 19.184 -10.343 2.105 1.00 0.00 C ATOM 309 O GLU A 20 19.593 -10.976 3.084 1.00 0.00 O ATOM 310 CB GLU A 20 21.365 -9.500 1.068 1.00 0.00 C ATOM 311 CG GLU A 20 22.090 -8.417 0.243 1.00 0.00 C ATOM 312 CD GLU A 20 23.485 -8.850 -0.212 1.00 0.00 C ATOM 313 OE1 GLU A 20 23.604 -9.470 -1.292 1.00 0.00 O ATOM 314 OE2 GLU A 20 24.470 -8.572 0.508 1.00 0.00 O ATOM 0 H GLU A 20 21.069 -7.888 2.929 1.00 0.00 H new ATOM 0 HA GLU A 20 19.387 -8.661 0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.990 -9.766 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 20 21.263 -10.396 0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 20 21.488 -8.170 -0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 20 22.173 -7.508 0.839 1.00 0.00 H new ATOM 321 N GLY A 21 18.040 -10.644 1.463 1.00 0.00 N ATOM 322 CA GLY A 21 17.030 -11.569 2.024 1.00 0.00 C ATOM 323 C GLY A 21 17.328 -13.078 1.916 1.00 0.00 C ATOM 324 O GLY A 21 18.378 -13.540 2.372 1.00 0.00 O ATOM 0 H GLY A 21 17.789 -10.260 0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.895 -11.325 3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.079 -11.375 1.527 1.00 0.00 H new ATOM 328 N ARG A 22 16.361 -13.835 1.367 1.00 0.00 N ATOM 329 CA ARG A 22 16.418 -15.324 1.327 1.00 0.00 C ATOM 330 C ARG A 22 16.102 -15.873 -0.088 1.00 0.00 C ATOM 331 O ARG A 22 15.346 -15.296 -0.879 1.00 0.00 O ATOM 332 CB ARG A 22 15.439 -15.951 2.363 1.00 0.00 C ATOM 333 CG ARG A 22 15.912 -15.923 3.828 1.00 0.00 C ATOM 334 CD ARG A 22 17.059 -16.900 4.156 1.00 0.00 C ATOM 335 NE ARG A 22 17.417 -16.818 5.592 1.00 0.00 N ATOM 336 CZ ARG A 22 18.349 -17.585 6.190 1.00 0.00 C ATOM 337 NH1 ARG A 22 19.072 -18.508 5.558 1.00 0.00 N ATOM 338 NH2 ARG A 22 18.557 -17.410 7.482 1.00 0.00 N ATOM 0 H ARG A 22 15.521 -13.445 0.940 1.00 0.00 H new ATOM 0 HA ARG A 22 17.438 -15.608 1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 22 14.485 -15.427 2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 22 15.253 -16.987 2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 22 16.235 -14.911 4.072 1.00 0.00 H new ATOM 0 HG3 ARG A 22 15.064 -16.151 4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 22 16.759 -17.918 3.908 1.00 0.00 H new ATOM 0 HD3 ARG A 22 17.930 -16.666 3.544 1.00 0.00 H new ATOM 0 HE ARG A 22 16.924 -16.134 6.166 1.00 0.00 H new ATOM 0 HH11 ARG A 22 18.935 -18.668 4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 22 19.763 -19.055 6.072 1.00 0.00 H new ATOM 0 HH21 ARG A 22 18.019 -16.711 7.995 1.00 0.00 H new ATOM 0 HH22 ARG A 22 19.255 -17.974 7.967 1.00 0.00 H new ATOM 393 N PRO A 26 13.185 -14.600 -8.234 1.00 0.00 N ATOM 394 CA PRO A 26 12.255 -15.210 -9.229 1.00 0.00 C ATOM 395 C PRO A 26 12.135 -14.408 -10.569 1.00 0.00 C ATOM 396 O PRO A 26 13.042 -13.658 -10.946 1.00 0.00 O ATOM 397 CB PRO A 26 10.973 -15.354 -8.373 1.00 0.00 C ATOM 398 CG PRO A 26 11.003 -14.176 -7.404 1.00 0.00 C ATOM 399 CD PRO A 26 12.483 -14.022 -7.067 1.00 0.00 C ATOM 0 HA PRO A 26 12.579 -16.163 -9.648 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.079 -15.328 -8.996 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.962 -16.304 -7.838 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.600 -13.272 -7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.408 -14.375 -6.513 1.00 0.00 H new ATOM 0 HD2 PRO A 26 12.751 -12.976 -6.920 1.00 0.00 H new ATOM 0 HD3 PRO A 26 12.739 -14.549 -6.148 1.00 0.00 H new ATOM 407 N ASP A 27 11.036 -14.618 -11.317 1.00 0.00 N ATOM 408 CA ASP A 27 10.852 -14.062 -12.689 1.00 0.00 C ATOM 409 C ASP A 27 10.772 -12.508 -12.750 1.00 0.00 C ATOM 410 O ASP A 27 11.595 -11.897 -13.436 1.00 0.00 O ATOM 411 CB ASP A 27 9.628 -14.721 -13.393 1.00 0.00 C ATOM 412 CG ASP A 27 9.770 -16.219 -13.704 1.00 0.00 C ATOM 413 OD1 ASP A 27 10.313 -16.564 -14.776 1.00 0.00 O ATOM 414 OD2 ASP A 27 9.343 -17.052 -12.875 1.00 0.00 O ATOM 0 H ASP A 27 10.245 -15.177 -10.996 1.00 0.00 H new ATOM 0 HA ASP A 27 11.760 -14.319 -13.235 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.750 -14.580 -12.763 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.439 -14.191 -14.326 1.00 0.00 H new ATOM 419 N PHE A 28 9.784 -11.880 -12.072 1.00 0.00 N ATOM 420 CA PHE A 28 9.450 -10.429 -12.233 1.00 0.00 C ATOM 421 C PHE A 28 9.097 -9.993 -13.694 1.00 0.00 C ATOM 422 O PHE A 28 9.637 -9.018 -14.229 1.00 0.00 O ATOM 423 CB PHE A 28 10.486 -9.507 -11.526 1.00 0.00 C ATOM 424 CG PHE A 28 10.440 -9.522 -9.991 1.00 0.00 C ATOM 425 CD1 PHE A 28 9.536 -8.693 -9.317 1.00 0.00 C ATOM 426 CD2 PHE A 28 11.319 -10.323 -9.254 1.00 0.00 C ATOM 427 CE1 PHE A 28 9.510 -8.666 -7.927 1.00 0.00 C ATOM 428 CE2 PHE A 28 11.293 -10.289 -7.863 1.00 0.00 C ATOM 429 CZ PHE A 28 10.390 -9.461 -7.200 1.00 0.00 C ATOM 0 H PHE A 28 9.190 -12.358 -11.395 1.00 0.00 H new ATOM 0 HA PHE A 28 8.507 -10.290 -11.704 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.486 -9.800 -11.846 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.329 -8.484 -11.868 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.855 -8.071 -9.879 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.018 -10.968 -9.765 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.807 -8.028 -7.412 1.00 0.00 H new ATOM 0 HE2 PHE A 28 11.975 -10.906 -7.296 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.373 -9.436 -6.120 1.00 0.00 H new ATOM 439 N GLN A 29 8.156 -10.730 -14.311 1.00 0.00 N ATOM 440 CA GLN A 29 7.689 -10.506 -15.699 1.00 0.00 C ATOM 441 C GLN A 29 6.140 -10.311 -15.723 1.00 0.00 C ATOM 442 O GLN A 29 5.481 -10.290 -14.678 1.00 0.00 O ATOM 443 CB GLN A 29 8.163 -11.724 -16.549 1.00 0.00 C ATOM 444 CG GLN A 29 9.695 -11.890 -16.685 1.00 0.00 C ATOM 445 CD GLN A 29 10.102 -13.173 -17.416 1.00 0.00 C ATOM 446 OE1 GLN A 29 10.482 -14.169 -16.801 1.00 0.00 O ATOM 447 NE2 GLN A 29 10.022 -13.190 -18.734 1.00 0.00 N ATOM 0 H GLN A 29 7.688 -11.513 -13.854 1.00 0.00 H new ATOM 0 HA GLN A 29 8.110 -9.595 -16.124 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.755 -12.633 -16.107 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.735 -11.635 -17.548 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.101 -11.031 -17.220 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.143 -11.888 -15.692 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.706 -12.360 -19.236 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.276 -14.033 -19.250 1.00 0.00 H new ATOM 456 N ASP A 30 5.560 -10.134 -16.930 1.00 0.00 N ATOM 457 CA ASP A 30 4.128 -9.761 -17.121 1.00 0.00 C ATOM 458 C ASP A 30 3.103 -10.751 -16.472 1.00 0.00 C ATOM 459 O ASP A 30 2.854 -11.850 -16.978 1.00 0.00 O ATOM 460 CB ASP A 30 3.831 -9.456 -18.617 1.00 0.00 C ATOM 461 CG ASP A 30 3.979 -10.606 -19.631 1.00 0.00 C ATOM 462 OD1 ASP A 30 5.114 -10.878 -20.078 1.00 0.00 O ATOM 463 OD2 ASP A 30 2.958 -11.239 -19.980 1.00 0.00 O ATOM 0 H ASP A 30 6.068 -10.245 -17.807 1.00 0.00 H new ATOM 0 HA ASP A 30 3.975 -8.840 -16.558 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.810 -9.080 -18.685 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.491 -8.647 -18.931 1.00 0.00 H new ATOM 468 N GLY A 31 2.561 -10.327 -15.319 1.00 0.00 N ATOM 469 CA GLY A 31 1.664 -11.148 -14.477 1.00 0.00 C ATOM 470 C GLY A 31 2.304 -11.752 -13.206 1.00 0.00 C ATOM 471 O GLY A 31 1.917 -12.864 -12.840 1.00 0.00 O ATOM 0 H GLY A 31 2.732 -9.396 -14.938 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.815 -10.534 -14.177 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.270 -11.962 -15.085 1.00 0.00 H new ATOM 475 N THR A 32 3.230 -11.048 -12.513 1.00 0.00 N ATOM 476 CA THR A 32 3.836 -11.528 -11.249 1.00 0.00 C ATOM 477 C THR A 32 3.179 -10.693 -10.115 1.00 0.00 C ATOM 478 O THR A 32 3.173 -9.459 -10.135 1.00 0.00 O ATOM 479 CB THR A 32 5.386 -11.387 -11.341 1.00 0.00 C ATOM 480 OG1 THR A 32 5.924 -12.331 -12.258 1.00 0.00 O ATOM 481 CG2 THR A 32 6.132 -11.564 -10.014 1.00 0.00 C ATOM 0 H THR A 32 3.576 -10.136 -12.812 1.00 0.00 H new ATOM 0 HA THR A 32 3.656 -12.584 -11.047 1.00 0.00 H new ATOM 0 HB THR A 32 5.538 -10.360 -11.672 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.870 -11.971 -13.168 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.203 -11.448 -10.180 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.792 -10.812 -9.302 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.932 -12.558 -9.614 1.00 0.00 H new ATOM 489 N LYS A 33 2.668 -11.394 -9.097 1.00 0.00 N ATOM 490 CA LYS A 33 2.146 -10.764 -7.863 1.00 0.00 C ATOM 491 C LYS A 33 3.301 -10.595 -6.843 1.00 0.00 C ATOM 492 O LYS A 33 3.589 -11.501 -6.058 1.00 0.00 O ATOM 493 CB LYS A 33 1.004 -11.687 -7.354 1.00 0.00 C ATOM 494 CG LYS A 33 0.354 -11.362 -5.983 1.00 0.00 C ATOM 495 CD LYS A 33 -1.035 -10.703 -6.026 1.00 0.00 C ATOM 496 CE LYS A 33 -1.059 -9.257 -6.549 1.00 0.00 C ATOM 497 NZ LYS A 33 -2.413 -8.696 -6.394 1.00 0.00 N ATOM 0 H LYS A 33 2.601 -12.412 -9.098 1.00 0.00 H new ATOM 0 HA LYS A 33 1.747 -9.763 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.214 -11.685 -8.106 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.395 -12.703 -7.305 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.276 -12.288 -5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.027 -10.705 -5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.688 -11.310 -6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.457 -10.716 -5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.338 -8.650 -6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.763 -9.234 -7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.347 -7.674 -6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.959 -8.861 -7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.890 -9.157 -5.593 1.00 0.00 H new ATOM 511 N ALA A 34 3.915 -9.402 -6.839 1.00 0.00 N ATOM 512 CA ALA A 34 4.923 -9.023 -5.822 1.00 0.00 C ATOM 513 C ALA A 34 4.228 -8.319 -4.629 1.00 0.00 C ATOM 514 O ALA A 34 3.666 -7.228 -4.764 1.00 0.00 O ATOM 515 CB ALA A 34 5.993 -8.150 -6.496 1.00 0.00 C ATOM 0 H ALA A 34 3.733 -8.675 -7.531 1.00 0.00 H new ATOM 0 HA ALA A 34 5.420 -9.903 -5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.744 -7.862 -5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.469 -8.713 -7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.526 -7.255 -6.908 1.00 0.00 H new ATOM 521 N THR A 35 4.270 -8.990 -3.466 1.00 0.00 N ATOM 522 CA THR A 35 3.624 -8.520 -2.209 1.00 0.00 C ATOM 523 C THR A 35 4.741 -7.984 -1.271 1.00 0.00 C ATOM 524 O THR A 35 5.707 -8.685 -0.949 1.00 0.00 O ATOM 525 CB THR A 35 2.827 -9.693 -1.569 1.00 0.00 C ATOM 526 OG1 THR A 35 1.842 -10.176 -2.480 1.00 0.00 O ATOM 527 CG2 THR A 35 2.100 -9.310 -0.269 1.00 0.00 C ATOM 0 H THR A 35 4.754 -9.881 -3.361 1.00 0.00 H new ATOM 0 HA THR A 35 2.913 -7.716 -2.399 1.00 0.00 H new ATOM 0 HB THR A 35 3.572 -10.453 -1.335 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.348 -10.915 -2.067 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.566 -10.178 0.119 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.828 -8.972 0.469 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.390 -8.508 -0.472 1.00 0.00 H new ATOM 535 N PHE A 36 4.594 -6.721 -0.846 1.00 0.00 N ATOM 536 CA PHE A 36 5.665 -5.986 -0.119 1.00 0.00 C ATOM 537 C PHE A 36 5.084 -4.769 0.657 1.00 0.00 C ATOM 538 O PHE A 36 3.955 -4.332 0.433 1.00 0.00 O ATOM 539 CB PHE A 36 6.846 -5.602 -1.070 1.00 0.00 C ATOM 540 CG PHE A 36 6.546 -4.822 -2.358 1.00 0.00 C ATOM 541 CD1 PHE A 36 6.278 -5.507 -3.545 1.00 0.00 C ATOM 542 CD2 PHE A 36 6.581 -3.428 -2.367 1.00 0.00 C ATOM 543 CE1 PHE A 36 6.055 -4.804 -4.722 1.00 0.00 C ATOM 544 CE2 PHE A 36 6.374 -2.723 -3.547 1.00 0.00 C ATOM 545 CZ PHE A 36 6.110 -3.412 -4.723 1.00 0.00 C ATOM 0 H PHE A 36 3.744 -6.176 -0.989 1.00 0.00 H new ATOM 0 HA PHE A 36 6.088 -6.655 0.630 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.558 -5.015 -0.489 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.351 -6.525 -1.355 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.244 -6.586 -3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.771 -2.891 -1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.839 -5.337 -5.636 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.418 -1.644 -3.549 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.947 -2.867 -5.641 1.00 0.00 H new ATOM 555 N HIS A 37 5.891 -4.201 1.564 1.00 0.00 N ATOM 556 CA HIS A 37 5.623 -2.872 2.182 1.00 0.00 C ATOM 557 C HIS A 37 6.320 -1.715 1.410 1.00 0.00 C ATOM 558 O HIS A 37 7.226 -1.935 0.610 1.00 0.00 O ATOM 559 CB HIS A 37 6.118 -2.915 3.649 1.00 0.00 C ATOM 560 CG HIS A 37 5.192 -3.652 4.611 1.00 0.00 C ATOM 561 ND1 HIS A 37 4.009 -3.112 5.049 1.00 0.00 N ATOM 562 CD2 HIS A 37 5.445 -4.855 5.290 1.00 0.00 C ATOM 563 CE1 HIS A 37 3.663 -4.037 5.981 1.00 0.00 C ATOM 564 NE2 HIS A 37 4.444 -5.139 6.205 1.00 0.00 N ATOM 0 H HIS A 37 6.749 -4.640 1.897 1.00 0.00 H new ATOM 0 HA HIS A 37 4.552 -2.673 2.141 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.099 -3.390 3.674 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.250 -1.893 4.004 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.310 -5.479 5.121 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.758 -3.901 6.554 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.326 -5.924 6.845 1.00 0.00 H new ATOM 572 N TYR A 38 5.876 -0.473 1.669 1.00 0.00 N ATOM 573 CA TYR A 38 6.378 0.750 0.983 1.00 0.00 C ATOM 574 C TYR A 38 6.365 1.947 1.980 1.00 0.00 C ATOM 575 O TYR A 38 5.433 2.099 2.778 1.00 0.00 O ATOM 576 CB TYR A 38 5.536 1.001 -0.316 1.00 0.00 C ATOM 577 CG TYR A 38 4.240 1.847 -0.239 1.00 0.00 C ATOM 578 CD1 TYR A 38 3.050 1.308 0.253 1.00 0.00 C ATOM 579 CD2 TYR A 38 4.245 3.168 -0.702 1.00 0.00 C ATOM 580 CE1 TYR A 38 1.870 2.048 0.225 1.00 0.00 C ATOM 581 CE2 TYR A 38 3.071 3.917 -0.716 1.00 0.00 C ATOM 582 CZ TYR A 38 1.882 3.350 -0.269 1.00 0.00 C ATOM 583 OH TYR A 38 0.711 4.060 -0.336 1.00 0.00 O ATOM 0 H TYR A 38 5.154 -0.279 2.363 1.00 0.00 H new ATOM 0 HA TYR A 38 7.413 0.624 0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.193 1.478 -1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.265 0.026 -0.722 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.044 0.307 0.659 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.167 3.610 -1.051 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.949 1.613 0.585 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.084 4.936 -1.073 1.00 0.00 H new ATOM 0 HH TYR A 38 0.889 4.951 -0.702 1.00 0.00 H new ATOM 593 N ARG A 39 7.374 2.828 1.889 1.00 0.00 N ATOM 594 CA ARG A 39 7.450 4.048 2.731 1.00 0.00 C ATOM 595 C ARG A 39 8.120 5.160 1.894 1.00 0.00 C ATOM 596 O ARG A 39 9.348 5.229 1.769 1.00 0.00 O ATOM 597 CB ARG A 39 8.205 3.759 4.051 1.00 0.00 C ATOM 598 CG ARG A 39 7.842 4.673 5.247 1.00 0.00 C ATOM 599 CD ARG A 39 8.956 5.625 5.713 1.00 0.00 C ATOM 600 NE ARG A 39 10.145 4.906 6.240 1.00 0.00 N ATOM 601 CZ ARG A 39 11.156 5.490 6.911 1.00 0.00 C ATOM 602 NH1 ARG A 39 11.185 6.779 7.240 1.00 0.00 N ATOM 603 NH2 ARG A 39 12.179 4.735 7.267 1.00 0.00 N ATOM 0 H ARG A 39 8.154 2.724 1.240 1.00 0.00 H new ATOM 0 HA ARG A 39 6.454 4.379 3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.015 2.725 4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.275 3.846 3.863 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.969 5.267 4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.550 4.044 6.088 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.260 6.257 4.879 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.564 6.285 6.487 1.00 0.00 H new ATOM 0 HE ARG A 39 10.199 3.900 6.082 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.409 7.389 6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.983 7.157 7.750 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.186 3.742 7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.962 5.144 7.776 1.00 0.00 H new ATOM 617 N THR A 40 7.281 6.032 1.321 1.00 0.00 N ATOM 618 CA THR A 40 7.737 7.155 0.471 1.00 0.00 C ATOM 619 C THR A 40 7.971 8.394 1.363 1.00 0.00 C ATOM 620 O THR A 40 7.049 8.888 2.018 1.00 0.00 O ATOM 621 CB THR A 40 6.754 7.447 -0.691 1.00 0.00 C ATOM 622 OG1 THR A 40 5.431 7.696 -0.233 1.00 0.00 O ATOM 623 CG2 THR A 40 6.714 6.309 -1.708 1.00 0.00 C ATOM 0 H THR A 40 6.268 5.985 1.429 1.00 0.00 H new ATOM 0 HA THR A 40 8.677 6.879 -0.007 1.00 0.00 H new ATOM 0 HB THR A 40 7.136 8.347 -1.172 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.802 7.591 -0.977 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.012 6.557 -2.504 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.708 6.165 -2.132 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.394 5.391 -1.215 1.00 0.00 H new ATOM 631 N LEU A 41 9.222 8.872 1.380 1.00 0.00 N ATOM 632 CA LEU A 41 9.616 10.087 2.119 1.00 0.00 C ATOM 633 C LEU A 41 10.518 10.985 1.229 1.00 0.00 C ATOM 634 O LEU A 41 11.222 10.516 0.329 1.00 0.00 O ATOM 635 CB LEU A 41 10.212 9.698 3.504 1.00 0.00 C ATOM 636 CG LEU A 41 11.671 9.149 3.581 1.00 0.00 C ATOM 637 CD1 LEU A 41 12.354 9.583 4.891 1.00 0.00 C ATOM 638 CD2 LEU A 41 11.744 7.619 3.420 1.00 0.00 C ATOM 0 H LEU A 41 9.994 8.429 0.882 1.00 0.00 H new ATOM 0 HA LEU A 41 8.747 10.704 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.160 10.580 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.556 8.947 3.944 1.00 0.00 H new ATOM 0 HG LEU A 41 12.208 9.584 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.369 9.188 4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.387 10.671 4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.790 9.198 5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.783 7.296 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.167 7.142 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.333 7.335 2.451 1.00 0.00 H new ATOM 650 N HIS A 42 10.514 12.293 1.516 1.00 0.00 N ATOM 651 CA HIS A 42 11.306 13.297 0.759 1.00 0.00 C ATOM 652 C HIS A 42 12.826 13.163 1.062 1.00 0.00 C ATOM 653 O HIS A 42 13.234 12.969 2.212 1.00 0.00 O ATOM 654 CB HIS A 42 10.764 14.714 1.083 1.00 0.00 C ATOM 655 CG HIS A 42 9.423 15.034 0.416 1.00 0.00 C ATOM 656 ND1 HIS A 42 8.174 14.668 0.881 1.00 0.00 N ATOM 657 CD2 HIS A 42 9.298 15.647 -0.833 1.00 0.00 C ATOM 658 CE1 HIS A 42 7.393 15.124 -0.145 1.00 0.00 C ATOM 659 NE2 HIS A 42 7.969 15.727 -1.233 1.00 0.00 N ATOM 0 H HIS A 42 9.966 12.694 2.277 1.00 0.00 H new ATOM 0 HA HIS A 42 11.195 13.119 -0.311 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.654 14.812 2.163 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.500 15.454 0.769 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.910 14.193 1.744 1.00 0.00 H new ATOM 0 HD2 HIS A 42 10.130 16.013 -1.416 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.320 15.009 -0.098 1.00 0.00 H new ATOM 667 N SER A 43 13.643 13.227 -0.007 1.00 0.00 N ATOM 668 CA SER A 43 15.087 12.870 0.050 1.00 0.00 C ATOM 669 C SER A 43 15.942 13.868 0.886 1.00 0.00 C ATOM 670 O SER A 43 16.464 13.481 1.936 1.00 0.00 O ATOM 671 CB SER A 43 15.606 12.632 -1.389 1.00 0.00 C ATOM 672 OG SER A 43 16.924 12.096 -1.373 1.00 0.00 O ATOM 0 H SER A 43 13.331 13.525 -0.931 1.00 0.00 H new ATOM 0 HA SER A 43 15.197 11.937 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.938 11.948 -1.912 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.598 13.571 -1.942 1.00 0.00 H new ATOM 0 HG SER A 43 17.230 11.952 -2.293 1.00 0.00 H new ATOM 678 N ASP A 44 16.056 15.132 0.439 1.00 0.00 N ATOM 679 CA ASP A 44 16.715 16.228 1.211 1.00 0.00 C ATOM 680 C ASP A 44 15.965 17.605 1.165 1.00 0.00 C ATOM 681 O ASP A 44 16.353 18.508 1.914 1.00 0.00 O ATOM 682 CB ASP A 44 18.196 16.328 0.733 1.00 0.00 C ATOM 683 CG ASP A 44 19.138 17.115 1.656 1.00 0.00 C ATOM 684 OD1 ASP A 44 19.573 16.561 2.690 1.00 0.00 O ATOM 685 OD2 ASP A 44 19.445 18.287 1.351 1.00 0.00 O ATOM 0 H ASP A 44 15.697 15.433 -0.467 1.00 0.00 H new ATOM 0 HA ASP A 44 16.677 15.970 2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.590 15.319 0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 44 18.210 16.792 -0.253 1.00 0.00 H new ATOM 690 N ASP A 45 14.908 17.789 0.341 1.00 0.00 N ATOM 691 CA ASP A 45 14.170 19.075 0.215 1.00 0.00 C ATOM 692 C ASP A 45 13.320 19.430 1.474 1.00 0.00 C ATOM 693 O ASP A 45 13.540 20.486 2.071 1.00 0.00 O ATOM 694 CB ASP A 45 13.323 19.007 -1.084 1.00 0.00 C ATOM 695 CG ASP A 45 12.785 20.363 -1.570 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.746 20.824 -1.047 1.00 0.00 O ATOM 697 OD2 ASP A 45 13.395 20.965 -2.480 1.00 0.00 O ATOM 0 H ASP A 45 14.539 17.051 -0.258 1.00 0.00 H new ATOM 0 HA ASP A 45 14.886 19.894 0.149 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.930 18.567 -1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.481 18.335 -0.918 1.00 0.00 H new ATOM 702 N GLU A 46 12.364 18.558 1.852 1.00 0.00 N ATOM 703 CA GLU A 46 11.573 18.696 3.101 1.00 0.00 C ATOM 704 C GLU A 46 12.108 17.745 4.217 1.00 0.00 C ATOM 705 O GLU A 46 12.058 18.111 5.395 1.00 0.00 O ATOM 706 CB GLU A 46 10.077 18.402 2.793 1.00 0.00 C ATOM 707 CG GLU A 46 9.366 19.419 1.869 1.00 0.00 C ATOM 708 CD GLU A 46 7.924 19.020 1.542 1.00 0.00 C ATOM 709 OE1 GLU A 46 7.026 19.246 2.383 1.00 0.00 O ATOM 710 OE2 GLU A 46 7.679 18.483 0.439 1.00 0.00 O ATOM 0 H GLU A 46 12.115 17.736 1.302 1.00 0.00 H new ATOM 0 HA GLU A 46 11.672 19.716 3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.007 17.415 2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.534 18.356 3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.367 20.399 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.930 19.516 0.941 1.00 0.00 H new ATOM 717 N GLY A 47 12.555 16.518 3.861 1.00 0.00 N ATOM 718 CA GLY A 47 12.761 15.417 4.825 1.00 0.00 C ATOM 719 C GLY A 47 11.504 14.732 5.430 1.00 0.00 C ATOM 720 O GLY A 47 11.648 13.973 6.392 1.00 0.00 O ATOM 0 H GLY A 47 12.782 16.266 2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.355 14.648 4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.360 15.803 5.650 1.00 0.00 H new ATOM 724 N THR A 48 10.301 14.998 4.885 1.00 0.00 N ATOM 725 CA THR A 48 9.010 14.539 5.463 1.00 0.00 C ATOM 726 C THR A 48 8.550 13.202 4.832 1.00 0.00 C ATOM 727 O THR A 48 8.675 12.993 3.623 1.00 0.00 O ATOM 728 CB THR A 48 7.948 15.671 5.320 1.00 0.00 C ATOM 729 OG1 THR A 48 6.827 15.382 6.148 1.00 0.00 O ATOM 730 CG2 THR A 48 7.427 15.938 3.894 1.00 0.00 C ATOM 0 H THR A 48 10.190 15.539 4.028 1.00 0.00 H new ATOM 0 HA THR A 48 9.142 14.334 6.525 1.00 0.00 H new ATOM 0 HB THR A 48 8.479 16.574 5.621 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.161 16.096 6.058 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.695 16.745 3.919 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.259 16.223 3.250 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.958 15.035 3.503 1.00 0.00 H new ATOM 738 N VAL A 49 7.928 12.343 5.652 1.00 0.00 N ATOM 739 CA VAL A 49 7.275 11.098 5.168 1.00 0.00 C ATOM 740 C VAL A 49 5.843 11.451 4.683 1.00 0.00 C ATOM 741 O VAL A 49 4.957 11.802 5.469 1.00 0.00 O ATOM 742 CB VAL A 49 7.410 9.914 6.173 1.00 0.00 C ATOM 743 CG1 VAL A 49 6.916 10.218 7.605 1.00 0.00 C ATOM 744 CG2 VAL A 49 6.756 8.613 5.662 1.00 0.00 C ATOM 0 H VAL A 49 7.858 12.481 6.660 1.00 0.00 H new ATOM 0 HA VAL A 49 7.798 10.696 4.300 1.00 0.00 H new ATOM 0 HB VAL A 49 8.488 9.767 6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.050 9.336 8.231 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.489 11.047 8.019 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.860 10.486 7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.883 7.826 6.405 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.693 8.783 5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.230 8.310 4.728 1.00 0.00 H new ATOM 754 N LEU A 50 5.670 11.344 3.358 1.00 0.00 N ATOM 755 CA LEU A 50 4.364 11.532 2.688 1.00 0.00 C ATOM 756 C LEU A 50 3.420 10.290 2.753 1.00 0.00 C ATOM 757 O LEU A 50 2.200 10.470 2.803 1.00 0.00 O ATOM 758 CB LEU A 50 4.609 12.052 1.240 1.00 0.00 C ATOM 759 CG LEU A 50 5.102 11.034 0.167 1.00 0.00 C ATOM 760 CD1 LEU A 50 4.004 10.731 -0.863 1.00 0.00 C ATOM 761 CD2 LEU A 50 6.403 11.458 -0.535 1.00 0.00 C ATOM 0 H LEU A 50 6.430 11.124 2.714 1.00 0.00 H new ATOM 0 HA LEU A 50 3.807 12.285 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.678 12.490 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.340 12.859 1.295 1.00 0.00 H new ATOM 0 HG LEU A 50 5.333 10.121 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.380 10.018 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.137 10.307 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.714 11.653 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.684 10.701 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.250 12.412 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.198 11.561 0.204 1.00 0.00 H new ATOM 773 N ASP A 51 3.979 9.055 2.725 1.00 0.00 N ATOM 774 CA ASP A 51 3.198 7.800 2.788 1.00 0.00 C ATOM 775 C ASP A 51 4.020 6.716 3.549 1.00 0.00 C ATOM 776 O ASP A 51 5.251 6.662 3.461 1.00 0.00 O ATOM 777 CB ASP A 51 2.771 7.329 1.365 1.00 0.00 C ATOM 778 CG ASP A 51 1.359 6.731 1.313 1.00 0.00 C ATOM 779 OD1 ASP A 51 1.101 5.727 2.012 1.00 0.00 O ATOM 780 OD2 ASP A 51 0.502 7.257 0.567 1.00 0.00 O ATOM 0 H ASP A 51 4.985 8.904 2.658 1.00 0.00 H new ATOM 0 HA ASP A 51 2.275 7.976 3.340 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.823 8.176 0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.484 6.586 1.008 1.00 0.00 H new ATOM 785 N ASP A 52 3.320 5.856 4.307 1.00 0.00 N ATOM 786 CA ASP A 52 3.950 4.869 5.225 1.00 0.00 C ATOM 787 C ASP A 52 2.970 3.688 5.453 1.00 0.00 C ATOM 788 O ASP A 52 1.876 3.873 5.997 1.00 0.00 O ATOM 789 CB ASP A 52 4.449 5.524 6.546 1.00 0.00 C ATOM 790 CG ASP A 52 3.476 6.414 7.349 1.00 0.00 C ATOM 791 OD1 ASP A 52 2.581 5.880 8.040 1.00 0.00 O ATOM 792 OD2 ASP A 52 3.605 7.655 7.278 1.00 0.00 O ATOM 0 H ASP A 52 2.301 5.819 4.307 1.00 0.00 H new ATOM 0 HA ASP A 52 4.852 4.472 4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.784 4.723 7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.325 6.126 6.305 1.00 0.00 H new ATOM 797 N SER A 53 3.385 2.480 5.023 1.00 0.00 N ATOM 798 CA SER A 53 2.551 1.245 5.118 1.00 0.00 C ATOM 799 C SER A 53 2.971 0.269 6.245 1.00 0.00 C ATOM 800 O SER A 53 2.129 -0.125 7.054 1.00 0.00 O ATOM 801 CB SER A 53 2.414 0.543 3.760 1.00 0.00 C ATOM 802 OG SER A 53 3.598 -0.118 3.356 1.00 0.00 O ATOM 0 H SER A 53 4.300 2.323 4.601 1.00 0.00 H new ATOM 0 HA SER A 53 1.561 1.593 5.413 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.600 -0.181 3.812 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.139 1.278 3.004 1.00 0.00 H new ATOM 0 HG SER A 53 3.688 -0.959 3.851 1.00 0.00 H new ATOM 808 N ARG A 54 4.265 -0.100 6.307 1.00 0.00 N ATOM 809 CA ARG A 54 4.879 -0.790 7.470 1.00 0.00 C ATOM 810 C ARG A 54 4.853 -0.056 8.840 1.00 0.00 C ATOM 811 O ARG A 54 5.037 -0.705 9.875 1.00 0.00 O ATOM 812 CB ARG A 54 6.343 -1.203 7.128 1.00 0.00 C ATOM 813 CG ARG A 54 7.273 -0.193 6.396 1.00 0.00 C ATOM 814 CD ARG A 54 7.591 1.155 7.065 1.00 0.00 C ATOM 815 NE ARG A 54 8.231 1.023 8.397 1.00 0.00 N ATOM 816 CZ ARG A 54 8.357 2.031 9.281 1.00 0.00 C ATOM 817 NH1 ARG A 54 7.973 3.283 9.043 1.00 0.00 N ATOM 818 NH2 ARG A 54 8.893 1.759 10.456 1.00 0.00 N ATOM 0 H ARG A 54 4.924 0.072 5.547 1.00 0.00 H new ATOM 0 HA ARG A 54 4.228 -1.650 7.625 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.831 -1.478 8.063 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.294 -2.104 6.517 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.221 -0.697 6.207 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.826 0.020 5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.248 1.729 6.411 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.668 1.725 7.170 1.00 0.00 H new ATOM 0 HE ARG A 54 8.600 0.109 8.660 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.554 3.526 8.145 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.098 3.999 9.758 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.197 0.809 10.670 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.004 2.499 11.150 1.00 0.00 H new ATOM 832 N ALA A 55 4.609 1.268 8.846 1.00 0.00 N ATOM 833 CA ALA A 55 4.366 2.042 10.085 1.00 0.00 C ATOM 834 C ALA A 55 3.149 1.579 10.943 1.00 0.00 C ATOM 835 O ALA A 55 3.264 1.492 12.169 1.00 0.00 O ATOM 836 CB ALA A 55 4.238 3.520 9.693 1.00 0.00 C ATOM 0 H ALA A 55 4.574 1.832 7.997 1.00 0.00 H new ATOM 0 HA ALA A 55 5.217 1.867 10.744 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.058 4.119 10.586 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.160 3.851 9.214 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.405 3.642 9.000 1.00 0.00 H new ATOM 842 N ARG A 56 2.026 1.244 10.282 1.00 0.00 N ATOM 843 CA ARG A 56 0.916 0.464 10.895 1.00 0.00 C ATOM 844 C ARG A 56 1.072 -1.096 10.817 1.00 0.00 C ATOM 845 O ARG A 56 0.513 -1.790 11.672 1.00 0.00 O ATOM 846 CB ARG A 56 -0.448 0.944 10.324 1.00 0.00 C ATOM 847 CG ARG A 56 -0.686 0.857 8.794 1.00 0.00 C ATOM 848 CD ARG A 56 -0.383 2.138 7.994 1.00 0.00 C ATOM 849 NE ARG A 56 -0.763 1.962 6.568 1.00 0.00 N ATOM 850 CZ ARG A 56 -1.934 2.338 6.021 1.00 0.00 C ATOM 851 NH1 ARG A 56 -2.896 2.979 6.681 1.00 0.00 N ATOM 852 NH2 ARG A 56 -2.142 2.047 4.750 1.00 0.00 N ATOM 0 H ARG A 56 1.855 1.502 9.310 1.00 0.00 H new ATOM 0 HA ARG A 56 0.958 0.672 11.964 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.233 0.368 10.814 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.583 1.984 10.621 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.073 0.049 8.395 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.727 0.582 8.622 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.930 2.979 8.421 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.678 2.377 8.067 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.080 1.520 5.953 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.769 3.215 7.665 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.760 3.234 6.203 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.427 1.553 4.216 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.018 2.316 4.302 1.00 0.00 H new ATOM 866 N GLY A 57 1.788 -1.638 9.812 1.00 0.00 N ATOM 867 CA GLY A 57 1.877 -3.096 9.549 1.00 0.00 C ATOM 868 C GLY A 57 0.881 -3.683 8.519 1.00 0.00 C ATOM 869 O GLY A 57 0.536 -4.862 8.634 1.00 0.00 O ATOM 0 H GLY A 57 2.326 -1.076 9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.888 -3.318 9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.737 -3.621 10.494 1.00 0.00 H new ATOM 873 N LYS A 58 0.463 -2.892 7.510 1.00 0.00 N ATOM 874 CA LYS A 58 -0.529 -3.309 6.485 1.00 0.00 C ATOM 875 C LYS A 58 0.159 -3.281 5.080 1.00 0.00 C ATOM 876 O LYS A 58 0.354 -2.182 4.552 1.00 0.00 O ATOM 877 CB LYS A 58 -1.786 -2.389 6.535 1.00 0.00 C ATOM 878 CG LYS A 58 -2.526 -2.260 7.891 1.00 0.00 C ATOM 879 CD LYS A 58 -2.921 -3.565 8.604 1.00 0.00 C ATOM 880 CE LYS A 58 -3.973 -4.394 7.851 1.00 0.00 C ATOM 881 NZ LYS A 58 -4.362 -5.594 8.612 1.00 0.00 N ATOM 0 H LYS A 58 0.803 -1.939 7.378 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.872 -4.324 6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.484 -1.390 6.220 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.499 -2.754 5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.894 -1.684 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.432 -1.677 7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.028 -4.173 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.305 -3.324 9.595 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.854 -3.780 7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.577 -4.691 6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.073 -6.130 8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.525 -6.191 8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.763 -5.309 9.528 1.00 0.00 H new ATOM 895 N PRO A 59 0.553 -4.424 4.439 1.00 0.00 N ATOM 896 CA PRO A 59 1.336 -4.416 3.172 1.00 0.00 C ATOM 897 C PRO A 59 0.486 -4.181 1.896 1.00 0.00 C ATOM 898 O PRO A 59 -0.681 -4.575 1.803 1.00 0.00 O ATOM 899 CB PRO A 59 2.009 -5.806 3.184 1.00 0.00 C ATOM 900 CG PRO A 59 1.098 -6.700 4.025 1.00 0.00 C ATOM 901 CD PRO A 59 0.459 -5.767 5.045 1.00 0.00 C ATOM 0 HA PRO A 59 2.040 -3.584 3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.116 -6.198 2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.010 -5.753 3.613 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.343 -7.186 3.407 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.665 -7.491 4.515 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.578 -6.042 5.238 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.982 -5.807 6.000 1.00 0.00 H new ATOM 909 N MET A 60 1.139 -3.553 0.906 1.00 0.00 N ATOM 910 CA MET A 60 0.572 -3.352 -0.453 1.00 0.00 C ATOM 911 C MET A 60 0.812 -4.587 -1.384 1.00 0.00 C ATOM 912 O MET A 60 1.476 -5.566 -1.024 1.00 0.00 O ATOM 913 CB MET A 60 1.109 -2.002 -1.020 1.00 0.00 C ATOM 914 CG MET A 60 2.638 -1.831 -1.085 1.00 0.00 C ATOM 915 SD MET A 60 3.417 -3.142 -2.028 1.00 0.00 S ATOM 916 CE MET A 60 3.030 -2.653 -3.704 1.00 0.00 C ATOM 0 H MET A 60 2.077 -3.167 1.017 1.00 0.00 H new ATOM 0 HA MET A 60 -0.514 -3.279 -0.399 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.711 -1.875 -2.027 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.703 -1.194 -0.412 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.877 -0.868 -1.536 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.045 -1.819 -0.074 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.227 -3.485 -4.380 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.978 -2.374 -3.768 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.649 -1.801 -3.987 1.00 0.00 H new ATOM 926 N GLU A 61 0.240 -4.506 -2.597 1.00 0.00 N ATOM 927 CA GLU A 61 0.326 -5.578 -3.625 1.00 0.00 C ATOM 928 C GLU A 61 0.433 -4.912 -5.022 1.00 0.00 C ATOM 929 O GLU A 61 -0.504 -4.261 -5.498 1.00 0.00 O ATOM 930 CB GLU A 61 -0.900 -6.531 -3.535 1.00 0.00 C ATOM 931 CG GLU A 61 -0.723 -7.686 -2.527 1.00 0.00 C ATOM 932 CD GLU A 61 -2.024 -8.431 -2.227 1.00 0.00 C ATOM 933 OE1 GLU A 61 -2.792 -7.974 -1.352 1.00 0.00 O ATOM 934 OE2 GLU A 61 -2.284 -9.477 -2.861 1.00 0.00 O ATOM 0 H GLU A 61 -0.299 -3.695 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 61 1.211 -6.190 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.779 -5.950 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.095 -6.950 -4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.010 -8.392 -2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.317 -7.288 -1.597 1.00 0.00 H new ATOM 941 N LEU A 62 1.597 -5.113 -5.666 1.00 0.00 N ATOM 942 CA LEU A 62 1.892 -4.607 -7.026 1.00 0.00 C ATOM 943 C LEU A 62 1.788 -5.804 -8.006 1.00 0.00 C ATOM 944 O LEU A 62 2.384 -6.869 -7.815 1.00 0.00 O ATOM 945 CB LEU A 62 3.292 -3.923 -7.032 1.00 0.00 C ATOM 946 CG LEU A 62 3.992 -3.653 -8.393 1.00 0.00 C ATOM 947 CD1 LEU A 62 3.482 -2.390 -9.084 1.00 0.00 C ATOM 948 CD2 LEU A 62 5.511 -3.680 -8.287 1.00 0.00 C ATOM 0 H LEU A 62 2.370 -5.637 -5.255 1.00 0.00 H new ATOM 0 HA LEU A 62 1.179 -3.846 -7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.194 -2.967 -6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.962 -4.540 -6.434 1.00 0.00 H new ATOM 0 HG LEU A 62 3.713 -4.486 -9.039 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.008 -2.255 -10.029 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.413 -2.486 -9.274 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.660 -1.527 -8.443 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.948 -3.485 -9.267 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.840 -2.915 -7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.834 -4.659 -7.934 1.00 0.00 H new ATOM 960 N ILE A 63 1.074 -5.540 -9.107 1.00 0.00 N ATOM 961 CA ILE A 63 0.990 -6.456 -10.271 1.00 0.00 C ATOM 962 C ILE A 63 2.080 -5.953 -11.263 1.00 0.00 C ATOM 963 O ILE A 63 2.096 -4.785 -11.672 1.00 0.00 O ATOM 964 CB ILE A 63 -0.451 -6.492 -10.903 1.00 0.00 C ATOM 965 CG1 ILE A 63 -1.572 -7.089 -9.998 1.00 0.00 C ATOM 966 CG2 ILE A 63 -0.498 -7.297 -12.231 1.00 0.00 C ATOM 967 CD1 ILE A 63 -1.889 -6.316 -8.714 1.00 0.00 C ATOM 0 H ILE A 63 0.533 -4.683 -9.225 1.00 0.00 H new ATOM 0 HA ILE A 63 1.170 -7.492 -9.984 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.652 -5.432 -11.056 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.486 -7.162 -10.588 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.287 -8.105 -9.725 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.514 -7.290 -12.625 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.175 -6.841 -12.957 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.188 -8.325 -12.044 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.683 -6.826 -8.169 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.996 -6.264 -8.091 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.214 -5.307 -8.968 1.00 0.00 H new ATOM 979 N ILE A 64 2.954 -6.885 -11.676 1.00 0.00 N ATOM 980 CA ILE A 64 4.009 -6.603 -12.694 1.00 0.00 C ATOM 981 C ILE A 64 3.351 -6.539 -14.108 1.00 0.00 C ATOM 982 O ILE A 64 2.942 -7.567 -14.646 1.00 0.00 O ATOM 983 CB ILE A 64 5.210 -7.613 -12.647 1.00 0.00 C ATOM 984 CG1 ILE A 64 5.911 -7.788 -11.267 1.00 0.00 C ATOM 985 CG2 ILE A 64 6.286 -7.324 -13.728 1.00 0.00 C ATOM 986 CD1 ILE A 64 6.561 -6.553 -10.659 1.00 0.00 C ATOM 0 H ILE A 64 2.960 -7.844 -11.328 1.00 0.00 H new ATOM 0 HA ILE A 64 4.453 -5.636 -12.457 1.00 0.00 H new ATOM 0 HB ILE A 64 4.711 -8.559 -12.858 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.174 -8.166 -10.559 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.677 -8.557 -11.371 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.090 -8.055 -13.645 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.835 -7.392 -14.718 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.690 -6.322 -13.581 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.011 -6.813 -9.701 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.332 -6.178 -11.333 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.806 -5.782 -10.507 1.00 0.00 H new ATOM 998 N GLY A 65 3.291 -5.336 -14.702 1.00 0.00 N ATOM 999 CA GLY A 65 3.019 -5.142 -16.152 1.00 0.00 C ATOM 1000 C GLY A 65 1.773 -5.806 -16.782 1.00 0.00 C ATOM 1001 O GLY A 65 1.890 -6.461 -17.822 1.00 0.00 O ATOM 0 H GLY A 65 3.429 -4.462 -14.195 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.945 -4.069 -16.331 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.892 -5.497 -16.700 1.00 0.00 H new ATOM 1005 N LYS A 66 0.606 -5.647 -16.138 1.00 0.00 N ATOM 1006 CA LYS A 66 -0.659 -6.305 -16.562 1.00 0.00 C ATOM 1007 C LYS A 66 -1.858 -5.454 -16.056 1.00 0.00 C ATOM 1008 O LYS A 66 -2.619 -4.951 -16.888 1.00 0.00 O ATOM 1009 CB LYS A 66 -0.692 -7.810 -16.150 1.00 0.00 C ATOM 1010 CG LYS A 66 -1.737 -8.701 -16.865 1.00 0.00 C ATOM 1011 CD LYS A 66 -3.200 -8.635 -16.358 1.00 0.00 C ATOM 1012 CE LYS A 66 -3.461 -9.123 -14.917 1.00 0.00 C ATOM 1013 NZ LYS A 66 -3.178 -10.559 -14.725 1.00 0.00 N ATOM 0 H LYS A 66 0.503 -5.062 -15.309 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.731 -6.336 -17.649 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.296 -8.234 -16.328 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.874 -7.866 -15.077 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.735 -8.438 -17.923 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.402 -9.736 -16.793 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.539 -7.602 -16.433 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.820 -9.224 -17.034 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.846 -8.544 -14.228 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.501 -8.927 -14.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.373 -10.822 -13.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.782 -11.120 -15.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.179 -10.748 -14.943 1.00 0.00 H new ATOM 1027 N LYS A 67 -2.031 -5.296 -14.723 1.00 0.00 N ATOM 1028 CA LYS A 67 -3.081 -4.450 -14.121 1.00 0.00 C ATOM 1029 C LYS A 67 -2.474 -3.464 -13.077 1.00 0.00 C ATOM 1030 O LYS A 67 -2.815 -3.505 -11.889 1.00 0.00 O ATOM 1031 CB LYS A 67 -4.188 -5.400 -13.567 1.00 0.00 C ATOM 1032 CG LYS A 67 -5.540 -4.745 -13.213 1.00 0.00 C ATOM 1033 CD LYS A 67 -6.206 -4.053 -14.421 1.00 0.00 C ATOM 1034 CE LYS A 67 -7.676 -3.637 -14.221 1.00 0.00 C ATOM 1035 NZ LYS A 67 -7.843 -2.564 -13.222 1.00 0.00 N ATOM 0 H LYS A 67 -1.439 -5.757 -14.032 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.547 -3.795 -14.857 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.370 -6.181 -14.306 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.802 -5.890 -12.674 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.214 -5.505 -12.819 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.387 -4.013 -12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.627 -3.165 -14.673 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.150 -4.724 -15.278 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.086 -3.305 -15.175 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.255 -4.507 -13.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.852 -2.328 -13.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.479 -2.886 -12.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.316 -1.721 -13.527 1.00 0.00 H new ATOM 1049 N PHE A 68 -1.597 -2.541 -13.537 1.00 0.00 N ATOM 1050 CA PHE A 68 -1.027 -1.471 -12.692 1.00 0.00 C ATOM 1051 C PHE A 68 -0.577 -0.270 -13.565 1.00 0.00 C ATOM 1052 O PHE A 68 -0.066 -0.421 -14.682 1.00 0.00 O ATOM 1053 CB PHE A 68 0.158 -2.009 -11.842 1.00 0.00 C ATOM 1054 CG PHE A 68 0.285 -1.345 -10.462 1.00 0.00 C ATOM 1055 CD1 PHE A 68 -0.399 -1.886 -9.366 1.00 0.00 C ATOM 1056 CD2 PHE A 68 1.109 -0.228 -10.271 1.00 0.00 C ATOM 1057 CE1 PHE A 68 -0.263 -1.319 -8.103 1.00 0.00 C ATOM 1058 CE2 PHE A 68 1.237 0.341 -9.006 1.00 0.00 C ATOM 1059 CZ PHE A 68 0.556 -0.208 -7.923 1.00 0.00 C ATOM 0 H PHE A 68 -1.267 -2.519 -14.502 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.803 -1.126 -12.008 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.038 -3.084 -11.708 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.086 -1.859 -12.394 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.035 -2.748 -9.502 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.647 0.193 -11.107 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.793 -1.741 -7.262 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.865 1.208 -8.865 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.663 0.229 -6.941 1.00 0.00 H new ATOM 1069 N LYS A 69 -0.751 0.931 -12.997 1.00 0.00 N ATOM 1070 CA LYS A 69 -0.497 2.214 -13.703 1.00 0.00 C ATOM 1071 C LYS A 69 0.931 2.826 -13.520 1.00 0.00 C ATOM 1072 O LYS A 69 1.354 3.558 -14.419 1.00 0.00 O ATOM 1073 CB LYS A 69 -1.598 3.239 -13.309 1.00 0.00 C ATOM 1074 CG LYS A 69 -3.087 2.832 -13.463 1.00 0.00 C ATOM 1075 CD LYS A 69 -3.537 2.317 -14.847 1.00 0.00 C ATOM 1076 CE LYS A 69 -3.527 3.394 -15.950 1.00 0.00 C ATOM 1077 NZ LYS A 69 -3.987 2.855 -17.242 1.00 0.00 N ATOM 0 H LYS A 69 -1.071 1.051 -12.036 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.540 1.979 -14.766 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.437 3.512 -12.266 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.439 4.139 -13.903 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.304 2.057 -12.727 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.702 3.695 -13.207 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.885 1.497 -15.148 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.544 1.908 -14.762 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.167 4.225 -15.653 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.519 3.793 -16.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.967 3.608 -17.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.361 2.079 -17.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.959 2.497 -17.143 1.00 0.00 H new ATOM 1091 N LEU A 70 1.650 2.572 -12.401 1.00 0.00 N ATOM 1092 CA LEU A 70 2.962 3.198 -12.091 1.00 0.00 C ATOM 1093 C LEU A 70 4.103 2.138 -12.271 1.00 0.00 C ATOM 1094 O LEU A 70 4.291 1.322 -11.361 1.00 0.00 O ATOM 1095 CB LEU A 70 2.856 3.829 -10.669 1.00 0.00 C ATOM 1096 CG LEU A 70 3.920 4.832 -10.144 1.00 0.00 C ATOM 1097 CD1 LEU A 70 4.908 4.215 -9.150 1.00 0.00 C ATOM 1098 CD2 LEU A 70 4.612 5.674 -11.230 1.00 0.00 C ATOM 0 H LEU A 70 1.335 1.922 -11.681 1.00 0.00 H new ATOM 0 HA LEU A 70 3.222 4.005 -12.777 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.892 4.335 -10.618 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.821 3.004 -9.958 1.00 0.00 H new ATOM 0 HG LEU A 70 3.331 5.552 -9.577 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.621 4.974 -8.827 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.364 3.836 -8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.443 3.396 -9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.337 6.343 -10.765 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.124 5.014 -11.930 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.866 6.262 -11.765 1.00 0.00 H new ATOM 1110 N PRO A 71 4.876 2.098 -13.402 1.00 0.00 N ATOM 1111 CA PRO A 71 5.937 1.075 -13.643 1.00 0.00 C ATOM 1112 C PRO A 71 7.316 1.246 -12.929 1.00 0.00 C ATOM 1113 O PRO A 71 8.123 0.312 -12.966 1.00 0.00 O ATOM 1114 CB PRO A 71 6.090 1.142 -15.177 1.00 0.00 C ATOM 1115 CG PRO A 71 5.788 2.596 -15.543 1.00 0.00 C ATOM 1116 CD PRO A 71 4.698 3.001 -14.552 1.00 0.00 C ATOM 0 HA PRO A 71 5.628 0.121 -13.215 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.096 0.858 -15.486 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.400 0.459 -15.672 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.672 3.225 -15.445 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.445 2.686 -16.574 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.802 4.044 -14.255 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.706 2.892 -14.990 1.00 0.00 H new ATOM 1124 N VAL A 72 7.583 2.398 -12.279 1.00 0.00 N ATOM 1125 CA VAL A 72 8.786 2.587 -11.412 1.00 0.00 C ATOM 1126 C VAL A 72 8.782 1.700 -10.121 1.00 0.00 C ATOM 1127 O VAL A 72 9.848 1.208 -9.755 1.00 0.00 O ATOM 1128 CB VAL A 72 9.110 4.092 -11.167 1.00 0.00 C ATOM 1129 CG1 VAL A 72 8.072 4.857 -10.335 1.00 0.00 C ATOM 1130 CG2 VAL A 72 10.518 4.321 -10.570 1.00 0.00 C ATOM 0 H VAL A 72 6.983 3.221 -12.333 1.00 0.00 H new ATOM 0 HA VAL A 72 9.633 2.202 -11.979 1.00 0.00 H new ATOM 0 HB VAL A 72 9.076 4.508 -12.174 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.389 5.894 -10.221 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.107 4.826 -10.840 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.982 4.395 -9.352 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.682 5.389 -10.423 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.595 3.807 -9.612 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.271 3.929 -11.253 1.00 0.00 H new ATOM 1140 N TRP A 73 7.617 1.438 -9.481 1.00 0.00 N ATOM 1141 CA TRP A 73 7.455 0.351 -8.466 1.00 0.00 C ATOM 1142 C TRP A 73 7.935 -1.062 -8.894 1.00 0.00 C ATOM 1143 O TRP A 73 8.547 -1.752 -8.079 1.00 0.00 O ATOM 1144 CB TRP A 73 5.973 0.332 -7.969 1.00 0.00 C ATOM 1145 CG TRP A 73 5.634 1.363 -6.878 1.00 0.00 C ATOM 1146 CD1 TRP A 73 6.352 2.548 -6.598 1.00 0.00 C ATOM 1147 CD2 TRP A 73 4.589 1.357 -5.969 1.00 0.00 C ATOM 1148 NE1 TRP A 73 5.809 3.256 -5.525 1.00 0.00 N ATOM 1149 CE2 TRP A 73 4.713 2.510 -5.153 1.00 0.00 C ATOM 1150 CE3 TRP A 73 3.504 0.463 -5.780 1.00 0.00 C ATOM 1151 CZ2 TRP A 73 3.764 2.777 -4.146 1.00 0.00 C ATOM 1152 CZ3 TRP A 73 2.567 0.757 -4.784 1.00 0.00 C ATOM 1153 CH2 TRP A 73 2.700 1.892 -3.980 1.00 0.00 C ATOM 0 H TRP A 73 6.762 1.968 -9.648 1.00 0.00 H new ATOM 0 HA TRP A 73 8.134 0.602 -7.651 1.00 0.00 H new ATOM 0 HB2 TRP A 73 5.318 0.502 -8.823 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.747 -0.664 -7.588 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.222 2.869 -7.152 1.00 0.00 H new ATOM 0 HE1 TRP A 73 6.146 4.125 -5.112 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.404 -0.423 -6.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.859 3.649 -3.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.727 0.096 -4.634 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.964 2.088 -3.215 1.00 0.00 H new ATOM 1164 N GLU A 74 7.692 -1.448 -10.156 1.00 0.00 N ATOM 1165 CA GLU A 74 8.180 -2.734 -10.743 1.00 0.00 C ATOM 1166 C GLU A 74 9.725 -2.819 -10.953 1.00 0.00 C ATOM 1167 O GLU A 74 10.303 -3.879 -10.714 1.00 0.00 O ATOM 1168 CB GLU A 74 7.460 -3.016 -12.095 1.00 0.00 C ATOM 1169 CG GLU A 74 5.917 -2.895 -12.162 1.00 0.00 C ATOM 1170 CD GLU A 74 5.338 -2.937 -13.581 1.00 0.00 C ATOM 1171 OE1 GLU A 74 5.900 -3.623 -14.466 1.00 0.00 O ATOM 1172 OE2 GLU A 74 4.296 -2.285 -13.815 1.00 0.00 O ATOM 0 H GLU A 74 7.151 -0.884 -10.811 1.00 0.00 H new ATOM 0 HA GLU A 74 7.936 -3.494 -10.001 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.876 -2.336 -12.838 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.725 -4.027 -12.405 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.476 -3.703 -11.579 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.617 -1.960 -11.688 1.00 0.00 H new ATOM 1179 N THR A 75 10.373 -1.722 -11.389 1.00 0.00 N ATOM 1180 CA THR A 75 11.855 -1.602 -11.505 1.00 0.00 C ATOM 1181 C THR A 75 12.587 -1.471 -10.124 1.00 0.00 C ATOM 1182 O THR A 75 13.657 -2.068 -9.965 1.00 0.00 O ATOM 1183 CB THR A 75 12.168 -0.425 -12.481 1.00 0.00 C ATOM 1184 OG1 THR A 75 11.442 -0.557 -13.703 1.00 0.00 O ATOM 1185 CG2 THR A 75 13.649 -0.326 -12.877 1.00 0.00 C ATOM 0 H THR A 75 9.882 -0.876 -11.677 1.00 0.00 H new ATOM 0 HA THR A 75 12.255 -2.530 -11.913 1.00 0.00 H new ATOM 0 HB THR A 75 11.878 0.466 -11.925 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.657 0.195 -14.294 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.789 0.515 -13.556 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.255 -0.175 -11.984 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.956 -1.247 -13.372 1.00 0.00 H new ATOM 1193 N ILE A 76 12.007 -0.762 -9.122 1.00 0.00 N ATOM 1194 CA ILE A 76 12.391 -0.866 -7.676 1.00 0.00 C ATOM 1195 C ILE A 76 12.467 -2.358 -7.191 1.00 0.00 C ATOM 1196 O ILE A 76 13.511 -2.778 -6.683 1.00 0.00 O ATOM 1197 CB ILE A 76 11.459 0.060 -6.790 1.00 0.00 C ATOM 1198 CG1 ILE A 76 11.639 1.589 -7.074 1.00 0.00 C ATOM 1199 CG2 ILE A 76 11.591 -0.179 -5.260 1.00 0.00 C ATOM 1200 CD1 ILE A 76 10.506 2.505 -6.583 1.00 0.00 C ATOM 0 H ILE A 76 11.253 -0.095 -9.288 1.00 0.00 H new ATOM 0 HA ILE A 76 13.406 -0.488 -7.553 1.00 0.00 H new ATOM 0 HB ILE A 76 10.459 -0.243 -7.100 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.570 1.917 -6.612 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.751 1.728 -8.149 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.920 0.495 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 76 11.328 -1.211 -5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 76 12.618 0.012 -4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.740 3.540 -6.835 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.571 2.217 -7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.403 2.409 -5.502 1.00 0.00 H new ATOM 1212 N VAL A 77 11.382 -3.139 -7.359 1.00 0.00 N ATOM 1213 CA VAL A 77 11.309 -4.541 -6.860 1.00 0.00 C ATOM 1214 C VAL A 77 11.855 -5.670 -7.779 1.00 0.00 C ATOM 1215 O VAL A 77 11.978 -6.795 -7.287 1.00 0.00 O ATOM 1216 CB VAL A 77 9.893 -4.887 -6.312 1.00 0.00 C ATOM 1217 CG1 VAL A 77 9.511 -3.997 -5.108 1.00 0.00 C ATOM 1218 CG2 VAL A 77 8.757 -5.024 -7.345 1.00 0.00 C ATOM 0 H VAL A 77 10.537 -2.828 -7.838 1.00 0.00 H new ATOM 0 HA VAL A 77 12.032 -4.531 -6.045 1.00 0.00 H new ATOM 0 HB VAL A 77 10.001 -5.913 -5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.516 -4.270 -4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.233 -4.142 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.513 -2.951 -5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.826 -5.266 -6.832 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.640 -4.084 -7.884 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.000 -5.819 -8.050 1.00 0.00 H new ATOM 1228 N CYS A 78 12.213 -5.421 -9.057 1.00 0.00 N ATOM 1229 CA CYS A 78 12.840 -6.452 -9.930 1.00 0.00 C ATOM 1230 C CYS A 78 14.175 -7.056 -9.388 1.00 0.00 C ATOM 1231 O CYS A 78 14.374 -8.268 -9.494 1.00 0.00 O ATOM 1232 CB CYS A 78 13.023 -5.888 -11.353 1.00 0.00 C ATOM 1233 SG CYS A 78 13.580 -7.204 -12.487 1.00 0.00 S ATOM 0 H CYS A 78 12.081 -4.518 -9.512 1.00 0.00 H new ATOM 0 HA CYS A 78 12.148 -7.294 -9.943 1.00 0.00 H new ATOM 0 HB2 CYS A 78 12.083 -5.466 -11.708 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.751 -5.077 -11.340 1.00 0.00 H new ATOM 0 HG CYS A 78 14.084 -8.185 -11.799 1.00 0.00 H new ATOM 1239 N THR A 79 15.041 -6.228 -8.765 1.00 0.00 N ATOM 1240 CA THR A 79 16.240 -6.693 -8.007 1.00 0.00 C ATOM 1241 C THR A 79 15.997 -7.295 -6.577 1.00 0.00 C ATOM 1242 O THR A 79 16.962 -7.750 -5.954 1.00 0.00 O ATOM 1243 CB THR A 79 17.257 -5.512 -7.909 1.00 0.00 C ATOM 1244 OG1 THR A 79 16.694 -4.394 -7.222 1.00 0.00 O ATOM 1245 CG2 THR A 79 17.792 -5.035 -9.265 1.00 0.00 C ATOM 0 H THR A 79 14.935 -5.214 -8.769 1.00 0.00 H new ATOM 0 HA THR A 79 16.619 -7.538 -8.582 1.00 0.00 H new ATOM 0 HB THR A 79 18.098 -5.919 -7.347 1.00 0.00 H new ATOM 0 HG1 THR A 79 17.355 -3.672 -7.175 1.00 0.00 H new ATOM 0 HG21 THR A 79 18.492 -4.214 -9.111 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.303 -5.858 -9.765 1.00 0.00 H new ATOM 0 HG23 THR A 79 16.962 -4.694 -9.884 1.00 0.00 H new ATOM 1253 N MET A 80 14.751 -7.302 -6.056 1.00 0.00 N ATOM 1254 CA MET A 80 14.443 -7.661 -4.648 1.00 0.00 C ATOM 1255 C MET A 80 13.817 -9.080 -4.568 1.00 0.00 C ATOM 1256 O MET A 80 12.862 -9.380 -5.286 1.00 0.00 O ATOM 1257 CB MET A 80 13.487 -6.614 -4.019 1.00 0.00 C ATOM 1258 CG MET A 80 14.126 -5.245 -3.705 1.00 0.00 C ATOM 1259 SD MET A 80 12.871 -4.074 -3.141 1.00 0.00 S ATOM 1260 CE MET A 80 12.455 -4.718 -1.507 1.00 0.00 C ATOM 0 H MET A 80 13.924 -7.058 -6.601 1.00 0.00 H new ATOM 0 HA MET A 80 15.376 -7.664 -4.084 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.648 -6.458 -4.697 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.079 -7.027 -3.096 1.00 0.00 H new ATOM 0 HG2 MET A 80 14.893 -5.362 -2.939 1.00 0.00 H new ATOM 0 HG3 MET A 80 14.621 -4.856 -4.595 1.00 0.00 H new ATOM 0 HE1 MET A 80 11.400 -4.991 -1.481 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.063 -5.598 -1.297 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.650 -3.954 -0.754 1.00 0.00 H new ATOM 1270 N ARG A 81 14.346 -9.939 -3.676 1.00 0.00 N ATOM 1271 CA ARG A 81 13.857 -11.337 -3.480 1.00 0.00 C ATOM 1272 C ARG A 81 12.989 -11.469 -2.192 1.00 0.00 C ATOM 1273 O ARG A 81 12.926 -10.548 -1.375 1.00 0.00 O ATOM 1274 CB ARG A 81 15.077 -12.303 -3.506 1.00 0.00 C ATOM 1275 CG ARG A 81 16.118 -12.125 -2.378 1.00 0.00 C ATOM 1276 CD ARG A 81 17.388 -12.953 -2.599 1.00 0.00 C ATOM 1277 NE ARG A 81 18.339 -12.701 -1.494 1.00 0.00 N ATOM 1278 CZ ARG A 81 19.529 -13.316 -1.354 1.00 0.00 C ATOM 1279 NH1 ARG A 81 20.008 -14.212 -2.214 1.00 0.00 N ATOM 1280 NH2 ARG A 81 20.270 -13.009 -0.306 1.00 0.00 N ATOM 0 H ARG A 81 15.125 -9.693 -3.066 1.00 0.00 H new ATOM 0 HA ARG A 81 13.190 -11.614 -4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 81 14.703 -13.326 -3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 81 15.586 -12.185 -4.463 1.00 0.00 H new ATOM 0 HG2 ARG A 81 16.387 -11.071 -2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.667 -12.408 -1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.140 -14.013 -2.645 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.845 -12.691 -3.553 1.00 0.00 H new ATOM 0 HE ARG A 81 18.075 -12.013 -0.789 1.00 0.00 H new ATOM 0 HH11 ARG A 81 19.465 -14.469 -3.038 1.00 0.00 H new ATOM 0 HH12 ARG A 81 20.918 -14.641 -2.049 1.00 0.00 H new ATOM 0 HH21 ARG A 81 19.937 -12.323 0.371 1.00 0.00 H new ATOM 0 HH22 ARG A 81 21.176 -13.458 -0.173 1.00 0.00 H new ATOM 1294 N GLU A 82 12.341 -12.636 -1.999 1.00 0.00 N ATOM 1295 CA GLU A 82 11.452 -12.923 -0.832 1.00 0.00 C ATOM 1296 C GLU A 82 12.200 -12.797 0.529 1.00 0.00 C ATOM 1297 O GLU A 82 13.054 -13.626 0.860 1.00 0.00 O ATOM 1298 CB GLU A 82 10.826 -14.341 -0.975 1.00 0.00 C ATOM 1299 CG GLU A 82 9.795 -14.492 -2.114 1.00 0.00 C ATOM 1300 CD GLU A 82 9.148 -15.877 -2.221 1.00 0.00 C ATOM 1301 OE1 GLU A 82 9.879 -16.886 -2.326 1.00 0.00 O ATOM 1302 OE2 GLU A 82 7.899 -15.959 -2.219 1.00 0.00 O ATOM 0 H GLU A 82 12.414 -13.419 -2.649 1.00 0.00 H new ATOM 0 HA GLU A 82 10.661 -12.173 -0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.629 -15.061 -1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.345 -14.605 -0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.009 -13.750 -1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.285 -14.262 -3.060 1.00 0.00 H new ATOM 1309 N GLY A 83 11.886 -11.719 1.268 1.00 0.00 N ATOM 1310 CA GLY A 83 12.617 -11.357 2.509 1.00 0.00 C ATOM 1311 C GLY A 83 13.694 -10.239 2.436 1.00 0.00 C ATOM 1312 O GLY A 83 14.382 -10.041 3.439 1.00 0.00 O ATOM 0 H GLY A 83 11.129 -11.077 1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.879 -11.058 3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.101 -12.259 2.884 1.00 0.00 H new ATOM 1316 N GLU A 84 13.859 -9.525 1.301 1.00 0.00 N ATOM 1317 CA GLU A 84 14.924 -8.504 1.106 1.00 0.00 C ATOM 1318 C GLU A 84 14.361 -7.087 1.371 1.00 0.00 C ATOM 1319 O GLU A 84 13.262 -6.750 0.933 1.00 0.00 O ATOM 1320 CB GLU A 84 15.507 -8.647 -0.329 1.00 0.00 C ATOM 1321 CG GLU A 84 16.731 -7.747 -0.615 1.00 0.00 C ATOM 1322 CD GLU A 84 17.523 -8.112 -1.873 1.00 0.00 C ATOM 1323 OE1 GLU A 84 18.161 -9.188 -1.897 1.00 0.00 O ATOM 1324 OE2 GLU A 84 17.543 -7.306 -2.830 1.00 0.00 O ATOM 0 H GLU A 84 13.256 -9.638 0.486 1.00 0.00 H new ATOM 0 HA GLU A 84 15.734 -8.662 1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.791 -9.687 -0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.724 -8.414 -1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.391 -6.715 -0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.402 -7.788 0.243 1.00 0.00 H new ATOM 1331 N ILE A 85 15.147 -6.263 2.076 1.00 0.00 N ATOM 1332 CA ILE A 85 14.726 -4.905 2.507 1.00 0.00 C ATOM 1333 C ILE A 85 15.747 -3.932 1.865 1.00 0.00 C ATOM 1334 O ILE A 85 16.937 -3.992 2.180 1.00 0.00 O ATOM 1335 CB ILE A 85 14.628 -4.778 4.070 1.00 0.00 C ATOM 1336 CG1 ILE A 85 13.747 -5.867 4.770 1.00 0.00 C ATOM 1337 CG2 ILE A 85 14.068 -3.391 4.463 1.00 0.00 C ATOM 1338 CD1 ILE A 85 14.505 -7.132 5.205 1.00 0.00 C ATOM 0 H ILE A 85 16.093 -6.510 2.368 1.00 0.00 H new ATOM 0 HA ILE A 85 13.715 -4.669 2.173 1.00 0.00 H new ATOM 0 HB ILE A 85 15.651 -4.921 4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.276 -5.424 5.647 1.00 0.00 H new ATOM 0 HG13 ILE A 85 12.946 -6.157 4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.006 -3.318 5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.729 -2.611 4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.074 -3.265 4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.812 -7.827 5.679 1.00 0.00 H new ATOM 0 HD12 ILE A 85 14.953 -7.606 4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.289 -6.861 5.913 1.00 0.00 H new ATOM 1350 N ALA A 86 15.263 -3.045 0.976 1.00 0.00 N ATOM 1351 CA ALA A 86 16.119 -2.071 0.254 1.00 0.00 C ATOM 1352 C ALA A 86 15.439 -0.679 0.195 1.00 0.00 C ATOM 1353 O ALA A 86 14.272 -0.563 -0.197 1.00 0.00 O ATOM 1354 CB ALA A 86 16.431 -2.628 -1.150 1.00 0.00 C ATOM 0 H ALA A 86 14.274 -2.979 0.735 1.00 0.00 H new ATOM 0 HA ALA A 86 17.059 -1.933 0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 86 17.060 -1.921 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.954 -3.580 -1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.500 -2.778 -1.697 1.00 0.00 H new ATOM 1360 N GLN A 87 16.193 0.372 0.586 1.00 0.00 N ATOM 1361 CA GLN A 87 15.705 1.778 0.586 1.00 0.00 C ATOM 1362 C GLN A 87 16.591 2.659 -0.310 1.00 0.00 C ATOM 1363 O GLN A 87 17.823 2.613 -0.209 1.00 0.00 O ATOM 1364 CB GLN A 87 15.492 2.364 1.997 1.00 0.00 C ATOM 1365 CG GLN A 87 16.711 2.805 2.837 1.00 0.00 C ATOM 1366 CD GLN A 87 17.450 4.118 2.488 1.00 0.00 C ATOM 1367 OE1 GLN A 87 18.676 4.185 2.565 1.00 0.00 O ATOM 1368 NE2 GLN A 87 16.756 5.173 2.087 1.00 0.00 N ATOM 0 H GLN A 87 17.155 0.275 0.910 1.00 0.00 H new ATOM 0 HA GLN A 87 14.705 1.767 0.153 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.838 3.230 1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.948 1.620 2.579 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.381 2.883 3.873 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.443 1.999 2.796 1.00 0.00 H new ATOM 0 HE21 GLN A 87 15.739 5.120 2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 87 17.238 6.038 1.843 1.00 0.00 H new ATOM 1377 N PHE A 88 15.958 3.451 -1.196 1.00 0.00 N ATOM 1378 CA PHE A 88 16.684 4.109 -2.309 1.00 0.00 C ATOM 1379 C PHE A 88 15.783 5.074 -3.128 1.00 0.00 C ATOM 1380 O PHE A 88 14.558 4.926 -3.188 1.00 0.00 O ATOM 1381 CB PHE A 88 17.377 3.065 -3.223 1.00 0.00 C ATOM 1382 CG PHE A 88 16.526 1.938 -3.835 1.00 0.00 C ATOM 1383 CD1 PHE A 88 15.743 2.179 -4.966 1.00 0.00 C ATOM 1384 CD2 PHE A 88 16.653 0.631 -3.353 1.00 0.00 C ATOM 1385 CE1 PHE A 88 15.156 1.116 -5.639 1.00 0.00 C ATOM 1386 CE2 PHE A 88 16.094 -0.432 -4.054 1.00 0.00 C ATOM 1387 CZ PHE A 88 15.363 -0.188 -5.207 1.00 0.00 C ATOM 0 H PHE A 88 14.958 3.652 -1.168 1.00 0.00 H new ATOM 0 HA PHE A 88 17.459 4.726 -1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 88 17.849 3.606 -4.043 1.00 0.00 H new ATOM 0 HB3 PHE A 88 18.176 2.600 -2.646 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.594 3.190 -5.316 1.00 0.00 H new ATOM 0 HD2 PHE A 88 17.187 0.447 -2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 88 14.535 1.304 -6.503 1.00 0.00 H new ATOM 0 HE2 PHE A 88 16.229 -1.444 -3.702 1.00 0.00 H new ATOM 0 HZ PHE A 88 14.954 -1.014 -5.770 1.00 0.00 H new ATOM 1397 N LEU A 89 16.438 6.032 -3.812 1.00 0.00 N ATOM 1398 CA LEU A 89 15.751 7.054 -4.647 1.00 0.00 C ATOM 1399 C LEU A 89 15.467 6.601 -6.108 1.00 0.00 C ATOM 1400 O LEU A 89 16.152 5.734 -6.662 1.00 0.00 O ATOM 1401 CB LEU A 89 16.433 8.456 -4.549 1.00 0.00 C ATOM 1402 CG LEU A 89 17.933 8.632 -4.938 1.00 0.00 C ATOM 1403 CD1 LEU A 89 18.195 8.571 -6.458 1.00 0.00 C ATOM 1404 CD2 LEU A 89 18.471 9.967 -4.384 1.00 0.00 C ATOM 0 H LEU A 89 17.454 6.125 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 89 14.759 7.166 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 89 15.856 9.139 -5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 89 16.325 8.796 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 89 18.458 7.787 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 89 19.260 8.701 -6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 89 17.873 7.604 -6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 89 17.637 9.365 -6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 89 19.519 10.080 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 89 17.894 10.793 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 89 18.380 9.973 -3.298 1.00 0.00 H new ATOM 1416 N CYS A 90 14.461 7.253 -6.727 1.00 0.00 N ATOM 1417 CA CYS A 90 14.262 7.221 -8.196 1.00 0.00 C ATOM 1418 C CYS A 90 14.171 8.671 -8.736 1.00 0.00 C ATOM 1419 O CYS A 90 13.564 9.550 -8.111 1.00 0.00 O ATOM 1420 CB CYS A 90 12.986 6.445 -8.575 1.00 0.00 C ATOM 1421 SG CYS A 90 12.951 4.797 -7.794 1.00 0.00 S ATOM 0 H CYS A 90 13.768 7.813 -6.230 1.00 0.00 H new ATOM 0 HA CYS A 90 15.113 6.708 -8.644 1.00 0.00 H new ATOM 0 HB2 CYS A 90 12.108 7.013 -8.268 1.00 0.00 H new ATOM 0 HB3 CYS A 90 12.933 6.337 -9.658 1.00 0.00 H new ATOM 0 HG CYS A 90 12.687 3.896 -8.693 1.00 0.00 H new ATOM 1427 N ASP A 91 14.732 8.896 -9.939 1.00 0.00 N ATOM 1428 CA ASP A 91 14.667 10.208 -10.633 1.00 0.00 C ATOM 1429 C ASP A 91 13.215 10.553 -11.091 1.00 0.00 C ATOM 1430 O ASP A 91 12.421 9.672 -11.434 1.00 0.00 O ATOM 1431 CB ASP A 91 15.700 10.183 -11.795 1.00 0.00 C ATOM 1432 CG ASP A 91 16.007 11.554 -12.416 1.00 0.00 C ATOM 1433 OD1 ASP A 91 16.859 12.286 -11.868 1.00 0.00 O ATOM 1434 OD2 ASP A 91 15.390 11.905 -13.446 1.00 0.00 O ATOM 0 H ASP A 91 15.241 8.182 -10.459 1.00 0.00 H new ATOM 0 HA ASP A 91 14.931 11.015 -9.950 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.630 9.751 -11.426 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.329 9.521 -12.577 1.00 0.00 H new ATOM 1439 N ILE A 92 12.894 11.858 -11.077 1.00 0.00 N ATOM 1440 CA ILE A 92 11.562 12.404 -11.470 1.00 0.00 C ATOM 1441 C ILE A 92 10.998 12.054 -12.874 1.00 0.00 C ATOM 1442 O ILE A 92 9.777 11.972 -12.988 1.00 0.00 O ATOM 1443 CB ILE A 92 11.439 13.950 -11.207 1.00 0.00 C ATOM 1444 CG1 ILE A 92 12.751 14.792 -11.290 1.00 0.00 C ATOM 1445 CG2 ILE A 92 10.672 14.176 -9.893 1.00 0.00 C ATOM 1446 CD1 ILE A 92 12.566 16.311 -11.414 1.00 0.00 C ATOM 0 H ILE A 92 13.554 12.581 -10.790 1.00 0.00 H new ATOM 0 HA ILE A 92 10.917 11.844 -10.793 1.00 0.00 H new ATOM 0 HB ILE A 92 10.878 14.346 -12.054 1.00 0.00 H new ATOM 0 HG12 ILE A 92 13.347 14.589 -10.400 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.329 14.445 -12.146 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.582 15.246 -9.703 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.677 13.737 -9.972 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.212 13.706 -9.071 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.542 16.794 -11.464 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.003 16.536 -12.320 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.021 16.683 -10.546 1.00 0.00 H new ATOM 1458 N LYS A 93 11.818 11.809 -13.908 1.00 0.00 N ATOM 1459 CA LYS A 93 11.340 11.167 -15.178 1.00 0.00 C ATOM 1460 C LYS A 93 10.573 9.795 -15.056 1.00 0.00 C ATOM 1461 O LYS A 93 9.756 9.469 -15.920 1.00 0.00 O ATOM 1462 CB LYS A 93 12.524 11.083 -16.182 1.00 0.00 C ATOM 1463 CG LYS A 93 13.612 10.025 -15.868 1.00 0.00 C ATOM 1464 CD LYS A 93 14.911 10.128 -16.691 1.00 0.00 C ATOM 1465 CE LYS A 93 14.747 9.759 -18.179 1.00 0.00 C ATOM 1466 NZ LYS A 93 16.030 9.834 -18.898 1.00 0.00 N ATOM 0 H LYS A 93 12.812 12.038 -13.906 1.00 0.00 H new ATOM 0 HA LYS A 93 10.553 11.825 -15.546 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.119 10.875 -17.173 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.002 12.062 -16.232 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.868 10.099 -14.811 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.184 9.035 -16.024 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.293 11.147 -16.621 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.662 9.475 -16.247 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.340 8.751 -18.262 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.028 10.433 -18.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.884 9.580 -19.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.405 10.802 -18.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.708 9.173 -18.468 1.00 0.00 H new ATOM 1480 N HIS A 94 10.855 9.022 -13.990 1.00 0.00 N ATOM 1481 CA HIS A 94 10.186 7.738 -13.661 1.00 0.00 C ATOM 1482 C HIS A 94 9.013 7.965 -12.647 1.00 0.00 C ATOM 1483 O HIS A 94 7.941 7.390 -12.853 1.00 0.00 O ATOM 1484 CB HIS A 94 11.206 6.692 -13.124 1.00 0.00 C ATOM 1485 CG HIS A 94 12.497 6.467 -13.933 1.00 0.00 C ATOM 1486 ND1 HIS A 94 12.685 5.558 -14.962 1.00 0.00 N ATOM 1487 CD2 HIS A 94 13.674 7.203 -13.731 1.00 0.00 C ATOM 1488 CE1 HIS A 94 13.989 5.845 -15.292 1.00 0.00 C ATOM 1489 NE2 HIS A 94 14.669 6.832 -14.622 1.00 0.00 N ATOM 0 H HIS A 94 11.574 9.276 -13.312 1.00 0.00 H new ATOM 0 HA HIS A 94 9.760 7.335 -14.580 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.491 6.989 -12.115 1.00 0.00 H new ATOM 0 HB3 HIS A 94 10.692 5.735 -13.041 1.00 0.00 H new ATOM 0 HD2 HIS A 94 13.791 7.965 -12.974 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.479 5.293 -16.080 1.00 0.00 H new ATOM 0 HE2 HIS A 94 15.618 7.185 -14.743 1.00 0.00 H new ATOM 1497 N VAL A 95 9.195 8.789 -11.579 1.00 0.00 N ATOM 1498 CA VAL A 95 8.115 9.123 -10.593 1.00 0.00 C ATOM 1499 C VAL A 95 7.263 10.400 -10.949 1.00 0.00 C ATOM 1500 O VAL A 95 6.644 10.998 -10.063 1.00 0.00 O ATOM 1501 CB VAL A 95 8.707 9.164 -9.139 1.00 0.00 C ATOM 1502 CG1 VAL A 95 9.359 7.830 -8.717 1.00 0.00 C ATOM 1503 CG2 VAL A 95 9.683 10.325 -8.842 1.00 0.00 C ATOM 0 H VAL A 95 10.086 9.241 -11.373 1.00 0.00 H new ATOM 0 HA VAL A 95 7.384 8.316 -10.649 1.00 0.00 H new ATOM 0 HB VAL A 95 7.818 9.347 -8.535 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.750 7.921 -7.703 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.614 7.035 -8.749 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.174 7.591 -9.400 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.029 10.255 -7.811 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.537 10.264 -9.516 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.172 11.277 -8.989 1.00 0.00 H new ATOM 1513 N VAL A 96 7.181 10.784 -12.241 1.00 0.00 N ATOM 1514 CA VAL A 96 6.362 11.937 -12.733 1.00 0.00 C ATOM 1515 C VAL A 96 4.818 11.730 -12.573 1.00 0.00 C ATOM 1516 O VAL A 96 4.109 12.659 -12.174 1.00 0.00 O ATOM 1517 CB VAL A 96 6.857 12.373 -14.172 1.00 0.00 C ATOM 1518 CG1 VAL A 96 5.871 12.251 -15.360 1.00 0.00 C ATOM 1519 CG2 VAL A 96 7.436 13.807 -14.170 1.00 0.00 C ATOM 0 H VAL A 96 7.683 10.304 -12.988 1.00 0.00 H new ATOM 0 HA VAL A 96 6.534 12.793 -12.080 1.00 0.00 H new ATOM 0 HB VAL A 96 7.617 11.615 -14.361 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.359 12.588 -16.274 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.566 11.211 -15.474 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.993 12.868 -15.169 1.00 0.00 H new ATOM 0 HG21 VAL A 96 7.764 14.068 -15.176 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.668 14.509 -13.845 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.284 13.856 -13.487 1.00 0.00 H new ATOM 1529 N LEU A 97 4.339 10.516 -12.896 1.00 0.00 N ATOM 1530 CA LEU A 97 2.950 10.058 -12.624 1.00 0.00 C ATOM 1531 C LEU A 97 2.728 9.246 -11.300 1.00 0.00 C ATOM 1532 O LEU A 97 1.646 8.687 -11.116 1.00 0.00 O ATOM 1533 CB LEU A 97 2.429 9.297 -13.880 1.00 0.00 C ATOM 1534 CG LEU A 97 3.189 7.988 -14.278 1.00 0.00 C ATOM 1535 CD1 LEU A 97 2.226 6.824 -14.569 1.00 0.00 C ATOM 1536 CD2 LEU A 97 4.158 8.186 -15.461 1.00 0.00 C ATOM 0 H LEU A 97 4.909 9.809 -13.361 1.00 0.00 H new ATOM 0 HA LEU A 97 2.361 10.956 -12.437 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.382 9.045 -13.714 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.462 9.980 -14.729 1.00 0.00 H new ATOM 0 HG LEU A 97 3.789 7.729 -13.406 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.799 5.937 -14.841 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.631 6.613 -13.680 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.565 7.096 -15.392 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.653 7.242 -15.687 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.601 8.522 -16.335 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.906 8.934 -15.198 1.00 0.00 H new ATOM 1548 N TYR A 98 3.680 9.248 -10.344 1.00 0.00 N ATOM 1549 CA TYR A 98 3.417 8.862 -8.932 1.00 0.00 C ATOM 1550 C TYR A 98 2.341 9.730 -8.179 1.00 0.00 C ATOM 1551 O TYR A 98 1.508 9.080 -7.545 1.00 0.00 O ATOM 1552 CB TYR A 98 4.765 8.779 -8.162 1.00 0.00 C ATOM 1553 CG TYR A 98 4.655 8.278 -6.706 1.00 0.00 C ATOM 1554 CD1 TYR A 98 4.155 7.000 -6.419 1.00 0.00 C ATOM 1555 CD2 TYR A 98 4.888 9.172 -5.657 1.00 0.00 C ATOM 1556 CE1 TYR A 98 3.839 6.649 -5.110 1.00 0.00 C ATOM 1557 CE2 TYR A 98 4.586 8.812 -4.348 1.00 0.00 C ATOM 1558 CZ TYR A 98 4.040 7.559 -4.076 1.00 0.00 C ATOM 1559 OH TYR A 98 3.678 7.228 -2.795 1.00 0.00 O ATOM 0 H TYR A 98 4.648 9.515 -10.522 1.00 0.00 H new ATOM 0 HA TYR A 98 2.949 7.878 -8.963 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.438 8.118 -8.708 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.224 9.767 -8.156 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.015 6.285 -7.217 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.304 10.147 -5.864 1.00 0.00 H new ATOM 0 HE1 TYR A 98 3.437 5.670 -4.896 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.775 9.505 -3.541 1.00 0.00 H new ATOM 0 HH TYR A 98 3.757 6.259 -2.673 1.00 0.00 H new ATOM 1569 N PRO A 99 2.262 11.098 -8.180 1.00 0.00 N ATOM 1570 CA PRO A 99 1.079 11.830 -7.636 1.00 0.00 C ATOM 1571 C PRO A 99 -0.296 11.631 -8.361 1.00 0.00 C ATOM 1572 O PRO A 99 -1.322 12.022 -7.802 1.00 0.00 O ATOM 1573 CB PRO A 99 1.545 13.294 -7.686 1.00 0.00 C ATOM 1574 CG PRO A 99 2.545 13.363 -8.842 1.00 0.00 C ATOM 1575 CD PRO A 99 3.187 11.984 -8.910 1.00 0.00 C ATOM 0 HA PRO A 99 0.829 11.444 -6.648 1.00 0.00 H new ATOM 0 HB2 PRO A 99 0.705 13.968 -7.853 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.010 13.591 -6.746 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.045 13.609 -9.779 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.294 14.136 -8.667 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.314 11.658 -9.942 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.176 11.986 -8.452 1.00 0.00 H new ATOM 1583 N LEU A 100 -0.321 11.033 -9.570 1.00 0.00 N ATOM 1584 CA LEU A 100 -1.575 10.647 -10.273 1.00 0.00 C ATOM 1585 C LEU A 100 -2.074 9.226 -9.851 1.00 0.00 C ATOM 1586 O LEU A 100 -3.275 9.034 -9.646 1.00 0.00 O ATOM 1587 CB LEU A 100 -1.402 10.750 -11.821 1.00 0.00 C ATOM 1588 CG LEU A 100 -0.671 11.988 -12.427 1.00 0.00 C ATOM 1589 CD1 LEU A 100 -0.689 11.938 -13.967 1.00 0.00 C ATOM 1590 CD2 LEU A 100 -1.177 13.352 -11.920 1.00 0.00 C ATOM 0 H LEU A 100 0.525 10.802 -10.091 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.346 11.356 -9.970 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.867 9.860 -12.151 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.396 10.707 -12.265 1.00 0.00 H new ATOM 0 HG LEU A 100 0.356 11.913 -12.069 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.173 12.812 -14.365 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.186 11.033 -14.308 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.721 11.934 -14.319 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.609 14.151 -12.397 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.234 13.462 -12.164 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.047 13.410 -10.839 1.00 0.00 H new ATOM 1602 N VAL A 101 -1.152 8.247 -9.729 1.00 0.00 N ATOM 1603 CA VAL A 101 -1.456 6.840 -9.338 1.00 0.00 C ATOM 1604 C VAL A 101 -1.601 6.634 -7.801 1.00 0.00 C ATOM 1605 O VAL A 101 -2.421 5.811 -7.400 1.00 0.00 O ATOM 1606 CB VAL A 101 -0.423 5.851 -9.973 1.00 0.00 C ATOM 1607 CG1 VAL A 101 -0.718 4.366 -9.634 1.00 0.00 C ATOM 1608 CG2 VAL A 101 -0.341 6.004 -11.508 1.00 0.00 C ATOM 0 H VAL A 101 -0.159 8.407 -9.900 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.441 6.611 -9.745 1.00 0.00 H new ATOM 0 HB VAL A 101 0.535 6.123 -9.529 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.033 3.730 -10.103 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.688 4.227 -8.553 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.706 4.097 -10.007 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.388 5.298 -11.906 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.318 5.802 -11.947 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.035 7.020 -11.757 1.00 0.00 H new ATOM 1618 N ALA A 102 -0.850 7.358 -6.954 1.00 0.00 N ATOM 1619 CA ALA A 102 -1.183 7.510 -5.509 1.00 0.00 C ATOM 1620 C ALA A 102 -2.617 8.018 -5.159 1.00 0.00 C ATOM 1621 O ALA A 102 -3.159 7.624 -4.123 1.00 0.00 O ATOM 1622 CB ALA A 102 -0.151 8.440 -4.861 1.00 0.00 C ATOM 0 H ALA A 102 -0.004 7.852 -7.237 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.156 6.494 -5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.383 8.560 -3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.845 8.009 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.180 9.413 -5.351 1.00 0.00 H new ATOM 1628 N LYS A 103 -3.238 8.833 -6.040 1.00 0.00 N ATOM 1629 CA LYS A 103 -4.693 9.127 -5.994 1.00 0.00 C ATOM 1630 C LYS A 103 -5.672 7.979 -6.438 1.00 0.00 C ATOM 1631 O LYS A 103 -6.879 8.233 -6.524 1.00 0.00 O ATOM 1632 CB LYS A 103 -4.916 10.422 -6.840 1.00 0.00 C ATOM 1633 CG LYS A 103 -4.950 11.742 -6.050 1.00 0.00 C ATOM 1634 CD LYS A 103 -3.678 12.144 -5.278 1.00 0.00 C ATOM 1635 CE LYS A 103 -3.555 13.655 -4.984 1.00 0.00 C ATOM 1636 NZ LYS A 103 -4.645 14.196 -4.147 1.00 0.00 N ATOM 0 H LYS A 103 -2.750 9.305 -6.801 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.957 9.249 -4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.123 10.487 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.856 10.321 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.188 12.545 -6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.772 11.686 -5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.655 11.600 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.806 11.826 -5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -2.603 13.841 -4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.533 14.198 -5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.306 15.036 -3.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.449 14.460 -4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.949 13.474 -3.463 1.00 0.00 H new ATOM 1650 N SER A 104 -5.202 6.738 -6.676 1.00 0.00 N ATOM 1651 CA SER A 104 -6.066 5.561 -6.956 1.00 0.00 C ATOM 1652 C SER A 104 -5.584 4.261 -6.242 1.00 0.00 C ATOM 1653 O SER A 104 -6.434 3.525 -5.738 1.00 0.00 O ATOM 1654 CB SER A 104 -6.227 5.338 -8.478 1.00 0.00 C ATOM 1655 OG SER A 104 -6.913 6.426 -9.088 1.00 0.00 O ATOM 0 H SER A 104 -4.206 6.517 -6.681 1.00 0.00 H new ATOM 0 HA SER A 104 -7.045 5.793 -6.535 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.245 5.221 -8.937 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.775 4.413 -8.657 1.00 0.00 H new ATOM 0 HG SER A 104 -7.000 6.260 -10.050 1.00 0.00 H new ATOM 1661 N LEU A 105 -4.266 3.961 -6.128 1.00 0.00 N ATOM 1662 CA LEU A 105 -3.745 2.928 -5.180 1.00 0.00 C ATOM 1663 C LEU A 105 -4.111 3.112 -3.665 1.00 0.00 C ATOM 1664 O LEU A 105 -4.104 2.128 -2.921 1.00 0.00 O ATOM 1665 CB LEU A 105 -2.226 2.686 -5.443 1.00 0.00 C ATOM 1666 CG LEU A 105 -1.176 3.531 -4.660 1.00 0.00 C ATOM 1667 CD1 LEU A 105 -0.785 2.915 -3.300 1.00 0.00 C ATOM 1668 CD2 LEU A 105 0.097 3.759 -5.496 1.00 0.00 C ATOM 0 H LEU A 105 -3.539 4.417 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.294 2.014 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.021 1.635 -5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.048 2.844 -6.507 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.665 4.485 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.051 3.554 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.671 2.830 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.356 1.926 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.809 4.352 -4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.545 2.797 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.160 4.290 -6.413 1.00 0.00 H new ATOM 2135 N ASP A 137 1.353 16.673 0.815 1.00 0.00 N ATOM 2136 CA ASP A 137 2.733 16.123 0.696 1.00 0.00 C ATOM 2137 C ASP A 137 3.013 15.455 -0.686 1.00 0.00 C ATOM 2138 O ASP A 137 4.066 15.725 -1.270 1.00 0.00 O ATOM 2139 CB ASP A 137 3.010 15.132 1.850 1.00 0.00 C ATOM 2140 CG ASP A 137 3.003 15.709 3.274 1.00 0.00 C ATOM 2141 OD1 ASP A 137 4.003 16.348 3.673 1.00 0.00 O ATOM 2142 OD2 ASP A 137 2.001 15.522 3.999 1.00 0.00 O ATOM 0 HA ASP A 137 3.418 16.968 0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 137 2.266 14.337 1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 137 3.982 14.670 1.675 1.00 0.00 H new ATOM 2147 N LEU A 138 2.095 14.617 -1.224 1.00 0.00 N ATOM 2148 CA LEU A 138 2.117 14.226 -2.666 1.00 0.00 C ATOM 2149 C LEU A 138 1.619 15.350 -3.640 1.00 0.00 C ATOM 2150 O LEU A 138 2.046 15.352 -4.798 1.00 0.00 O ATOM 2151 CB LEU A 138 1.412 12.866 -2.949 1.00 0.00 C ATOM 2152 CG LEU A 138 0.070 12.545 -2.230 1.00 0.00 C ATOM 2153 CD1 LEU A 138 -0.816 11.654 -3.109 1.00 0.00 C ATOM 2154 CD2 LEU A 138 0.278 11.846 -0.867 1.00 0.00 C ATOM 0 H LEU A 138 1.333 14.198 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 138 3.175 14.084 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 138 1.232 12.806 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 138 2.116 12.073 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.416 13.504 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.749 11.441 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -1.033 12.167 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -0.297 10.719 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.691 11.645 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 138 0.810 10.906 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 138 0.862 12.493 -0.212 1.00 0.00 H new ATOM 2166 N ASP A 139 0.771 16.309 -3.194 1.00 0.00 N ATOM 2167 CA ASP A 139 0.483 17.555 -3.974 1.00 0.00 C ATOM 2168 C ASP A 139 1.580 18.672 -3.911 1.00 0.00 C ATOM 2169 O ASP A 139 1.535 19.586 -4.740 1.00 0.00 O ATOM 2170 CB ASP A 139 -0.905 18.117 -3.583 1.00 0.00 C ATOM 2171 CG ASP A 139 -2.094 17.268 -4.059 1.00 0.00 C ATOM 2172 OD1 ASP A 139 -2.580 17.483 -5.192 1.00 0.00 O ATOM 2173 OD2 ASP A 139 -2.536 16.376 -3.305 1.00 0.00 O ATOM 0 H ASP A 139 0.274 16.252 -2.305 1.00 0.00 H new ATOM 0 HA ASP A 139 0.489 17.242 -5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -0.953 18.210 -2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -1.005 19.122 -3.994 1.00 0.00 H new ATOM 2178 N ALA A 140 2.598 18.579 -3.025 1.00 0.00 N ATOM 2179 CA ALA A 140 3.901 19.274 -3.209 1.00 0.00 C ATOM 2180 C ALA A 140 4.677 18.959 -4.527 1.00 0.00 C ATOM 2181 O ALA A 140 5.374 19.843 -5.023 1.00 0.00 O ATOM 2182 CB ALA A 140 4.801 18.969 -2.000 1.00 0.00 C ATOM 0 H ALA A 140 2.545 18.027 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 140 3.649 20.331 -3.289 1.00 0.00 H new ATOM 0 HB1 ALA A 140 5.759 19.473 -2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.319 19.324 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 140 4.963 17.893 -1.929 1.00 0.00 H new ATOM 2188 N LEU A 141 4.541 17.744 -5.100 1.00 0.00 N ATOM 2189 CA LEU A 141 5.063 17.398 -6.455 1.00 0.00 C ATOM 2190 C LEU A 141 4.328 18.081 -7.645 1.00 0.00 C ATOM 2191 O LEU A 141 4.971 18.475 -8.619 1.00 0.00 O ATOM 2192 CB LEU A 141 5.047 15.856 -6.706 1.00 0.00 C ATOM 2193 CG LEU A 141 5.426 14.897 -5.548 1.00 0.00 C ATOM 2194 CD1 LEU A 141 5.166 13.429 -5.926 1.00 0.00 C ATOM 2195 CD2 LEU A 141 6.869 15.084 -5.053 1.00 0.00 C ATOM 0 H LEU A 141 4.066 16.967 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 141 6.082 17.785 -6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 141 4.044 15.588 -7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 141 5.723 15.652 -7.536 1.00 0.00 H new ATOM 0 HG LEU A 141 4.774 15.163 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.443 12.784 -5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 141 4.109 13.294 -6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.762 13.167 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 141 7.069 14.383 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 141 7.562 14.898 -5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 141 7.000 16.104 -4.691 1.00 0.00 H new ATOM 2207 N GLN A 142 2.992 18.214 -7.564 1.00 0.00 N ATOM 2208 CA GLN A 142 2.166 18.986 -8.540 1.00 0.00 C ATOM 2209 C GLN A 142 2.568 20.483 -8.752 1.00 0.00 C ATOM 2210 O GLN A 142 2.519 20.973 -9.884 1.00 0.00 O ATOM 2211 CB GLN A 142 0.675 18.893 -8.112 1.00 0.00 C ATOM 2212 CG GLN A 142 0.054 17.480 -8.026 1.00 0.00 C ATOM 2213 CD GLN A 142 -0.198 16.804 -9.383 1.00 0.00 C ATOM 2214 OE1 GLN A 142 -1.255 16.960 -9.994 1.00 0.00 O ATOM 2215 NE2 GLN A 142 0.765 16.046 -9.882 1.00 0.00 N ATOM 0 H GLN A 142 2.441 17.790 -6.818 1.00 0.00 H new ATOM 0 HA GLN A 142 2.349 18.522 -9.509 1.00 0.00 H new ATOM 0 HB2 GLN A 142 0.573 19.367 -7.136 1.00 0.00 H new ATOM 0 HB3 GLN A 142 0.084 19.480 -8.815 1.00 0.00 H new ATOM 0 HG2 GLN A 142 0.713 16.844 -7.436 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -0.891 17.546 -7.487 1.00 0.00 H new ATOM 0 HE21 GLN A 142 1.637 15.924 -9.367 1.00 0.00 H new ATOM 0 HE22 GLN A 142 0.636 15.584 -10.782 1.00 0.00 H new ATOM 2224 N GLN A 143 2.977 21.172 -7.673 1.00 0.00 N ATOM 2225 CA GLN A 143 3.636 22.502 -7.739 1.00 0.00 C ATOM 2226 C GLN A 143 5.176 22.448 -7.984 1.00 0.00 C ATOM 2227 O GLN A 143 5.688 23.368 -8.629 1.00 0.00 O ATOM 2228 CB GLN A 143 3.272 23.351 -6.485 1.00 0.00 C ATOM 2229 CG GLN A 143 3.582 22.737 -5.095 1.00 0.00 C ATOM 2230 CD GLN A 143 3.261 23.669 -3.921 1.00 0.00 C ATOM 2231 OE1 GLN A 143 2.113 23.786 -3.492 1.00 0.00 O ATOM 2232 NE2 GLN A 143 4.261 24.339 -3.369 1.00 0.00 N ATOM 0 H GLN A 143 2.862 20.825 -6.721 1.00 0.00 H new ATOM 0 HA GLN A 143 3.239 22.995 -8.626 1.00 0.00 H new ATOM 0 HB2 GLN A 143 3.798 24.303 -6.558 1.00 0.00 H new ATOM 0 HB3 GLN A 143 2.205 23.572 -6.526 1.00 0.00 H new ATOM 0 HG2 GLN A 143 3.013 21.815 -4.981 1.00 0.00 H new ATOM 0 HG3 GLN A 143 4.637 22.467 -5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 143 5.208 24.234 -3.733 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.084 24.960 -2.580 1.00 0.00 H new ATOM 2241 N ASN A 144 5.915 21.438 -7.467 1.00 0.00 N ATOM 2242 CA ASN A 144 7.397 21.394 -7.569 1.00 0.00 C ATOM 2243 C ASN A 144 7.865 19.907 -7.507 1.00 0.00 C ATOM 2244 O ASN A 144 8.066 19.405 -6.400 1.00 0.00 O ATOM 2245 CB ASN A 144 8.147 22.346 -6.587 1.00 0.00 C ATOM 2246 CG ASN A 144 7.651 22.482 -5.131 1.00 0.00 C ATOM 2247 OD1 ASN A 144 6.993 23.459 -4.777 1.00 0.00 O ATOM 2248 ND2 ASN A 144 7.931 21.520 -4.271 1.00 0.00 N ATOM 0 H ASN A 144 5.511 20.641 -6.975 1.00 0.00 H new ATOM 0 HA ASN A 144 7.681 21.805 -8.538 1.00 0.00 H new ATOM 0 HB2 ASN A 144 9.187 22.022 -6.549 1.00 0.00 H new ATOM 0 HB3 ASN A 144 8.140 23.342 -7.029 1.00 0.00 H new ATOM 0 HD21 ASN A 144 7.601 21.585 -3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 144 8.477 20.712 -4.570 1.00 0.00 H new ATOM 2255 N PRO A 145 8.057 19.156 -8.633 1.00 0.00 N ATOM 2256 CA PRO A 145 8.434 17.715 -8.593 1.00 0.00 C ATOM 2257 C PRO A 145 9.919 17.480 -8.188 1.00 0.00 C ATOM 2258 O PRO A 145 10.816 18.220 -8.606 1.00 0.00 O ATOM 2259 CB PRO A 145 8.061 17.239 -10.012 1.00 0.00 C ATOM 2260 CG PRO A 145 8.123 18.478 -10.905 1.00 0.00 C ATOM 2261 CD PRO A 145 7.730 19.637 -9.988 1.00 0.00 C ATOM 0 HA PRO A 145 7.918 17.144 -7.821 1.00 0.00 H new ATOM 0 HB2 PRO A 145 8.753 16.473 -10.360 1.00 0.00 H new ATOM 0 HB3 PRO A 145 7.064 16.798 -10.026 1.00 0.00 H new ATOM 0 HG2 PRO A 145 9.122 18.620 -11.317 1.00 0.00 H new ATOM 0 HG3 PRO A 145 7.440 18.392 -11.750 1.00 0.00 H new ATOM 0 HD2 PRO A 145 8.284 20.543 -10.233 1.00 0.00 H new ATOM 0 HD3 PRO A 145 6.671 19.876 -10.080 1.00 0.00 H new ATOM 2269 N GLN A 146 10.147 16.462 -7.333 1.00 0.00 N ATOM 2270 CA GLN A 146 11.464 16.219 -6.681 1.00 0.00 C ATOM 2271 C GLN A 146 11.719 14.680 -6.502 1.00 0.00 C ATOM 2272 O GLN A 146 10.759 13.962 -6.197 1.00 0.00 O ATOM 2273 CB GLN A 146 11.557 17.022 -5.351 1.00 0.00 C ATOM 2274 CG GLN A 146 10.565 16.629 -4.222 1.00 0.00 C ATOM 2275 CD GLN A 146 9.927 17.822 -3.492 1.00 0.00 C ATOM 2276 OE1 GLN A 146 10.534 18.451 -2.630 1.00 0.00 O ATOM 2277 NE2 GLN A 146 8.678 18.139 -3.786 1.00 0.00 N ATOM 0 H GLN A 146 9.431 15.784 -7.072 1.00 0.00 H new ATOM 0 HA GLN A 146 12.265 16.583 -7.324 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.570 16.919 -4.963 1.00 0.00 H new ATOM 0 HB3 GLN A 146 11.409 18.077 -5.581 1.00 0.00 H new ATOM 0 HG2 GLN A 146 9.773 16.014 -4.649 1.00 0.00 H new ATOM 0 HG3 GLN A 146 11.090 16.011 -3.493 1.00 0.00 H new ATOM 0 HE21 GLN A 146 8.174 17.616 -4.502 1.00 0.00 H new ATOM 0 HE22 GLN A 146 8.218 18.907 -3.297 1.00 0.00 H new ATOM 2286 N PRO A 147 12.954 14.114 -6.673 1.00 0.00 N ATOM 2287 CA PRO A 147 13.189 12.641 -6.636 1.00 0.00 C ATOM 2288 C PRO A 147 13.126 12.055 -5.188 1.00 0.00 C ATOM 2289 O PRO A 147 13.848 12.502 -4.290 1.00 0.00 O ATOM 2290 CB PRO A 147 14.589 12.529 -7.269 1.00 0.00 C ATOM 2291 CG PRO A 147 15.293 13.855 -6.977 1.00 0.00 C ATOM 2292 CD PRO A 147 14.165 14.883 -7.031 1.00 0.00 C ATOM 0 HA PRO A 147 12.428 12.063 -7.161 1.00 0.00 H new ATOM 0 HB2 PRO A 147 15.143 11.692 -6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 147 14.519 12.353 -8.342 1.00 0.00 H new ATOM 0 HG2 PRO A 147 15.779 13.844 -6.001 1.00 0.00 H new ATOM 0 HG3 PRO A 147 16.066 14.069 -7.715 1.00 0.00 H new ATOM 0 HD2 PRO A 147 14.338 15.701 -6.332 1.00 0.00 H new ATOM 0 HD3 PRO A 147 14.077 15.325 -8.023 1.00 0.00 H new ATOM 2300 N LEU A 148 12.222 11.085 -4.983 1.00 0.00 N ATOM 2301 CA LEU A 148 11.806 10.634 -3.616 1.00 0.00 C ATOM 2302 C LEU A 148 12.483 9.298 -3.191 1.00 0.00 C ATOM 2303 O LEU A 148 12.890 8.499 -4.034 1.00 0.00 O ATOM 2304 CB LEU A 148 10.262 10.450 -3.558 1.00 0.00 C ATOM 2305 CG LEU A 148 9.372 11.655 -3.956 1.00 0.00 C ATOM 2306 CD1 LEU A 148 7.971 11.179 -4.377 1.00 0.00 C ATOM 2307 CD2 LEU A 148 9.333 12.720 -2.845 1.00 0.00 C ATOM 0 H LEU A 148 11.755 10.587 -5.740 1.00 0.00 H new ATOM 0 HA LEU A 148 12.128 11.411 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 148 10.001 9.613 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 148 9.998 10.161 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 148 9.818 12.141 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 148 7.362 12.040 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 148 8.056 10.507 -5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 148 7.501 10.653 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 148 8.700 13.550 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 148 8.929 12.280 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 148 10.342 13.085 -2.655 1.00 0.00 H new ATOM 2319 N ILE A 149 12.520 9.051 -1.867 1.00 0.00 N ATOM 2320 CA ILE A 149 13.066 7.801 -1.250 1.00 0.00 C ATOM 2321 C ILE A 149 11.893 6.802 -1.068 1.00 0.00 C ATOM 2322 O ILE A 149 10.985 7.042 -0.275 1.00 0.00 O ATOM 2323 CB ILE A 149 13.838 8.092 0.087 1.00 0.00 C ATOM 2324 CG1 ILE A 149 15.126 8.950 -0.105 1.00 0.00 C ATOM 2325 CG2 ILE A 149 14.179 6.815 0.900 1.00 0.00 C ATOM 2326 CD1 ILE A 149 16.344 8.251 -0.733 1.00 0.00 C ATOM 0 H ILE A 149 12.170 9.716 -1.177 1.00 0.00 H new ATOM 0 HA ILE A 149 13.811 7.355 -1.909 1.00 0.00 H new ATOM 0 HB ILE A 149 13.126 8.680 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 149 14.871 9.809 -0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 149 15.423 9.338 0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 149 14.711 7.094 1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 149 13.258 6.295 1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 149 14.807 6.158 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 149 17.170 8.958 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 149 16.643 7.410 -0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 149 16.083 7.889 -1.727 1.00 0.00 H new ATOM 2338 N PHE A 150 11.995 5.657 -1.752 1.00 0.00 N ATOM 2339 CA PHE A 150 11.006 4.559 -1.693 1.00 0.00 C ATOM 2340 C PHE A 150 11.672 3.410 -0.888 1.00 0.00 C ATOM 2341 O PHE A 150 12.501 2.658 -1.416 1.00 0.00 O ATOM 2342 CB PHE A 150 10.654 4.111 -3.141 1.00 0.00 C ATOM 2343 CG PHE A 150 9.877 5.107 -4.022 1.00 0.00 C ATOM 2344 CD1 PHE A 150 10.539 6.194 -4.601 1.00 0.00 C ATOM 2345 CD2 PHE A 150 8.507 4.948 -4.247 1.00 0.00 C ATOM 2346 CE1 PHE A 150 9.829 7.141 -5.327 1.00 0.00 C ATOM 2347 CE2 PHE A 150 7.801 5.891 -4.990 1.00 0.00 C ATOM 2348 CZ PHE A 150 8.459 6.987 -5.528 1.00 0.00 C ATOM 0 H PHE A 150 12.778 5.458 -2.375 1.00 0.00 H new ATOM 0 HA PHE A 150 10.077 4.863 -1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 150 11.584 3.863 -3.652 1.00 0.00 H new ATOM 0 HB3 PHE A 150 10.071 3.192 -3.077 1.00 0.00 H new ATOM 0 HD1 PHE A 150 11.608 6.297 -4.483 1.00 0.00 H new ATOM 0 HD2 PHE A 150 7.993 4.089 -3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 150 10.340 7.999 -5.737 1.00 0.00 H new ATOM 0 HE2 PHE A 150 6.740 5.769 -5.147 1.00 0.00 H new ATOM 0 HZ PHE A 150 7.911 7.720 -6.102 1.00 0.00 H new ATOM 2358 N HIS A 151 11.295 3.285 0.398 1.00 0.00 N ATOM 2359 CA HIS A 151 11.743 2.174 1.272 1.00 0.00 C ATOM 2360 C HIS A 151 10.735 1.012 1.118 1.00 0.00 C ATOM 2361 O HIS A 151 9.705 0.962 1.797 1.00 0.00 O ATOM 2362 CB HIS A 151 11.934 2.690 2.725 1.00 0.00 C ATOM 2363 CG HIS A 151 12.424 1.708 3.811 1.00 0.00 C ATOM 2364 ND1 HIS A 151 13.252 2.096 4.850 1.00 0.00 N ATOM 2365 CD2 HIS A 151 12.078 0.346 3.981 1.00 0.00 C ATOM 2366 CE1 HIS A 151 13.344 0.920 5.543 1.00 0.00 C ATOM 2367 NE2 HIS A 151 12.676 -0.195 5.108 1.00 0.00 N ATOM 0 H HIS A 151 10.674 3.946 0.863 1.00 0.00 H new ATOM 0 HA HIS A 151 12.720 1.787 0.983 1.00 0.00 H new ATOM 0 HB2 HIS A 151 12.640 3.520 2.689 1.00 0.00 H new ATOM 0 HB3 HIS A 151 10.979 3.098 3.057 1.00 0.00 H new ATOM 0 HD2 HIS A 151 11.429 -0.203 3.315 1.00 0.00 H new ATOM 0 HE1 HIS A 151 13.946 0.870 6.438 1.00 0.00 H new ATOM 0 HE2 HIS A 151 12.632 -1.137 5.496 1.00 0.00 H new ATOM 2375 N MET A 152 11.104 0.046 0.267 1.00 0.00 N ATOM 2376 CA MET A 152 10.377 -1.233 0.125 1.00 0.00 C ATOM 2377 C MET A 152 10.928 -2.317 1.092 1.00 0.00 C ATOM 2378 O MET A 152 12.132 -2.388 1.369 1.00 0.00 O ATOM 2379 CB MET A 152 10.442 -1.724 -1.341 1.00 0.00 C ATOM 2380 CG MET A 152 9.369 -1.143 -2.272 1.00 0.00 C ATOM 2381 SD MET A 152 9.457 0.643 -2.457 1.00 0.00 S ATOM 2382 CE MET A 152 7.999 0.858 -3.502 1.00 0.00 C ATOM 0 H MET A 152 11.916 0.124 -0.346 1.00 0.00 H new ATOM 0 HA MET A 152 9.335 -1.058 0.393 1.00 0.00 H new ATOM 0 HB2 MET A 152 11.424 -1.479 -1.746 1.00 0.00 H new ATOM 0 HB3 MET A 152 10.357 -2.811 -1.348 1.00 0.00 H new ATOM 0 HG2 MET A 152 9.465 -1.606 -3.254 1.00 0.00 H new ATOM 0 HG3 MET A 152 8.385 -1.411 -1.888 1.00 0.00 H new ATOM 0 HE1 MET A 152 7.872 1.915 -3.736 1.00 0.00 H new ATOM 0 HE2 MET A 152 8.127 0.294 -4.426 1.00 0.00 H new ATOM 0 HE3 MET A 152 7.117 0.495 -2.975 1.00 0.00 H new ATOM 2392 N GLU A 153 10.017 -3.192 1.559 1.00 0.00 N ATOM 2393 CA GLU A 153 10.362 -4.383 2.359 1.00 0.00 C ATOM 2394 C GLU A 153 9.643 -5.568 1.654 1.00 0.00 C ATOM 2395 O GLU A 153 8.432 -5.736 1.802 1.00 0.00 O ATOM 2396 CB GLU A 153 10.019 -4.100 3.859 1.00 0.00 C ATOM 2397 CG GLU A 153 9.337 -5.225 4.658 1.00 0.00 C ATOM 2398 CD GLU A 153 9.384 -5.024 6.172 1.00 0.00 C ATOM 2399 OE1 GLU A 153 8.514 -4.306 6.714 1.00 0.00 O ATOM 2400 OE2 GLU A 153 10.294 -5.580 6.827 1.00 0.00 O ATOM 0 H GLU A 153 9.016 -3.092 1.391 1.00 0.00 H new ATOM 0 HA GLU A 153 11.419 -4.644 2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 153 10.944 -3.837 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 153 9.374 -3.222 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 153 8.296 -5.301 4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 153 9.815 -6.173 4.412 1.00 0.00 H new ATOM 2407 N MET A 154 10.395 -6.409 0.917 1.00 0.00 N ATOM 2408 CA MET A 154 9.861 -7.646 0.299 1.00 0.00 C ATOM 2409 C MET A 154 9.599 -8.741 1.365 1.00 0.00 C ATOM 2410 O MET A 154 10.463 -9.068 2.183 1.00 0.00 O ATOM 2411 CB MET A 154 10.802 -8.140 -0.827 1.00 0.00 C ATOM 2412 CG MET A 154 10.179 -9.178 -1.785 1.00 0.00 C ATOM 2413 SD MET A 154 8.697 -8.555 -2.603 1.00 0.00 S ATOM 2414 CE MET A 154 9.402 -7.290 -3.674 1.00 0.00 C ATOM 0 H MET A 154 11.386 -6.254 0.732 1.00 0.00 H new ATOM 0 HA MET A 154 8.898 -7.416 -0.156 1.00 0.00 H new ATOM 0 HB2 MET A 154 11.130 -7.280 -1.410 1.00 0.00 H new ATOM 0 HB3 MET A 154 11.692 -8.575 -0.372 1.00 0.00 H new ATOM 0 HG2 MET A 154 10.915 -9.461 -2.538 1.00 0.00 H new ATOM 0 HG3 MET A 154 9.931 -10.081 -1.227 1.00 0.00 H new ATOM 0 HE1 MET A 154 8.651 -6.963 -4.394 1.00 0.00 H new ATOM 0 HE2 MET A 154 9.722 -6.440 -3.071 1.00 0.00 H new ATOM 0 HE3 MET A 154 10.260 -7.701 -4.206 1.00 0.00 H new ATOM 2424 N LEU A 155 8.381 -9.287 1.302 1.00 0.00 N ATOM 2425 CA LEU A 155 7.949 -10.469 2.092 1.00 0.00 C ATOM 2426 C LEU A 155 7.756 -11.683 1.134 1.00 0.00 C ATOM 2427 O LEU A 155 8.462 -12.682 1.289 1.00 0.00 O ATOM 2428 CB LEU A 155 6.733 -10.206 3.046 1.00 0.00 C ATOM 2429 CG LEU A 155 5.758 -9.024 2.735 1.00 0.00 C ATOM 2430 CD1 LEU A 155 4.309 -9.330 3.130 1.00 0.00 C ATOM 2431 CD2 LEU A 155 6.216 -7.713 3.400 1.00 0.00 C ATOM 0 H LEU A 155 7.648 -8.922 0.694 1.00 0.00 H new ATOM 0 HA LEU A 155 8.746 -10.710 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 155 6.140 -11.120 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 155 7.131 -10.047 4.048 1.00 0.00 H new ATOM 0 HG LEU A 155 5.788 -8.897 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 155 3.678 -8.474 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 155 3.959 -10.204 2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 155 4.258 -9.530 4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 155 5.511 -6.917 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 155 6.255 -7.848 4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 155 7.206 -7.445 3.032 1.00 0.00 H new ATOM 2443 N LYS A 156 6.814 -11.591 0.173 1.00 0.00 N ATOM 2444 CA LYS A 156 6.503 -12.662 -0.806 1.00 0.00 C ATOM 2445 C LYS A 156 6.484 -12.090 -2.244 1.00 0.00 C ATOM 2446 O LYS A 156 6.352 -10.890 -2.498 1.00 0.00 O ATOM 2447 CB LYS A 156 5.148 -13.348 -0.494 1.00 0.00 C ATOM 2448 CG LYS A 156 5.110 -14.267 0.736 1.00 0.00 C ATOM 2449 CD LYS A 156 5.827 -15.635 0.668 1.00 0.00 C ATOM 2450 CE LYS A 156 7.298 -15.612 1.121 1.00 0.00 C ATOM 2451 NZ LYS A 156 7.848 -16.972 1.265 1.00 0.00 N ATOM 0 H LYS A 156 6.237 -10.759 0.050 1.00 0.00 H new ATOM 0 HA LYS A 156 7.288 -13.414 -0.727 1.00 0.00 H new ATOM 0 HB2 LYS A 156 4.395 -12.571 -0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 156 4.853 -13.933 -1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 156 5.534 -13.714 1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 156 4.063 -14.455 0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 156 5.281 -16.347 1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 156 5.782 -16.003 -0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 156 7.892 -15.054 0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 156 7.377 -15.085 2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 8.840 -16.915 1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 7.297 -17.496 1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 7.796 -17.466 0.351 1.00 0.00 H new ATOM 2465 N VAL A 157 6.604 -13.021 -3.194 1.00 0.00 N ATOM 2466 CA VAL A 157 6.463 -12.742 -4.643 1.00 0.00 C ATOM 2467 C VAL A 157 6.153 -14.106 -5.333 1.00 0.00 C ATOM 2468 O VAL A 157 6.910 -15.075 -5.200 1.00 0.00 O ATOM 2469 CB VAL A 157 7.627 -11.894 -5.269 1.00 0.00 C ATOM 2470 CG1 VAL A 157 9.048 -12.270 -4.810 1.00 0.00 C ATOM 2471 CG2 VAL A 157 7.545 -11.836 -6.804 1.00 0.00 C ATOM 0 H VAL A 157 6.803 -14.000 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 157 5.631 -12.060 -4.821 1.00 0.00 H new ATOM 0 HB VAL A 157 7.456 -10.896 -4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 157 9.773 -11.623 -5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 157 9.126 -12.146 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 157 9.252 -13.308 -5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.371 -11.239 -7.190 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.607 -12.846 -7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 157 6.599 -11.383 -7.101 1.00 0.00 H new ATOM 2481 N GLU A 158 5.038 -14.136 -6.089 1.00 0.00 N ATOM 2482 CA GLU A 158 4.553 -15.357 -6.784 1.00 0.00 C ATOM 2483 C GLU A 158 4.428 -15.050 -8.303 1.00 0.00 C ATOM 2484 O GLU A 158 3.748 -14.109 -8.718 1.00 0.00 O ATOM 2485 CB GLU A 158 3.198 -15.823 -6.192 1.00 0.00 C ATOM 2486 CG GLU A 158 3.273 -16.460 -4.788 1.00 0.00 C ATOM 2487 CD GLU A 158 1.910 -16.972 -4.314 1.00 0.00 C ATOM 2488 OE1 GLU A 158 1.548 -18.124 -4.645 1.00 0.00 O ATOM 2489 OE2 GLU A 158 1.193 -16.224 -3.613 1.00 0.00 O ATOM 0 H GLU A 158 4.445 -13.319 -6.238 1.00 0.00 H new ATOM 0 HA GLU A 158 5.264 -16.170 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 158 2.526 -14.966 -6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 158 2.751 -16.544 -6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 158 3.985 -17.285 -4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 158 3.651 -15.726 -4.077 1.00 0.00 H new ATOM 2496 N SER A 159 5.087 -15.881 -9.123 1.00 0.00 N ATOM 2497 CA SER A 159 5.194 -15.691 -10.597 1.00 0.00 C ATOM 2498 C SER A 159 3.962 -16.248 -11.402 1.00 0.00 C ATOM 2499 O SER A 159 3.178 -17.006 -10.819 1.00 0.00 O ATOM 2500 CB SER A 159 6.518 -16.391 -11.007 1.00 0.00 C ATOM 2501 OG SER A 159 7.651 -15.695 -10.493 1.00 0.00 O ATOM 0 H SER A 159 5.569 -16.715 -8.789 1.00 0.00 H new ATOM 0 HA SER A 159 5.196 -14.629 -10.840 1.00 0.00 H new ATOM 0 HB2 SER A 159 6.520 -17.416 -10.637 1.00 0.00 H new ATOM 0 HB3 SER A 159 6.583 -16.444 -12.094 1.00 0.00 H new ATOM 0 HG SER A 159 8.471 -16.158 -10.765 1.00 0.00 H new ATOM 2507 N PRO A 160 3.741 -15.936 -12.723 1.00 0.00 N ATOM 2508 CA PRO A 160 2.576 -16.434 -13.508 1.00 0.00 C ATOM 2509 C PRO A 160 2.587 -17.973 -13.731 1.00 0.00 C ATOM 2510 O PRO A 160 3.417 -18.504 -14.477 1.00 0.00 O ATOM 2511 CB PRO A 160 2.634 -15.609 -14.811 1.00 0.00 C ATOM 2512 CG PRO A 160 4.077 -15.122 -14.930 1.00 0.00 C ATOM 2513 CD PRO A 160 4.531 -14.948 -13.482 1.00 0.00 C ATOM 0 HA PRO A 160 1.632 -16.296 -12.981 1.00 0.00 H new ATOM 0 HB2 PRO A 160 2.354 -16.217 -15.672 1.00 0.00 H new ATOM 0 HB3 PRO A 160 1.940 -14.770 -14.774 1.00 0.00 H new ATOM 0 HG2 PRO A 160 4.699 -15.844 -15.459 1.00 0.00 H new ATOM 0 HG3 PRO A 160 4.137 -14.184 -15.482 1.00 0.00 H new ATOM 0 HD2 PRO A 160 5.600 -15.131 -13.377 1.00 0.00 H new ATOM 0 HD3 PRO A 160 4.345 -13.934 -13.127 1.00 0.00 H new ATOM 2521 N GLY A 161 1.682 -18.663 -13.018 1.00 0.00 N ATOM 2522 CA GLY A 161 1.783 -20.122 -12.807 1.00 0.00 C ATOM 2523 C GLY A 161 1.354 -20.525 -11.384 1.00 0.00 C ATOM 2524 O GLY A 161 0.422 -21.315 -11.217 1.00 0.00 O ATOM 0 H GLY A 161 0.869 -18.235 -12.576 1.00 0.00 H new ATOM 0 HA2 GLY A 161 1.158 -20.639 -13.535 1.00 0.00 H new ATOM 0 HA3 GLY A 161 2.809 -20.444 -12.982 1.00 0.00 H new ATOM 2528 N THR A 162 2.065 -19.989 -10.376 1.00 0.00 N ATOM 2529 CA THR A 162 1.811 -20.262 -8.938 1.00 0.00 C ATOM 2530 C THR A 162 0.830 -19.281 -8.222 1.00 0.00 C ATOM 2531 O THR A 162 0.189 -19.706 -7.254 1.00 0.00 O ATOM 2532 CB THR A 162 3.173 -20.442 -8.201 1.00 0.00 C ATOM 2533 OG1 THR A 162 2.950 -20.855 -6.855 1.00 0.00 O ATOM 2534 CG2 THR A 162 4.127 -19.232 -8.183 1.00 0.00 C ATOM 0 H THR A 162 2.842 -19.346 -10.532 1.00 0.00 H new ATOM 0 HA THR A 162 1.253 -21.197 -8.889 1.00 0.00 H new ATOM 0 HB THR A 162 3.682 -21.198 -8.799 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.811 -20.967 -6.400 1.00 0.00 H new ATOM 0 HG21 THR A 162 5.035 -19.493 -7.639 1.00 0.00 H new ATOM 0 HG22 THR A 162 4.383 -18.955 -9.206 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.638 -18.391 -7.691 1.00 0.00 H new ATOM 2542 N TYR A 163 0.713 -18.005 -8.648 1.00 0.00 N ATOM 2543 CA TYR A 163 -0.081 -16.982 -7.921 1.00 0.00 C ATOM 2544 C TYR A 163 -1.623 -17.182 -8.050 1.00 0.00 C ATOM 2545 O TYR A 163 -2.116 -17.573 -9.113 1.00 0.00 O ATOM 2546 CB TYR A 163 0.402 -15.549 -8.306 1.00 0.00 C ATOM 2547 CG TYR A 163 -0.229 -14.847 -9.521 1.00 0.00 C ATOM 2548 CD1 TYR A 163 0.050 -15.273 -10.822 1.00 0.00 C ATOM 2549 CD2 TYR A 163 -1.106 -13.778 -9.323 1.00 0.00 C ATOM 2550 CE1 TYR A 163 -0.535 -14.628 -11.909 1.00 0.00 C ATOM 2551 CE2 TYR A 163 -1.673 -13.118 -10.410 1.00 0.00 C ATOM 2552 CZ TYR A 163 -1.386 -13.545 -11.705 1.00 0.00 C ATOM 2553 OH TYR A 163 -1.936 -12.894 -12.778 1.00 0.00 O ATOM 0 H TYR A 163 1.159 -17.654 -9.495 1.00 0.00 H new ATOM 0 HA TYR A 163 0.107 -17.114 -6.855 1.00 0.00 H new ATOM 0 HB2 TYR A 163 0.248 -14.907 -7.439 1.00 0.00 H new ATOM 0 HB3 TYR A 163 1.477 -15.600 -8.478 1.00 0.00 H new ATOM 0 HD1 TYR A 163 0.720 -16.104 -10.985 1.00 0.00 H new ATOM 0 HD2 TYR A 163 -1.346 -13.461 -8.319 1.00 0.00 H new ATOM 0 HE1 TYR A 163 -0.328 -14.969 -12.913 1.00 0.00 H new ATOM 0 HE2 TYR A 163 -2.333 -12.278 -10.250 1.00 0.00 H new ATOM 0 HH TYR A 163 -2.506 -12.163 -12.460 1.00 0.00 H new