USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 806 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 113 SER OG : rot 180:sc= 0.0822 USER MOD Set 1.2: A 115 SER OG : rot 95:sc= 0.0827 USER MOD Set 2.1: A 58 MET CE :methyl -164:sc= -0.585 (180deg=-1.58) USER MOD Set 2.2: A 100 THR OG1 : rot 180:sc= -0.21 USER MOD Set 3.1: A 70 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Set 3.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 62 GLN : amide:sc= -0.287 K(o=0.94,f=-0.67) USER MOD Set 4.2: A 68 SER OG : rot -28:sc= 1.23 USER MOD Set 5.1: A 40 SER OG : rot 151:sc= 0.0416 USER MOD Set 5.2: A 47 GLN : amide:sc= 0.0923 K(o=0.13,f=-2.4!) USER MOD Set 5.3: A 98 THR OG1 : rot -100:sc= 0 USER MOD Single : A 27 SER OG : rot 59:sc= 1.01 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 154:sc= -1.73! USER MOD Single : A 41 ASN : amide:sc= -0.325 K(o=-0.32,f=-2.5!) USER MOD Single : A 42 SER OG : rot -161:sc= 1.24 USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= -0.145 (180deg=-0.911) USER MOD Single : A 45 GLN : amide:sc= 1.11 K(o=1.1,f=-0.73) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -0.451 K(o=-0.45,f=-1.7!) USER MOD Single : A 61 SER OG : rot 110:sc= -0.911 USER MOD Single : A 63 SER OG : rot 170:sc= 0.408 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0974 USER MOD Single : A 76 GLN : amide:sc= 1.16 K(o=1.2,f=-0.7) USER MOD Single : A 78 SER OG : rot -95:sc= 1.24 USER MOD Single : A 79 LYS NZ :NH3+ -114:sc= 0.00319 (180deg=-0.685) USER MOD Single : A 82 GLN : amide:sc= -0.0842 K(o=-0.084,f=-0.84) USER MOD Single : A 85 ASN : amide:sc= -0.0284 K(o=-0.028,f=-1.1) USER MOD Single : A 97 LYS NZ :NH3+ -130:sc= 0.0359 (180deg=-0.0259) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.01) USER MOD Single : A 103 SER OG : rot 180:sc= -0.368 USER MOD Single : A 104 SER OG : rot -93:sc= 1.23 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.28 K(o=-1.3,f=-5.8!) USER MOD Single : A 116 ASN : amide:sc= -0.694 K(o=-0.69,f=-0.039) USER MOD Single : A 118 SER OG : rot -170:sc= -0.474 USER MOD Single : A 119 HIS : no HE2:sc= -0.334 K(o=-0.33,f=-1.3) USER MOD Single : A 120 SER OG : rot 166:sc= 0.124 USER MOD Single : A 122 ASN : amide:sc= -0.438 K(o=-0.44,f=-6.5!) USER MOD Single : A 124 MET CE :methyl -156:sc= -0.199 (180deg=-0.934) USER MOD Single : A 126 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-2.4!) USER MOD Single : A 127 SER OG : rot -160:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 25 -6.769 0.307 15.543 1.00 0.00 N ATOM 2 CA ARG A 25 -7.247 -0.235 14.252 1.00 0.00 C ATOM 3 C ARG A 25 -6.089 -0.306 13.270 1.00 0.00 C ATOM 4 O ARG A 25 -5.127 0.454 13.383 1.00 0.00 O ATOM 5 CB ARG A 25 -8.333 0.660 13.652 1.00 0.00 C ATOM 6 CG ARG A 25 -9.333 1.205 14.652 1.00 0.00 C ATOM 7 CD ARG A 25 -10.276 2.190 13.987 1.00 0.00 C ATOM 8 NE ARG A 25 -10.893 3.093 14.952 1.00 0.00 N ATOM 9 CZ ARG A 25 -10.625 4.393 15.006 1.00 0.00 C ATOM 10 NH1 ARG A 25 -9.776 4.926 14.143 1.00 0.00 N ATOM 11 NH2 ARG A 25 -11.203 5.168 15.908 1.00 0.00 N ATOM 0 HA ARG A 25 -7.659 -1.228 14.434 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.854 1.498 13.145 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.872 0.094 12.893 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.904 0.384 15.087 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.806 1.695 15.471 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.729 2.771 13.245 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.054 1.644 13.453 1.00 0.00 H new ATOM 0 HE ARG A 25 -11.563 2.708 15.618 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.329 4.339 13.439 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.568 5.924 14.182 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.864 4.769 16.574 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.987 6.165 15.938 1.00 0.00 H new ATOM 23 N LEU A 26 -6.181 -1.216 12.313 1.00 0.00 N ATOM 24 CA LEU A 26 -5.195 -1.296 11.244 1.00 0.00 C ATOM 25 C LEU A 26 -5.696 -0.520 10.028 1.00 0.00 C ATOM 26 O LEU A 26 -5.906 -1.081 8.956 1.00 0.00 O ATOM 27 CB LEU A 26 -4.897 -2.757 10.855 1.00 0.00 C ATOM 28 CG LEU A 26 -3.968 -3.547 11.795 1.00 0.00 C ATOM 29 CD1 LEU A 26 -2.602 -2.883 11.902 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.590 -3.714 13.172 1.00 0.00 C ATOM 0 H LEU A 26 -6.927 -1.909 12.254 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.266 -0.855 11.604 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.845 -3.291 10.786 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.456 -2.761 9.858 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.832 -4.538 11.363 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.967 -3.463 12.572 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.141 -2.837 10.915 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.718 -1.873 12.295 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.910 -4.276 13.813 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.774 -2.733 13.610 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.533 -4.253 13.082 1.00 0.00 H new ATOM 42 N SER A 27 -5.912 0.770 10.216 1.00 0.00 N ATOM 43 CA SER A 27 -6.376 1.635 9.146 1.00 0.00 C ATOM 44 C SER A 27 -5.506 2.884 9.072 1.00 0.00 C ATOM 45 O SER A 27 -5.039 3.375 10.098 1.00 0.00 O ATOM 46 CB SER A 27 -7.846 2.000 9.373 1.00 0.00 C ATOM 47 OG SER A 27 -8.200 1.869 10.740 1.00 0.00 O ATOM 0 H SER A 27 -5.772 1.245 11.108 1.00 0.00 H new ATOM 0 HA SER A 27 -6.297 1.109 8.194 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.024 3.024 9.045 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.482 1.355 8.766 1.00 0.00 H new ATOM 0 HG SER A 27 -7.634 2.457 11.282 1.00 0.00 H new ATOM 53 N TRP A 28 -5.288 3.401 7.865 1.00 0.00 N ATOM 54 CA TRP A 28 -4.361 4.518 7.681 1.00 0.00 C ATOM 55 C TRP A 28 -4.953 5.857 8.135 1.00 0.00 C ATOM 56 O TRP A 28 -4.482 6.922 7.737 1.00 0.00 O ATOM 57 CB TRP A 28 -3.864 4.600 6.224 1.00 0.00 C ATOM 58 CG TRP A 28 -4.927 4.795 5.176 1.00 0.00 C ATOM 59 CD1 TRP A 28 -6.131 5.429 5.309 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.852 4.371 3.809 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.809 5.414 4.114 1.00 0.00 N ATOM 62 CE2 TRP A 28 -6.043 4.774 3.177 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.890 3.690 3.059 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.297 4.516 1.833 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.145 3.433 1.724 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.338 3.848 1.123 1.00 0.00 C ATOM 0 H TRP A 28 -5.734 3.071 7.009 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.504 4.317 8.324 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.152 5.422 6.149 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.319 3.685 5.995 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.496 5.877 6.221 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.733 5.815 3.951 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.964 3.370 3.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.219 4.832 1.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.411 2.903 1.136 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.505 3.637 0.077 1.00 0.00 H new ATOM 77 N TYR A 29 -5.982 5.797 8.971 1.00 0.00 N ATOM 78 CA TYR A 29 -6.551 6.992 9.575 1.00 0.00 C ATOM 79 C TYR A 29 -6.193 7.049 11.054 1.00 0.00 C ATOM 80 O TYR A 29 -6.522 8.007 11.751 1.00 0.00 O ATOM 81 CB TYR A 29 -8.071 7.030 9.400 1.00 0.00 C ATOM 82 CG TYR A 29 -8.512 7.229 7.965 1.00 0.00 C ATOM 83 CD1 TYR A 29 -8.347 8.458 7.334 1.00 0.00 C ATOM 84 CD2 TYR A 29 -9.092 6.194 7.239 1.00 0.00 C ATOM 85 CE1 TYR A 29 -8.743 8.648 6.024 1.00 0.00 C ATOM 86 CE2 TYR A 29 -9.490 6.378 5.928 1.00 0.00 C ATOM 87 CZ TYR A 29 -9.316 7.607 5.324 1.00 0.00 C ATOM 88 OH TYR A 29 -9.712 7.796 4.018 1.00 0.00 O ATOM 0 H TYR A 29 -6.440 4.928 9.246 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.131 7.861 9.069 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.495 6.099 9.776 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.479 7.835 10.011 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.902 9.278 7.878 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.234 5.231 7.707 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.604 9.608 5.550 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.936 5.563 5.378 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.095 6.964 3.669 1.00 0.00 H new ATOM 98 N ASP A 30 -5.508 6.013 11.520 1.00 0.00 N ATOM 99 CA ASP A 30 -5.073 5.939 12.908 1.00 0.00 C ATOM 100 C ASP A 30 -3.643 6.432 13.042 1.00 0.00 C ATOM 101 O ASP A 30 -2.807 6.184 12.172 1.00 0.00 O ATOM 102 CB ASP A 30 -5.160 4.503 13.428 1.00 0.00 C ATOM 103 CG ASP A 30 -6.577 3.984 13.480 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.237 4.167 14.527 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.033 3.388 12.489 1.00 0.00 O ATOM 0 H ASP A 30 -5.241 5.208 10.953 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.733 6.573 13.499 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.563 3.853 12.788 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.724 4.456 14.426 1.00 0.00 H new ATOM 110 N PRO A 31 -3.340 7.126 14.145 1.00 0.00 N ATOM 111 CA PRO A 31 -1.999 7.647 14.410 1.00 0.00 C ATOM 112 C PRO A 31 -1.044 6.552 14.877 1.00 0.00 C ATOM 113 O PRO A 31 0.153 6.784 15.051 1.00 0.00 O ATOM 114 CB PRO A 31 -2.237 8.662 15.526 1.00 0.00 C ATOM 115 CG PRO A 31 -3.423 8.138 16.256 1.00 0.00 C ATOM 116 CD PRO A 31 -4.287 7.464 15.223 1.00 0.00 C ATOM 0 HA PRO A 31 -1.534 8.072 13.520 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.370 8.742 16.182 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.426 9.658 15.124 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.123 7.434 17.032 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.964 8.945 16.750 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.771 6.574 15.625 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.078 8.125 14.869 1.00 0.00 H new ATOM 124 N ASP A 32 -1.590 5.362 15.098 1.00 0.00 N ATOM 125 CA ASP A 32 -0.791 4.217 15.523 1.00 0.00 C ATOM 126 C ASP A 32 -0.563 3.264 14.359 1.00 0.00 C ATOM 127 O ASP A 32 0.012 2.190 14.530 1.00 0.00 O ATOM 128 CB ASP A 32 -1.476 3.452 16.659 1.00 0.00 C ATOM 129 CG ASP A 32 -1.770 4.315 17.866 1.00 0.00 C ATOM 130 OD1 ASP A 32 -0.821 4.664 18.601 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.953 4.641 18.091 1.00 0.00 O ATOM 0 H ASP A 32 -2.585 5.164 14.990 1.00 0.00 H new ATOM 0 HA ASP A 32 0.164 4.603 15.878 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.408 3.025 16.290 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.841 2.619 16.962 1.00 0.00 H new ATOM 136 N PHE A 33 -1.024 3.656 13.178 1.00 0.00 N ATOM 137 CA PHE A 33 -0.936 2.802 12.004 1.00 0.00 C ATOM 138 C PHE A 33 0.515 2.653 11.561 1.00 0.00 C ATOM 139 O PHE A 33 1.179 3.630 11.218 1.00 0.00 O ATOM 140 CB PHE A 33 -1.798 3.369 10.872 1.00 0.00 C ATOM 141 CG PHE A 33 -1.799 2.532 9.623 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.299 1.238 9.634 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.309 3.046 8.432 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.306 0.475 8.484 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.319 2.287 7.278 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.816 1.000 7.306 1.00 0.00 C ATOM 0 H PHE A 33 -1.463 4.561 13.009 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.314 1.812 12.260 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.823 3.473 11.228 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.443 4.370 10.626 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.687 0.823 10.553 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.915 4.051 8.406 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.695 -0.532 8.506 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.939 2.700 6.355 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.821 0.404 6.406 1.00 0.00 H new ATOM 156 N GLN A 34 1.000 1.422 11.581 1.00 0.00 N ATOM 157 CA GLN A 34 2.390 1.137 11.266 1.00 0.00 C ATOM 158 C GLN A 34 2.530 0.679 9.821 1.00 0.00 C ATOM 159 O GLN A 34 2.212 -0.463 9.483 1.00 0.00 O ATOM 160 CB GLN A 34 2.928 0.071 12.224 1.00 0.00 C ATOM 161 CG GLN A 34 2.954 0.529 13.673 1.00 0.00 C ATOM 162 CD GLN A 34 3.135 -0.613 14.648 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.259 -0.982 14.994 1.00 0.00 O ATOM 164 NE2 GLN A 34 2.028 -1.172 15.109 1.00 0.00 N ATOM 0 H GLN A 34 0.446 0.598 11.814 1.00 0.00 H new ATOM 0 HA GLN A 34 2.974 2.049 11.388 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.312 -0.825 12.144 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.937 -0.207 11.919 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.763 1.247 13.807 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.024 1.051 13.901 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.118 -0.835 14.796 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.085 -1.940 15.778 1.00 0.00 H new ATOM 173 N ALA A 35 2.986 1.585 8.971 1.00 0.00 N ATOM 174 CA ALA A 35 3.187 1.279 7.565 1.00 0.00 C ATOM 175 C ALA A 35 4.428 1.979 7.040 1.00 0.00 C ATOM 176 O ALA A 35 4.917 2.930 7.650 1.00 0.00 O ATOM 177 CB ALA A 35 1.971 1.689 6.749 1.00 0.00 C ATOM 0 H ALA A 35 3.225 2.542 9.232 1.00 0.00 H new ATOM 0 HA ALA A 35 3.325 0.202 7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.141 1.452 5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.094 1.149 7.106 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.805 2.761 6.857 1.00 0.00 H new ATOM 183 N ARG A 36 4.929 1.508 5.912 1.00 0.00 N ATOM 184 CA ARG A 36 6.107 2.085 5.295 1.00 0.00 C ATOM 185 C ARG A 36 6.103 1.813 3.803 1.00 0.00 C ATOM 186 O ARG A 36 5.234 1.112 3.288 1.00 0.00 O ATOM 187 CB ARG A 36 7.382 1.493 5.900 1.00 0.00 C ATOM 188 CG ARG A 36 7.513 -0.010 5.696 1.00 0.00 C ATOM 189 CD ARG A 36 8.959 -0.461 5.814 1.00 0.00 C ATOM 190 NE ARG A 36 9.613 0.076 7.007 1.00 0.00 N ATOM 191 CZ ARG A 36 10.872 0.494 7.031 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.614 0.432 5.931 1.00 0.00 N ATOM 193 NH2 ARG A 36 11.396 0.970 8.147 1.00 0.00 N ATOM 0 H ARG A 36 4.532 0.719 5.401 1.00 0.00 H new ATOM 0 HA ARG A 36 6.087 3.160 5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.247 1.988 5.459 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.402 1.709 6.968 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.906 -0.533 6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.125 -0.281 4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.996 -1.550 5.841 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.509 -0.145 4.928 1.00 0.00 H new ATOM 0 HE ARG A 36 9.071 0.132 7.869 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.216 0.063 5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.582 0.753 5.950 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.832 1.017 8.996 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.364 1.290 8.160 1.00 0.00 H new ATOM 206 N LEU A 37 7.074 2.380 3.121 1.00 0.00 N ATOM 207 CA LEU A 37 7.329 2.056 1.735 1.00 0.00 C ATOM 208 C LEU A 37 8.650 1.316 1.668 1.00 0.00 C ATOM 209 O LEU A 37 9.644 1.764 2.249 1.00 0.00 O ATOM 210 CB LEU A 37 7.370 3.329 0.889 1.00 0.00 C ATOM 211 CG LEU A 37 6.123 4.211 1.000 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.315 5.504 0.231 1.00 0.00 C ATOM 213 CD2 LEU A 37 4.899 3.470 0.486 1.00 0.00 C ATOM 0 H LEU A 37 7.708 3.077 3.511 1.00 0.00 H new ATOM 0 HA LEU A 37 6.532 1.428 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.241 3.916 1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.510 3.051 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 37 5.967 4.452 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.419 6.118 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.169 6.046 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.496 5.279 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.022 4.112 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.049 3.200 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.747 2.566 1.076 1.00 0.00 H new ATOM 225 N THR A 38 8.653 0.167 1.013 1.00 0.00 N ATOM 226 CA THR A 38 9.840 -0.667 0.953 1.00 0.00 C ATOM 227 C THR A 38 10.967 0.057 0.231 1.00 0.00 C ATOM 228 O THR A 38 10.696 0.918 -0.610 1.00 0.00 O ATOM 229 CB THR A 38 9.545 -2.008 0.253 1.00 0.00 C ATOM 230 OG1 THR A 38 8.961 -1.776 -1.036 1.00 0.00 O ATOM 231 CG2 THR A 38 8.605 -2.860 1.093 1.00 0.00 C ATOM 0 H THR A 38 7.846 -0.209 0.515 1.00 0.00 H new ATOM 0 HA THR A 38 10.150 -0.875 1.977 1.00 0.00 H new ATOM 0 HB THR A 38 10.488 -2.542 0.132 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.153 -2.536 -1.624 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.411 -3.802 0.580 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.064 -3.062 2.061 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.666 -2.327 1.241 1.00 0.00 H new ATOM 239 N ARG A 39 12.217 -0.267 0.572 1.00 0.00 N ATOM 240 CA ARG A 39 13.372 0.434 0.005 1.00 0.00 C ATOM 241 C ARG A 39 13.251 0.578 -1.509 1.00 0.00 C ATOM 242 O ARG A 39 13.505 1.658 -2.040 1.00 0.00 O ATOM 243 CB ARG A 39 14.693 -0.250 0.390 1.00 0.00 C ATOM 244 CG ARG A 39 14.629 -1.767 0.446 1.00 0.00 C ATOM 245 CD ARG A 39 15.963 -2.358 0.879 1.00 0.00 C ATOM 246 NE ARG A 39 16.515 -1.670 2.052 1.00 0.00 N ATOM 247 CZ ARG A 39 16.561 -2.194 3.273 1.00 0.00 C ATOM 248 NH1 ARG A 39 16.031 -3.385 3.508 1.00 0.00 N ATOM 249 NH2 ARG A 39 17.115 -1.519 4.268 1.00 0.00 N ATOM 0 H ARG A 39 12.454 -1.006 1.234 1.00 0.00 H new ATOM 0 HA ARG A 39 13.382 1.436 0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.460 0.042 -0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.009 0.123 1.364 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.849 -2.075 1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.356 -2.159 -0.534 1.00 0.00 H new ATOM 0 HD2 ARG A 39 15.834 -3.416 1.107 1.00 0.00 H new ATOM 0 HD3 ARG A 39 16.673 -2.294 0.054 1.00 0.00 H new ATOM 0 HE ARG A 39 16.887 -0.729 1.922 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.586 -3.903 2.751 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.068 -3.784 4.446 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.509 -0.593 4.099 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.148 -1.925 5.203 1.00 0.00 H new ATOM 262 N SER A 40 12.846 -0.513 -2.171 1.00 0.00 N ATOM 263 CA SER A 40 12.496 -0.514 -3.596 1.00 0.00 C ATOM 264 C SER A 40 13.485 0.288 -4.443 1.00 0.00 C ATOM 265 O SER A 40 14.524 -0.228 -4.858 1.00 0.00 O ATOM 266 CB SER A 40 11.075 0.032 -3.775 1.00 0.00 C ATOM 267 OG SER A 40 10.615 -0.144 -5.103 1.00 0.00 O ATOM 0 H SER A 40 12.751 -1.427 -1.729 1.00 0.00 H new ATOM 0 HA SER A 40 12.545 -1.545 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.400 -0.474 -3.085 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.056 1.092 -3.520 1.00 0.00 H new ATOM 0 HG SER A 40 9.639 -0.232 -5.102 1.00 0.00 H new ATOM 273 N ASN A 41 13.149 1.548 -4.693 1.00 0.00 N ATOM 274 CA ASN A 41 14.020 2.460 -5.414 1.00 0.00 C ATOM 275 C ASN A 41 14.454 3.581 -4.474 1.00 0.00 C ATOM 276 O ASN A 41 15.649 3.837 -4.302 1.00 0.00 O ATOM 277 CB ASN A 41 13.288 3.028 -6.638 1.00 0.00 C ATOM 278 CG ASN A 41 14.189 3.838 -7.559 1.00 0.00 C ATOM 279 OD1 ASN A 41 15.143 4.478 -7.125 1.00 0.00 O ATOM 280 ND2 ASN A 41 13.888 3.811 -8.848 1.00 0.00 N ATOM 0 H ASN A 41 12.265 1.963 -4.400 1.00 0.00 H new ATOM 0 HA ASN A 41 14.904 1.928 -5.766 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.848 2.206 -7.203 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.466 3.658 -6.300 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.456 4.333 -9.515 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.088 3.268 -9.174 1.00 0.00 H new ATOM 287 N SER A 42 13.478 4.223 -3.844 1.00 0.00 N ATOM 288 CA SER A 42 13.750 5.282 -2.889 1.00 0.00 C ATOM 289 C SER A 42 12.764 5.183 -1.722 1.00 0.00 C ATOM 290 O SER A 42 11.949 4.264 -1.684 1.00 0.00 O ATOM 291 CB SER A 42 13.660 6.649 -3.575 1.00 0.00 C ATOM 292 OG SER A 42 14.240 7.668 -2.777 1.00 0.00 O ATOM 0 H SER A 42 12.487 4.025 -3.981 1.00 0.00 H new ATOM 0 HA SER A 42 14.762 5.171 -2.499 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.166 6.608 -4.539 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.616 6.890 -3.773 1.00 0.00 H new ATOM 0 HG SER A 42 13.914 8.543 -3.076 1.00 0.00 H new ATOM 298 N LYS A 43 12.826 6.121 -0.788 1.00 0.00 N ATOM 299 CA LYS A 43 12.039 6.024 0.440 1.00 0.00 C ATOM 300 C LYS A 43 10.560 6.297 0.197 1.00 0.00 C ATOM 301 O LYS A 43 9.727 5.410 0.361 1.00 0.00 O ATOM 302 CB LYS A 43 12.574 6.980 1.512 1.00 0.00 C ATOM 303 CG LYS A 43 13.942 6.606 2.074 1.00 0.00 C ATOM 304 CD LYS A 43 13.922 5.276 2.826 1.00 0.00 C ATOM 305 CE LYS A 43 14.045 4.082 1.887 1.00 0.00 C ATOM 306 NZ LYS A 43 15.283 4.160 1.066 1.00 0.00 N ATOM 0 H LYS A 43 13.409 6.955 -0.853 1.00 0.00 H new ATOM 0 HA LYS A 43 12.137 4.998 0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.632 7.983 1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.858 7.021 2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.663 6.548 1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.283 7.394 2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.740 5.255 3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.995 5.196 3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.050 3.160 2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.175 4.042 1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.527 3.212 0.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.125 4.798 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.063 4.525 1.649 1.00 0.00 H new ATOM 319 N CYS A 44 10.235 7.516 -0.206 1.00 0.00 N ATOM 320 CA CYS A 44 8.840 7.921 -0.349 1.00 0.00 C ATOM 321 C CYS A 44 8.301 7.607 -1.742 1.00 0.00 C ATOM 322 O CYS A 44 7.452 8.325 -2.274 1.00 0.00 O ATOM 323 CB CYS A 44 8.679 9.406 -0.031 1.00 0.00 C ATOM 324 SG CYS A 44 9.055 9.826 1.703 1.00 0.00 S ATOM 0 H CYS A 44 10.913 8.241 -0.440 1.00 0.00 H new ATOM 0 HA CYS A 44 8.254 7.344 0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.333 9.982 -0.686 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.656 9.708 -0.256 1.00 0.00 H new ATOM 329 N GLN A 45 8.795 6.522 -2.313 1.00 0.00 N ATOM 330 CA GLN A 45 8.319 6.027 -3.595 1.00 0.00 C ATOM 331 C GLN A 45 8.687 4.558 -3.738 1.00 0.00 C ATOM 332 O GLN A 45 9.663 4.199 -4.401 1.00 0.00 O ATOM 333 CB GLN A 45 8.874 6.860 -4.756 1.00 0.00 C ATOM 334 CG GLN A 45 10.334 7.248 -4.602 1.00 0.00 C ATOM 335 CD GLN A 45 10.864 8.008 -5.801 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.435 7.786 -6.933 1.00 0.00 O ATOM 337 NE2 GLN A 45 11.790 8.923 -5.562 1.00 0.00 N ATOM 0 H GLN A 45 9.538 5.958 -1.901 1.00 0.00 H new ATOM 0 HA GLN A 45 7.234 6.123 -3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.755 6.297 -5.682 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.277 7.767 -4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.451 7.860 -3.708 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.932 6.349 -4.453 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.120 9.078 -4.609 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.173 9.473 -6.330 1.00 0.00 H new ATOM 346 N GLY A 46 7.900 3.719 -3.086 1.00 0.00 N ATOM 347 CA GLY A 46 8.162 2.299 -3.074 1.00 0.00 C ATOM 348 C GLY A 46 6.899 1.503 -2.842 1.00 0.00 C ATOM 349 O GLY A 46 5.801 2.065 -2.845 1.00 0.00 O ATOM 0 H GLY A 46 7.074 4.002 -2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.610 2.003 -4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.887 2.069 -2.293 1.00 0.00 H new ATOM 353 N GLN A 47 7.049 0.204 -2.630 1.00 0.00 N ATOM 354 CA GLN A 47 5.907 -0.671 -2.426 1.00 0.00 C ATOM 355 C GLN A 47 5.321 -0.443 -1.040 1.00 0.00 C ATOM 356 O GLN A 47 6.055 -0.373 -0.053 1.00 0.00 O ATOM 357 CB GLN A 47 6.295 -2.147 -2.596 1.00 0.00 C ATOM 358 CG GLN A 47 6.645 -2.551 -4.025 1.00 0.00 C ATOM 359 CD GLN A 47 7.924 -1.917 -4.541 1.00 0.00 C ATOM 360 OE1 GLN A 47 7.907 -0.846 -5.147 1.00 0.00 O ATOM 361 NE2 GLN A 47 9.047 -2.572 -4.299 1.00 0.00 N ATOM 0 H GLN A 47 7.953 -0.267 -2.595 1.00 0.00 H new ATOM 0 HA GLN A 47 5.159 -0.431 -3.181 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.148 -2.361 -1.952 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.470 -2.768 -2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.742 -3.636 -4.073 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.821 -2.275 -4.684 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.022 -3.458 -3.793 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.938 -2.192 -4.618 1.00 0.00 H new ATOM 370 N LEU A 48 4.004 -0.312 -0.973 1.00 0.00 N ATOM 371 CA LEU A 48 3.331 -0.061 0.292 1.00 0.00 C ATOM 372 C LEU A 48 3.393 -1.299 1.174 1.00 0.00 C ATOM 373 O LEU A 48 2.774 -2.318 0.873 1.00 0.00 O ATOM 374 CB LEU A 48 1.873 0.353 0.064 1.00 0.00 C ATOM 375 CG LEU A 48 1.088 0.707 1.333 1.00 0.00 C ATOM 376 CD1 LEU A 48 1.707 1.902 2.044 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.365 0.994 0.994 1.00 0.00 C ATOM 0 H LEU A 48 3.382 -0.375 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 48 3.844 0.759 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.857 1.213 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.357 -0.459 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 48 1.132 -0.150 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.130 2.131 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.734 1.667 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.701 2.765 1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.909 1.244 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.418 1.832 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.812 0.113 0.534 1.00 0.00 H new ATOM 389 N GLU A 49 4.152 -1.203 2.250 1.00 0.00 N ATOM 390 CA GLU A 49 4.306 -2.304 3.178 1.00 0.00 C ATOM 391 C GLU A 49 3.643 -1.947 4.495 1.00 0.00 C ATOM 392 O GLU A 49 3.915 -0.894 5.070 1.00 0.00 O ATOM 393 CB GLU A 49 5.786 -2.614 3.401 1.00 0.00 C ATOM 394 CG GLU A 49 6.031 -3.909 4.157 1.00 0.00 C ATOM 395 CD GLU A 49 7.505 -4.178 4.383 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.135 -3.439 5.168 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.042 -5.124 3.772 1.00 0.00 O ATOM 0 H GLU A 49 4.675 -0.365 2.503 1.00 0.00 H new ATOM 0 HA GLU A 49 3.830 -3.191 2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.287 -2.668 2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.242 -1.791 3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.521 -3.866 5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.594 -4.739 3.601 1.00 0.00 H new ATOM 404 N VAL A 50 2.766 -2.814 4.963 1.00 0.00 N ATOM 405 CA VAL A 50 2.036 -2.552 6.191 1.00 0.00 C ATOM 406 C VAL A 50 2.343 -3.606 7.243 1.00 0.00 C ATOM 407 O VAL A 50 2.586 -4.774 6.923 1.00 0.00 O ATOM 408 CB VAL A 50 0.508 -2.471 5.953 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.171 -1.295 5.049 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.027 -3.764 5.357 1.00 0.00 C ATOM 0 H VAL A 50 2.541 -3.702 4.515 1.00 0.00 H new ATOM 0 HA VAL A 50 2.370 -1.580 6.555 1.00 0.00 H new ATOM 0 HB VAL A 50 0.028 -2.321 6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.907 -1.254 4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.506 -0.369 5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.672 -1.419 4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.102 -3.676 5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.463 -3.955 4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.174 -4.590 6.039 1.00 0.00 H new ATOM 420 N TYR A 51 2.360 -3.178 8.495 1.00 0.00 N ATOM 421 CA TYR A 51 2.636 -4.069 9.609 1.00 0.00 C ATOM 422 C TYR A 51 1.337 -4.616 10.173 1.00 0.00 C ATOM 423 O TYR A 51 0.566 -3.893 10.803 1.00 0.00 O ATOM 424 CB TYR A 51 3.425 -3.326 10.696 1.00 0.00 C ATOM 425 CG TYR A 51 3.683 -4.133 11.955 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.505 -5.257 11.944 1.00 0.00 C ATOM 427 CD2 TYR A 51 3.110 -3.756 13.163 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.741 -5.978 13.101 1.00 0.00 C ATOM 429 CE2 TYR A 51 3.342 -4.472 14.320 1.00 0.00 C ATOM 430 CZ TYR A 51 4.156 -5.581 14.285 1.00 0.00 C ATOM 431 OH TYR A 51 4.388 -6.290 15.441 1.00 0.00 O ATOM 0 H TYR A 51 2.184 -2.210 8.766 1.00 0.00 H new ATOM 0 HA TYR A 51 3.239 -4.905 9.254 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.382 -3.011 10.280 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.881 -2.421 10.966 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.965 -5.571 11.019 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.471 -2.886 13.198 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.381 -6.848 13.077 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.886 -4.163 15.249 1.00 0.00 H new ATOM 0 HH TYR A 51 3.901 -5.875 16.183 1.00 0.00 H new ATOM 441 N LEU A 52 1.094 -5.895 9.939 1.00 0.00 N ATOM 442 CA LEU A 52 -0.105 -6.534 10.441 1.00 0.00 C ATOM 443 C LEU A 52 0.197 -7.222 11.767 1.00 0.00 C ATOM 444 O LEU A 52 1.299 -7.082 12.306 1.00 0.00 O ATOM 445 CB LEU A 52 -0.682 -7.533 9.423 1.00 0.00 C ATOM 446 CG LEU A 52 -1.189 -6.920 8.112 1.00 0.00 C ATOM 447 CD1 LEU A 52 -0.066 -6.801 7.094 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.343 -7.736 7.551 1.00 0.00 C ATOM 0 H LEU A 52 1.711 -6.508 9.406 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.862 -5.767 10.602 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.087 -8.269 9.186 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.504 -8.071 9.894 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.552 -5.915 8.327 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.454 -6.363 6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.722 -6.164 7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.340 -7.790 6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.689 -7.285 6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.008 -8.755 7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.160 -7.753 8.272 1.00 0.00 H new ATOM 460 N LYS A 53 -0.757 -7.982 12.280 1.00 0.00 N ATOM 461 CA LYS A 53 -0.604 -8.615 13.583 1.00 0.00 C ATOM 462 C LYS A 53 0.391 -9.775 13.533 1.00 0.00 C ATOM 463 O LYS A 53 0.735 -10.352 14.561 1.00 0.00 O ATOM 464 CB LYS A 53 -1.966 -9.079 14.098 1.00 0.00 C ATOM 465 CG LYS A 53 -2.928 -7.927 14.347 1.00 0.00 C ATOM 466 CD LYS A 53 -4.331 -8.413 14.653 1.00 0.00 C ATOM 467 CE LYS A 53 -5.285 -7.243 14.817 1.00 0.00 C ATOM 468 NZ LYS A 53 -6.703 -7.683 14.868 1.00 0.00 N ATOM 0 H LYS A 53 -1.644 -8.176 11.816 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.198 -7.878 14.276 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.408 -9.765 13.375 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.828 -9.637 15.024 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.564 -7.324 15.179 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.952 -7.279 13.471 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.679 -9.062 13.849 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.323 -9.011 15.564 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.041 -6.701 15.731 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.151 -6.547 13.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.320 -6.853 14.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.945 -8.177 13.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.838 -8.327 15.674 1.00 0.00 H new ATOM 481 N ASP A 54 0.868 -10.097 12.338 1.00 0.00 N ATOM 482 CA ASP A 54 1.850 -11.165 12.184 1.00 0.00 C ATOM 483 C ASP A 54 3.002 -10.765 11.265 1.00 0.00 C ATOM 484 O ASP A 54 3.595 -11.613 10.600 1.00 0.00 O ATOM 485 CB ASP A 54 1.192 -12.443 11.668 1.00 0.00 C ATOM 486 CG ASP A 54 0.936 -13.442 12.775 1.00 0.00 C ATOM 487 OD1 ASP A 54 1.844 -14.248 13.071 1.00 0.00 O ATOM 488 OD2 ASP A 54 -0.173 -13.430 13.353 1.00 0.00 O ATOM 0 H ASP A 54 0.595 -9.640 11.468 1.00 0.00 H new ATOM 0 HA ASP A 54 2.265 -11.352 13.174 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.249 -12.193 11.181 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.831 -12.898 10.911 1.00 0.00 H new ATOM 493 N GLY A 55 3.326 -9.482 11.226 1.00 0.00 N ATOM 494 CA GLY A 55 4.495 -9.057 10.477 1.00 0.00 C ATOM 495 C GLY A 55 4.176 -8.127 9.322 1.00 0.00 C ATOM 496 O GLY A 55 3.034 -7.697 9.151 1.00 0.00 O ATOM 0 H GLY A 55 2.811 -8.735 11.691 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.187 -8.556 11.154 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.008 -9.938 10.091 1.00 0.00 H new ATOM 500 N TRP A 56 5.194 -7.837 8.522 1.00 0.00 N ATOM 501 CA TRP A 56 5.077 -6.897 7.414 1.00 0.00 C ATOM 502 C TRP A 56 4.700 -7.612 6.122 1.00 0.00 C ATOM 503 O TRP A 56 5.226 -8.686 5.815 1.00 0.00 O ATOM 504 CB TRP A 56 6.397 -6.140 7.214 1.00 0.00 C ATOM 505 CG TRP A 56 6.741 -5.210 8.341 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.450 -5.508 9.470 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.393 -3.823 8.444 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.563 -4.394 10.265 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.921 -3.347 9.659 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.686 -2.938 7.627 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.763 -2.026 10.073 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.528 -1.631 8.042 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.065 -1.185 9.253 1.00 0.00 C ATOM 0 H TRP A 56 6.123 -8.246 8.622 1.00 0.00 H new ATOM 0 HA TRP A 56 4.287 -6.189 7.663 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.204 -6.862 7.093 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.340 -5.568 6.288 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.862 -6.479 9.703 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.047 -4.353 11.162 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.270 -3.270 6.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.177 -1.679 11.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.979 -0.940 7.419 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.925 -0.155 9.546 1.00 0.00 H new ATOM 524 N HIS A 57 3.773 -7.021 5.380 1.00 0.00 N ATOM 525 CA HIS A 57 3.373 -7.539 4.073 1.00 0.00 C ATOM 526 C HIS A 57 3.145 -6.376 3.119 1.00 0.00 C ATOM 527 O HIS A 57 2.644 -5.326 3.530 1.00 0.00 O ATOM 528 CB HIS A 57 2.082 -8.368 4.162 1.00 0.00 C ATOM 529 CG HIS A 57 2.175 -9.594 5.023 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.443 -10.854 4.525 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.007 -9.751 6.359 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.428 -11.728 5.513 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.169 -11.086 6.637 1.00 0.00 N ATOM 0 H HIS A 57 3.278 -6.175 5.662 1.00 0.00 H new ATOM 0 HA HIS A 57 4.172 -8.185 3.710 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.285 -7.732 4.546 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.791 -8.670 3.156 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.624 -11.074 3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.787 -8.971 7.072 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.599 -12.790 5.418 1.00 0.00 H new ATOM 541 N MET A 58 3.518 -6.547 1.858 1.00 0.00 N ATOM 542 CA MET A 58 3.282 -5.513 0.858 1.00 0.00 C ATOM 543 C MET A 58 1.852 -5.596 0.334 1.00 0.00 C ATOM 544 O MET A 58 1.262 -6.679 0.262 1.00 0.00 O ATOM 545 CB MET A 58 4.268 -5.622 -0.313 1.00 0.00 C ATOM 546 CG MET A 58 5.734 -5.504 0.082 1.00 0.00 C ATOM 547 SD MET A 58 6.833 -5.450 -1.350 1.00 0.00 S ATOM 548 CE MET A 58 6.265 -6.882 -2.266 1.00 0.00 C ATOM 0 H MET A 58 3.981 -7.384 1.505 1.00 0.00 H new ATOM 0 HA MET A 58 3.436 -4.549 1.344 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.115 -6.579 -0.812 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.037 -4.843 -1.040 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.875 -4.603 0.678 1.00 0.00 H new ATOM 0 HG3 MET A 58 6.006 -6.350 0.713 1.00 0.00 H new ATOM 0 HE1 MET A 58 7.009 -7.153 -3.015 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.118 -7.717 -1.581 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.322 -6.648 -2.760 1.00 0.00 H new ATOM 558 N VAL A 59 1.298 -4.451 -0.029 1.00 0.00 N ATOM 559 CA VAL A 59 -0.071 -4.379 -0.518 1.00 0.00 C ATOM 560 C VAL A 59 -0.106 -4.517 -2.038 1.00 0.00 C ATOM 561 O VAL A 59 0.736 -3.958 -2.745 1.00 0.00 O ATOM 562 CB VAL A 59 -0.748 -3.048 -0.103 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.198 -2.995 -0.571 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.670 -2.858 1.405 1.00 0.00 C ATOM 0 H VAL A 59 1.779 -3.552 0.006 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.623 -5.204 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.209 -2.234 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.645 -2.049 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.233 -3.078 -1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.754 -3.820 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.150 -1.919 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.178 -3.684 1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.375 -2.835 1.715 1.00 0.00 H new ATOM 574 N CYS A 60 -1.069 -5.280 -2.535 1.00 0.00 N ATOM 575 CA CYS A 60 -1.242 -5.457 -3.967 1.00 0.00 C ATOM 576 C CYS A 60 -2.172 -4.375 -4.503 1.00 0.00 C ATOM 577 O CYS A 60 -3.081 -3.935 -3.798 1.00 0.00 O ATOM 578 CB CYS A 60 -1.825 -6.842 -4.256 1.00 0.00 C ATOM 579 SG CYS A 60 -1.774 -7.328 -6.010 1.00 0.00 S ATOM 0 H CYS A 60 -1.744 -5.788 -1.964 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.274 -5.376 -4.461 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.279 -7.582 -3.670 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.860 -6.866 -3.915 1.00 0.00 H new ATOM 584 N SER A 61 -1.956 -3.950 -5.745 1.00 0.00 N ATOM 585 CA SER A 61 -2.768 -2.890 -6.339 1.00 0.00 C ATOM 586 C SER A 61 -4.104 -3.443 -6.843 1.00 0.00 C ATOM 587 O SER A 61 -4.526 -3.171 -7.963 1.00 0.00 O ATOM 588 CB SER A 61 -2.000 -2.206 -7.477 1.00 0.00 C ATOM 589 OG SER A 61 -2.712 -1.092 -7.987 1.00 0.00 O ATOM 0 H SER A 61 -1.230 -4.321 -6.358 1.00 0.00 H new ATOM 0 HA SER A 61 -2.981 -2.148 -5.569 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.024 -1.881 -7.115 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.820 -2.923 -8.279 1.00 0.00 H new ATOM 0 HG SER A 61 -2.250 -0.265 -7.734 1.00 0.00 H new ATOM 595 N GLN A 62 -4.760 -4.217 -5.997 1.00 0.00 N ATOM 596 CA GLN A 62 -6.069 -4.772 -6.295 1.00 0.00 C ATOM 597 C GLN A 62 -6.760 -5.109 -4.981 1.00 0.00 C ATOM 598 O GLN A 62 -6.907 -6.273 -4.615 1.00 0.00 O ATOM 599 CB GLN A 62 -5.946 -6.018 -7.182 1.00 0.00 C ATOM 600 CG GLN A 62 -7.284 -6.570 -7.660 1.00 0.00 C ATOM 601 CD GLN A 62 -8.049 -5.603 -8.548 1.00 0.00 C ATOM 602 OE1 GLN A 62 -7.464 -4.803 -9.278 1.00 0.00 O ATOM 603 NE2 GLN A 62 -9.370 -5.675 -8.494 1.00 0.00 N ATOM 0 H GLN A 62 -4.399 -4.480 -5.080 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.661 -4.041 -6.845 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.333 -5.775 -8.050 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.420 -6.796 -6.628 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.112 -7.497 -8.207 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.897 -6.820 -6.794 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.819 -6.351 -7.876 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.939 -5.054 -9.070 1.00 0.00 H new ATOM 612 N SER A 63 -7.136 -4.077 -4.248 1.00 0.00 N ATOM 613 CA SER A 63 -7.759 -4.251 -2.951 1.00 0.00 C ATOM 614 C SER A 63 -8.863 -3.220 -2.745 1.00 0.00 C ATOM 615 O SER A 63 -8.830 -2.144 -3.350 1.00 0.00 O ATOM 616 CB SER A 63 -6.706 -4.128 -1.848 1.00 0.00 C ATOM 617 OG SER A 63 -5.773 -5.194 -1.921 1.00 0.00 O ATOM 0 H SER A 63 -7.019 -3.104 -4.532 1.00 0.00 H new ATOM 0 HA SER A 63 -8.205 -5.244 -2.907 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.185 -3.175 -1.941 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.193 -4.131 -0.873 1.00 0.00 H new ATOM 0 HG SER A 63 -5.022 -5.014 -1.317 1.00 0.00 H new ATOM 623 N TRP A 64 -9.824 -3.561 -1.888 1.00 0.00 N ATOM 624 CA TRP A 64 -10.967 -2.704 -1.584 1.00 0.00 C ATOM 625 C TRP A 64 -11.749 -2.366 -2.851 1.00 0.00 C ATOM 626 O TRP A 64 -12.605 -3.136 -3.289 1.00 0.00 O ATOM 627 CB TRP A 64 -10.519 -1.414 -0.879 1.00 0.00 C ATOM 628 CG TRP A 64 -9.641 -1.652 0.314 1.00 0.00 C ATOM 629 CD1 TRP A 64 -10.016 -2.144 1.529 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.234 -1.397 0.403 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.929 -2.213 2.366 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.825 -1.761 1.698 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.281 -0.898 -0.490 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.506 -1.639 2.122 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.973 -0.777 -0.067 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.596 -1.147 1.227 1.00 0.00 C ATOM 0 H TRP A 64 -9.831 -4.446 -1.382 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.621 -3.256 -0.909 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.985 -0.787 -1.593 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.402 -0.857 -0.564 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.021 -2.437 1.795 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.943 -2.547 3.330 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.563 -0.612 -1.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.211 -1.922 3.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.228 -0.390 -0.747 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.564 -1.042 1.527 1.00 0.00 H new ATOM 647 N GLY A 65 -11.429 -1.226 -3.442 1.00 0.00 N ATOM 648 CA GLY A 65 -12.048 -0.826 -4.689 1.00 0.00 C ATOM 649 C GLY A 65 -11.065 -0.121 -5.600 1.00 0.00 C ATOM 650 O GLY A 65 -11.441 0.763 -6.372 1.00 0.00 O ATOM 0 H GLY A 65 -10.745 -0.564 -3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.448 -1.705 -5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.891 -0.166 -4.482 1.00 0.00 H new ATOM 654 N ARG A 66 -9.800 -0.511 -5.503 1.00 0.00 N ATOM 655 CA ARG A 66 -8.737 0.116 -6.274 1.00 0.00 C ATOM 656 C ARG A 66 -8.170 -0.876 -7.280 1.00 0.00 C ATOM 657 O ARG A 66 -7.664 -1.933 -6.899 1.00 0.00 O ATOM 658 CB ARG A 66 -7.622 0.603 -5.343 1.00 0.00 C ATOM 659 CG ARG A 66 -8.109 1.532 -4.240 1.00 0.00 C ATOM 660 CD ARG A 66 -8.462 2.920 -4.764 1.00 0.00 C ATOM 661 NE ARG A 66 -7.273 3.696 -5.113 1.00 0.00 N ATOM 662 CZ ARG A 66 -7.137 4.995 -4.845 1.00 0.00 C ATOM 663 NH1 ARG A 66 -8.117 5.647 -4.238 1.00 0.00 N ATOM 664 NH2 ARG A 66 -6.030 5.641 -5.178 1.00 0.00 N ATOM 0 H ARG A 66 -9.485 -1.265 -4.892 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.151 0.972 -6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.136 -0.261 -4.890 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.867 1.120 -5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.984 1.094 -3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.337 1.620 -3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.102 2.824 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.036 3.457 -4.009 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.507 3.218 -5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.972 5.155 -3.977 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.017 6.641 -4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.271 5.145 -5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.937 6.635 -4.968 1.00 0.00 H new ATOM 677 N SER A 67 -8.276 -0.533 -8.552 1.00 0.00 N ATOM 678 CA SER A 67 -7.783 -1.384 -9.624 1.00 0.00 C ATOM 679 C SER A 67 -6.267 -1.265 -9.758 1.00 0.00 C ATOM 680 O SER A 67 -5.647 -0.389 -9.151 1.00 0.00 O ATOM 681 CB SER A 67 -8.455 -0.980 -10.934 1.00 0.00 C ATOM 682 OG SER A 67 -9.864 -0.919 -10.785 1.00 0.00 O ATOM 0 H SER A 67 -8.703 0.337 -8.871 1.00 0.00 H new ATOM 0 HA SER A 67 -8.022 -2.421 -9.390 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.078 -0.010 -11.256 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.199 -1.697 -11.714 1.00 0.00 H new ATOM 0 HG SER A 67 -10.272 -0.657 -11.637 1.00 0.00 H new ATOM 688 N SER A 68 -5.676 -2.139 -10.567 1.00 0.00 N ATOM 689 CA SER A 68 -4.234 -2.146 -10.776 1.00 0.00 C ATOM 690 C SER A 68 -3.822 -1.077 -11.786 1.00 0.00 C ATOM 691 O SER A 68 -3.088 -1.345 -12.741 1.00 0.00 O ATOM 692 CB SER A 68 -3.781 -3.528 -11.246 1.00 0.00 C ATOM 693 OG SER A 68 -4.168 -4.531 -10.321 1.00 0.00 O ATOM 0 H SER A 68 -6.178 -2.855 -11.091 1.00 0.00 H new ATOM 0 HA SER A 68 -3.748 -1.917 -9.828 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.213 -3.743 -12.223 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.698 -3.538 -11.367 1.00 0.00 H new ATOM 0 HG SER A 68 -4.223 -4.144 -9.423 1.00 0.00 H new ATOM 699 N LYS A 69 -4.306 0.132 -11.561 1.00 0.00 N ATOM 700 CA LYS A 69 -3.980 1.285 -12.383 1.00 0.00 C ATOM 701 C LYS A 69 -3.884 2.501 -11.475 1.00 0.00 C ATOM 702 O LYS A 69 -4.352 2.458 -10.336 1.00 0.00 O ATOM 703 CB LYS A 69 -5.052 1.512 -13.461 1.00 0.00 C ATOM 704 CG LYS A 69 -5.177 0.372 -14.465 1.00 0.00 C ATOM 705 CD LYS A 69 -6.229 0.669 -15.524 1.00 0.00 C ATOM 706 CE LYS A 69 -5.883 1.912 -16.328 1.00 0.00 C ATOM 707 NZ LYS A 69 -6.922 2.222 -17.346 1.00 0.00 N ATOM 0 H LYS A 69 -4.944 0.343 -10.794 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.032 1.115 -12.893 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.016 1.660 -12.974 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.822 2.432 -13.999 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.214 0.203 -14.946 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.437 -0.548 -13.941 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.320 -0.185 -16.195 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.199 0.804 -15.045 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.771 2.761 -15.654 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.922 1.769 -16.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.648 3.076 -17.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.011 1.423 -18.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.834 2.384 -16.873 1.00 0.00 H new ATOM 720 N GLN A 70 -3.263 3.567 -11.956 1.00 0.00 N ATOM 721 CA GLN A 70 -3.122 4.778 -11.164 1.00 0.00 C ATOM 722 C GLN A 70 -4.482 5.450 -10.990 1.00 0.00 C ATOM 723 O GLN A 70 -4.928 6.213 -11.851 1.00 0.00 O ATOM 724 CB GLN A 70 -2.121 5.736 -11.824 1.00 0.00 C ATOM 725 CG GLN A 70 -1.813 6.974 -10.992 1.00 0.00 C ATOM 726 CD GLN A 70 -0.711 7.826 -11.596 1.00 0.00 C ATOM 727 OE1 GLN A 70 0.194 7.319 -12.259 1.00 0.00 O ATOM 728 NE2 GLN A 70 -0.779 9.129 -11.371 1.00 0.00 N ATOM 0 H GLN A 70 -2.850 3.618 -12.887 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.738 4.513 -10.179 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.192 5.199 -12.017 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -2.515 6.049 -12.791 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.717 7.574 -10.892 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.521 6.668 -9.987 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.545 9.511 -10.816 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.066 9.750 -11.752 1.00 0.00 H new ATOM 737 N TRP A 71 -5.150 5.134 -9.885 1.00 0.00 N ATOM 738 CA TRP A 71 -6.462 5.695 -9.592 1.00 0.00 C ATOM 739 C TRP A 71 -6.331 7.190 -9.319 1.00 0.00 C ATOM 740 O TRP A 71 -5.354 7.635 -8.716 1.00 0.00 O ATOM 741 CB TRP A 71 -7.091 4.979 -8.397 1.00 0.00 C ATOM 742 CG TRP A 71 -8.566 4.757 -8.542 1.00 0.00 C ATOM 743 CD1 TRP A 71 -9.175 3.702 -9.159 1.00 0.00 C ATOM 744 CD2 TRP A 71 -9.616 5.601 -8.061 1.00 0.00 C ATOM 745 NE1 TRP A 71 -10.539 3.844 -9.096 1.00 0.00 N ATOM 746 CE2 TRP A 71 -10.835 4.999 -8.427 1.00 0.00 C ATOM 747 CE3 TRP A 71 -9.647 6.805 -7.358 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -12.068 5.562 -8.114 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -10.873 7.363 -7.048 1.00 0.00 C ATOM 750 CH2 TRP A 71 -12.067 6.741 -7.424 1.00 0.00 C ATOM 0 H TRP A 71 -4.801 4.489 -9.176 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.114 5.551 -10.454 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.598 4.016 -8.260 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -6.906 5.563 -7.495 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.659 2.877 -9.628 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.221 3.193 -9.485 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -8.730 7.292 -7.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.992 5.085 -8.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.909 8.296 -6.506 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.008 7.202 -7.164 1.00 0.00 H new ATOM 761 N GLU A 72 -7.330 7.952 -9.739 1.00 0.00 N ATOM 762 CA GLU A 72 -7.222 9.410 -9.786 1.00 0.00 C ATOM 763 C GLU A 72 -7.539 10.070 -8.443 1.00 0.00 C ATOM 764 O GLU A 72 -8.111 11.158 -8.398 1.00 0.00 O ATOM 765 CB GLU A 72 -8.141 9.961 -10.878 1.00 0.00 C ATOM 766 CG GLU A 72 -7.778 9.469 -12.269 1.00 0.00 C ATOM 767 CD GLU A 72 -8.809 9.840 -13.310 1.00 0.00 C ATOM 768 OE1 GLU A 72 -9.758 9.056 -13.518 1.00 0.00 O ATOM 769 OE2 GLU A 72 -8.670 10.912 -13.936 1.00 0.00 O ATOM 0 H GLU A 72 -8.229 7.587 -10.054 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.184 9.651 -10.017 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.170 9.677 -10.656 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.101 11.050 -10.863 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.813 9.886 -12.556 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.664 8.385 -12.248 1.00 0.00 H new ATOM 776 N ASP A 73 -7.154 9.421 -7.357 1.00 0.00 N ATOM 777 CA ASP A 73 -7.293 10.003 -6.024 1.00 0.00 C ATOM 778 C ASP A 73 -6.232 9.411 -5.103 1.00 0.00 C ATOM 779 O ASP A 73 -6.459 8.399 -4.437 1.00 0.00 O ATOM 780 CB ASP A 73 -8.692 9.758 -5.449 1.00 0.00 C ATOM 781 CG ASP A 73 -9.019 10.712 -4.313 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.708 10.396 -3.151 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.585 11.793 -4.588 1.00 0.00 O ATOM 0 H ASP A 73 -6.741 8.488 -7.368 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.154 11.081 -6.100 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.433 9.870 -6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.761 8.731 -5.090 1.00 0.00 H new ATOM 788 N PRO A 74 -5.033 10.010 -5.093 1.00 0.00 N ATOM 789 CA PRO A 74 -3.903 9.491 -4.332 1.00 0.00 C ATOM 790 C PRO A 74 -3.857 9.995 -2.895 1.00 0.00 C ATOM 791 O PRO A 74 -3.208 9.396 -2.037 1.00 0.00 O ATOM 792 CB PRO A 74 -2.717 10.020 -5.128 1.00 0.00 C ATOM 793 CG PRO A 74 -3.177 11.347 -5.631 1.00 0.00 C ATOM 794 CD PRO A 74 -4.669 11.227 -5.849 1.00 0.00 C ATOM 0 HA PRO A 74 -3.938 8.407 -4.226 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.829 10.117 -4.503 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.458 9.351 -5.949 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.952 12.134 -4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.669 11.608 -6.559 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.200 12.103 -5.478 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.913 11.130 -6.907 1.00 0.00 H new ATOM 802 N SER A 75 -4.571 11.079 -2.631 1.00 0.00 N ATOM 803 CA SER A 75 -4.503 11.756 -1.346 1.00 0.00 C ATOM 804 C SER A 75 -5.145 10.947 -0.216 1.00 0.00 C ATOM 805 O SER A 75 -5.088 11.346 0.944 1.00 0.00 O ATOM 806 CB SER A 75 -5.145 13.134 -1.471 1.00 0.00 C ATOM 807 OG SER A 75 -6.210 13.113 -2.411 1.00 0.00 O ATOM 0 H SER A 75 -5.210 11.512 -3.298 1.00 0.00 H new ATOM 0 HA SER A 75 -3.452 11.863 -1.076 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.519 13.455 -0.499 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.395 13.862 -1.781 1.00 0.00 H new ATOM 0 HG SER A 75 -6.608 14.006 -2.474 1.00 0.00 H new ATOM 813 N GLN A 76 -5.732 9.804 -0.552 1.00 0.00 N ATOM 814 CA GLN A 76 -6.277 8.905 0.459 1.00 0.00 C ATOM 815 C GLN A 76 -5.161 8.378 1.357 1.00 0.00 C ATOM 816 O GLN A 76 -5.376 8.083 2.532 1.00 0.00 O ATOM 817 CB GLN A 76 -7.001 7.729 -0.202 1.00 0.00 C ATOM 818 CG GLN A 76 -8.193 8.137 -1.054 1.00 0.00 C ATOM 819 CD GLN A 76 -9.293 8.811 -0.257 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.486 8.539 0.928 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.026 9.700 -0.908 1.00 0.00 N ATOM 0 H GLN A 76 -5.843 9.479 -1.512 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.990 9.465 1.064 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.292 7.183 -0.825 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.340 7.042 0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.856 8.813 -1.840 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.599 7.253 -1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.835 9.898 -1.890 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.782 10.187 -0.428 1.00 0.00 H new ATOM 830 N ALA A 77 -3.960 8.291 0.798 1.00 0.00 N ATOM 831 CA ALA A 77 -2.811 7.761 1.519 1.00 0.00 C ATOM 832 C ALA A 77 -1.881 8.886 1.960 1.00 0.00 C ATOM 833 O ALA A 77 -0.685 8.675 2.169 1.00 0.00 O ATOM 834 CB ALA A 77 -2.061 6.767 0.646 1.00 0.00 C ATOM 0 H ALA A 77 -3.757 8.583 -0.158 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.170 7.248 2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.204 6.376 1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.725 5.945 0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.716 7.266 -0.260 1.00 0.00 H new ATOM 840 N SER A 78 -2.445 10.077 2.106 1.00 0.00 N ATOM 841 CA SER A 78 -1.679 11.265 2.472 1.00 0.00 C ATOM 842 C SER A 78 -0.917 11.082 3.783 1.00 0.00 C ATOM 843 O SER A 78 0.261 11.435 3.880 1.00 0.00 O ATOM 844 CB SER A 78 -2.620 12.464 2.573 1.00 0.00 C ATOM 845 OG SER A 78 -3.832 12.106 3.217 1.00 0.00 O ATOM 0 H SER A 78 -3.442 10.249 1.975 1.00 0.00 H new ATOM 0 HA SER A 78 -0.937 11.437 1.693 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.133 13.267 3.126 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.834 12.848 1.576 1.00 0.00 H new ATOM 0 HG SER A 78 -4.505 11.876 2.543 1.00 0.00 H new ATOM 851 N LYS A 79 -1.584 10.509 4.780 1.00 0.00 N ATOM 852 CA LYS A 79 -0.997 10.355 6.106 1.00 0.00 C ATOM 853 C LYS A 79 0.242 9.462 6.069 1.00 0.00 C ATOM 854 O LYS A 79 1.151 9.627 6.879 1.00 0.00 O ATOM 855 CB LYS A 79 -2.031 9.787 7.083 1.00 0.00 C ATOM 856 CG LYS A 79 -3.317 10.594 7.144 1.00 0.00 C ATOM 857 CD LYS A 79 -4.235 10.117 8.258 1.00 0.00 C ATOM 858 CE LYS A 79 -3.636 10.376 9.633 1.00 0.00 C ATOM 859 NZ LYS A 79 -4.571 9.987 10.724 1.00 0.00 N ATOM 0 H LYS A 79 -2.532 10.143 4.694 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.687 11.342 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.268 8.763 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.592 9.743 8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.078 11.646 7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.837 10.521 6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.197 10.624 8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.426 9.050 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.705 9.818 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.386 11.433 9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.868 10.836 11.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.407 9.521 10.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.092 9.331 11.374 1.00 0.00 H new ATOM 872 N VAL A 80 0.289 8.538 5.115 1.00 0.00 N ATOM 873 CA VAL A 80 1.425 7.633 4.989 1.00 0.00 C ATOM 874 C VAL A 80 2.676 8.407 4.579 1.00 0.00 C ATOM 875 O VAL A 80 3.746 8.224 5.156 1.00 0.00 O ATOM 876 CB VAL A 80 1.157 6.498 3.974 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.362 5.569 3.869 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.087 5.711 4.364 1.00 0.00 C ATOM 0 H VAL A 80 -0.444 8.397 4.420 1.00 0.00 H new ATOM 0 HA VAL A 80 1.580 7.175 5.966 1.00 0.00 H new ATOM 0 HB VAL A 80 0.987 6.951 2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.150 4.778 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.232 6.137 3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.566 5.127 4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.258 4.917 3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.054 5.274 5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.949 6.378 4.382 1.00 0.00 H new ATOM 888 N CYS A 81 2.532 9.293 3.602 1.00 0.00 N ATOM 889 CA CYS A 81 3.649 10.123 3.165 1.00 0.00 C ATOM 890 C CYS A 81 4.093 11.049 4.291 1.00 0.00 C ATOM 891 O CYS A 81 5.276 11.362 4.422 1.00 0.00 O ATOM 892 CB CYS A 81 3.262 10.946 1.935 1.00 0.00 C ATOM 893 SG CYS A 81 2.579 9.956 0.568 1.00 0.00 S ATOM 0 H CYS A 81 1.659 9.456 3.100 1.00 0.00 H new ATOM 0 HA CYS A 81 4.477 9.467 2.898 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.528 11.697 2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.141 11.482 1.578 1.00 0.00 H new ATOM 898 N GLN A 82 3.137 11.476 5.112 1.00 0.00 N ATOM 899 CA GLN A 82 3.435 12.329 6.254 1.00 0.00 C ATOM 900 C GLN A 82 4.236 11.565 7.303 1.00 0.00 C ATOM 901 O GLN A 82 5.066 12.140 8.005 1.00 0.00 O ATOM 902 CB GLN A 82 2.145 12.872 6.871 1.00 0.00 C ATOM 903 CG GLN A 82 1.318 13.730 5.921 1.00 0.00 C ATOM 904 CD GLN A 82 2.087 14.922 5.383 1.00 0.00 C ATOM 905 OE1 GLN A 82 2.985 15.448 6.042 1.00 0.00 O ATOM 906 NE2 GLN A 82 1.730 15.371 4.190 1.00 0.00 N ATOM 0 H GLN A 82 2.149 11.244 5.006 1.00 0.00 H new ATOM 0 HA GLN A 82 4.035 13.168 5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.536 12.034 7.211 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.396 13.462 7.752 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.979 13.116 5.087 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.427 14.083 6.440 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.981 14.909 3.674 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.204 16.179 3.787 1.00 0.00 H new ATOM 915 N ARG A 83 3.993 10.258 7.396 1.00 0.00 N ATOM 916 CA ARG A 83 4.726 9.405 8.329 1.00 0.00 C ATOM 917 C ARG A 83 6.201 9.336 7.943 1.00 0.00 C ATOM 918 O ARG A 83 7.074 9.237 8.802 1.00 0.00 O ATOM 919 CB ARG A 83 4.141 7.987 8.359 1.00 0.00 C ATOM 920 CG ARG A 83 2.688 7.898 8.820 1.00 0.00 C ATOM 921 CD ARG A 83 2.502 8.338 10.268 1.00 0.00 C ATOM 922 NE ARG A 83 2.567 9.791 10.429 1.00 0.00 N ATOM 923 CZ ARG A 83 2.457 10.407 11.603 1.00 0.00 C ATOM 924 NH1 ARG A 83 2.254 9.702 12.706 1.00 0.00 N ATOM 925 NH2 ARG A 83 2.534 11.726 11.683 1.00 0.00 N ATOM 0 H ARG A 83 3.295 9.768 6.837 1.00 0.00 H new ATOM 0 HA ARG A 83 4.631 9.844 9.322 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.216 7.558 7.360 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.754 7.371 9.017 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.067 8.518 8.173 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.338 6.872 8.709 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.539 7.979 10.632 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.270 7.873 10.886 1.00 0.00 H new ATOM 0 HE ARG A 83 2.704 10.363 9.596 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.182 8.686 12.656 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.170 10.175 13.606 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.679 12.281 10.839 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.448 12.188 12.588 1.00 0.00 H new ATOM 938 N LEU A 84 6.470 9.395 6.642 1.00 0.00 N ATOM 939 CA LEU A 84 7.843 9.344 6.142 1.00 0.00 C ATOM 940 C LEU A 84 8.435 10.745 6.006 1.00 0.00 C ATOM 941 O LEU A 84 9.579 10.907 5.574 1.00 0.00 O ATOM 942 CB LEU A 84 7.908 8.623 4.792 1.00 0.00 C ATOM 943 CG LEU A 84 7.935 7.090 4.855 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.628 6.529 5.393 1.00 0.00 C ATOM 945 CD2 LEU A 84 8.231 6.514 3.481 1.00 0.00 C ATOM 0 H LEU A 84 5.759 9.478 5.916 1.00 0.00 H new ATOM 0 HA LEU A 84 8.432 8.786 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.048 8.928 4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.799 8.962 4.263 1.00 0.00 H new ATOM 0 HG LEU A 84 8.728 6.798 5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.684 5.441 5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.455 6.911 6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.807 6.832 4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.248 5.426 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.458 6.829 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.201 6.874 3.137 1.00 0.00 H new ATOM 957 N ASN A 85 7.643 11.746 6.396 1.00 0.00 N ATOM 958 CA ASN A 85 8.040 13.154 6.309 1.00 0.00 C ATOM 959 C ASN A 85 8.268 13.584 4.863 1.00 0.00 C ATOM 960 O ASN A 85 9.275 14.213 4.540 1.00 0.00 O ATOM 961 CB ASN A 85 9.290 13.432 7.149 1.00 0.00 C ATOM 962 CG ASN A 85 9.015 13.379 8.638 1.00 0.00 C ATOM 963 OD1 ASN A 85 7.917 13.702 9.095 1.00 0.00 O ATOM 964 ND2 ASN A 85 10.009 12.966 9.409 1.00 0.00 N ATOM 0 H ASN A 85 6.709 11.604 6.781 1.00 0.00 H new ATOM 0 HA ASN A 85 7.216 13.744 6.712 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.061 12.703 6.899 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.685 14.414 6.891 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.880 12.907 10.419 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.904 12.707 8.993 1.00 0.00 H new ATOM 971 N CYS A 86 7.330 13.238 3.995 1.00 0.00 N ATOM 972 CA CYS A 86 7.373 13.674 2.609 1.00 0.00 C ATOM 973 C CYS A 86 6.095 14.417 2.253 1.00 0.00 C ATOM 974 O CYS A 86 5.142 14.434 3.037 1.00 0.00 O ATOM 975 CB CYS A 86 7.586 12.485 1.668 1.00 0.00 C ATOM 976 SG CYS A 86 9.289 11.840 1.682 1.00 0.00 S ATOM 0 H CYS A 86 6.527 12.654 4.228 1.00 0.00 H new ATOM 0 HA CYS A 86 8.217 14.353 2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.901 11.684 1.947 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.329 12.786 0.652 1.00 0.00 H new ATOM 981 N GLY A 87 6.082 15.041 1.087 1.00 0.00 N ATOM 982 CA GLY A 87 4.919 15.790 0.665 1.00 0.00 C ATOM 983 C GLY A 87 3.763 14.890 0.279 1.00 0.00 C ATOM 984 O GLY A 87 3.867 13.664 0.372 1.00 0.00 O ATOM 0 H GLY A 87 6.857 15.042 0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.606 16.454 1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.184 16.421 -0.183 1.00 0.00 H new ATOM 988 N ASP A 88 2.672 15.497 -0.167 1.00 0.00 N ATOM 989 CA ASP A 88 1.447 14.761 -0.471 1.00 0.00 C ATOM 990 C ASP A 88 1.668 13.755 -1.601 1.00 0.00 C ATOM 991 O ASP A 88 2.522 13.950 -2.472 1.00 0.00 O ATOM 992 CB ASP A 88 0.298 15.725 -0.815 1.00 0.00 C ATOM 993 CG ASP A 88 0.436 16.396 -2.168 1.00 0.00 C ATOM 994 OD1 ASP A 88 -0.041 15.824 -3.172 1.00 0.00 O ATOM 995 OD2 ASP A 88 0.970 17.520 -2.226 1.00 0.00 O ATOM 0 H ASP A 88 2.608 16.502 -0.328 1.00 0.00 H new ATOM 0 HA ASP A 88 1.167 14.202 0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.643 15.176 -0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.240 16.494 -0.044 1.00 0.00 H new ATOM 1000 N PRO A 89 0.920 12.642 -1.562 1.00 0.00 N ATOM 1001 CA PRO A 89 1.043 11.561 -2.541 1.00 0.00 C ATOM 1002 C PRO A 89 0.623 11.974 -3.949 1.00 0.00 C ATOM 1003 O PRO A 89 -0.474 12.496 -4.163 1.00 0.00 O ATOM 1004 CB PRO A 89 0.112 10.472 -2.001 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.843 11.179 -1.107 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.091 12.343 -0.535 1.00 0.00 C ATOM 0 HA PRO A 89 2.080 11.242 -2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.411 9.964 -2.812 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.671 9.711 -1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.720 11.515 -1.661 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.199 10.518 -0.317 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.747 13.196 -0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.370 12.092 0.420 1.00 0.00 H new ATOM 1014 N LEU A 90 1.510 11.725 -4.901 1.00 0.00 N ATOM 1015 CA LEU A 90 1.268 12.032 -6.303 1.00 0.00 C ATOM 1016 C LEU A 90 0.584 10.866 -7.007 1.00 0.00 C ATOM 1017 O LEU A 90 -0.227 11.060 -7.915 1.00 0.00 O ATOM 1018 CB LEU A 90 2.591 12.335 -7.008 1.00 0.00 C ATOM 1019 CG LEU A 90 3.342 13.571 -6.504 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.702 13.679 -7.178 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.527 14.833 -6.752 1.00 0.00 C ATOM 0 H LEU A 90 2.421 11.303 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 90 0.615 12.904 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.244 11.468 -6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.394 12.461 -8.073 1.00 0.00 H new ATOM 0 HG LEU A 90 3.494 13.464 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.222 14.563 -6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.291 12.790 -6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.568 13.762 -8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.078 15.700 -6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.344 14.944 -7.821 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.575 14.760 -6.226 1.00 0.00 H new ATOM 1033 N SER A 91 0.925 9.653 -6.596 1.00 0.00 N ATOM 1034 CA SER A 91 0.391 8.459 -7.230 1.00 0.00 C ATOM 1035 C SER A 91 0.148 7.363 -6.199 1.00 0.00 C ATOM 1036 O SER A 91 0.983 7.124 -5.326 1.00 0.00 O ATOM 1037 CB SER A 91 1.360 7.955 -8.303 1.00 0.00 C ATOM 1038 OG SER A 91 1.714 8.995 -9.201 1.00 0.00 O ATOM 0 H SER A 91 1.569 9.471 -5.826 1.00 0.00 H new ATOM 0 HA SER A 91 -0.560 8.716 -7.696 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.258 7.558 -7.829 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.902 7.134 -8.855 1.00 0.00 H new ATOM 0 HG SER A 91 2.334 8.648 -9.875 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.003 6.713 -6.302 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.335 5.592 -5.436 1.00 0.00 C ATOM 1046 C LEU A 92 -1.892 4.455 -6.281 1.00 0.00 C ATOM 1047 O LEU A 92 -3.095 4.397 -6.557 1.00 0.00 O ATOM 1048 CB LEU A 92 -2.354 6.001 -4.370 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.727 4.902 -3.368 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.505 4.442 -2.585 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.807 5.395 -2.417 1.00 0.00 C ATOM 0 H LEU A 92 -1.727 6.946 -6.982 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.430 5.264 -4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.957 6.853 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.262 6.339 -4.869 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.114 4.051 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.796 3.662 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.758 4.048 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.084 5.286 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.060 4.603 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.441 6.264 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.694 5.672 -2.986 1.00 0.00 H new ATOM 1063 N GLY A 93 -1.007 3.573 -6.705 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.389 2.478 -7.572 1.00 0.00 C ATOM 1065 C GLY A 93 -0.220 1.548 -7.808 1.00 0.00 C ATOM 1066 O GLY A 93 0.659 1.461 -6.963 1.00 0.00 O ATOM 0 H GLY A 93 -0.017 3.595 -6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.215 1.925 -7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.746 2.870 -8.524 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.163 0.849 -8.944 1.00 0.00 N ATOM 1071 CA PRO A 94 0.923 -0.088 -9.226 1.00 0.00 C ATOM 1072 C PRO A 94 2.229 0.625 -9.585 1.00 0.00 C ATOM 1073 O PRO A 94 2.239 1.559 -10.393 1.00 0.00 O ATOM 1074 CB PRO A 94 0.388 -0.886 -10.413 1.00 0.00 C ATOM 1075 CG PRO A 94 -0.544 0.037 -11.109 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.143 0.913 -10.043 1.00 0.00 C ATOM 0 HA PRO A 94 1.176 -0.704 -8.363 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.196 -1.202 -11.073 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.125 -1.789 -10.082 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.017 0.635 -11.853 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.319 -0.518 -11.637 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.282 1.935 -10.396 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.121 0.549 -9.729 1.00 0.00 H new ATOM 1084 N PHE A 95 3.326 0.183 -8.980 1.00 0.00 N ATOM 1085 CA PHE A 95 4.620 0.824 -9.191 1.00 0.00 C ATOM 1086 C PHE A 95 5.617 -0.154 -9.813 1.00 0.00 C ATOM 1087 O PHE A 95 6.077 0.047 -10.939 1.00 0.00 O ATOM 1088 CB PHE A 95 5.156 1.368 -7.861 1.00 0.00 C ATOM 1089 CG PHE A 95 6.360 2.262 -7.997 1.00 0.00 C ATOM 1090 CD1 PHE A 95 6.250 3.511 -8.592 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.599 1.858 -7.524 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.353 4.335 -8.713 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.703 2.678 -7.643 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.581 3.918 -8.238 1.00 0.00 C ATOM 0 H PHE A 95 3.346 -0.613 -8.342 1.00 0.00 H new ATOM 0 HA PHE A 95 4.488 1.654 -9.885 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.361 1.922 -7.362 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.413 0.528 -7.215 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.292 3.843 -8.965 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.702 0.890 -7.057 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.255 5.304 -9.179 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.662 2.350 -7.271 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.444 4.560 -8.332 1.00 0.00 H new ATOM 1104 N LEU A 96 5.938 -1.214 -9.082 1.00 0.00 N ATOM 1105 CA LEU A 96 6.890 -2.210 -9.560 1.00 0.00 C ATOM 1106 C LEU A 96 6.326 -3.612 -9.397 1.00 0.00 C ATOM 1107 O LEU A 96 5.497 -3.863 -8.522 1.00 0.00 O ATOM 1108 CB LEU A 96 8.217 -2.108 -8.796 1.00 0.00 C ATOM 1109 CG LEU A 96 9.038 -0.835 -9.038 1.00 0.00 C ATOM 1110 CD1 LEU A 96 10.290 -0.835 -8.175 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.417 -0.703 -10.506 1.00 0.00 C ATOM 0 H LEU A 96 5.554 -1.407 -8.157 1.00 0.00 H new ATOM 0 HA LEU A 96 7.070 -2.014 -10.617 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.006 -2.182 -7.729 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.832 -2.968 -9.060 1.00 0.00 H new ATOM 0 HG LEU A 96 8.420 0.020 -8.763 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.860 0.076 -8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.007 -0.878 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.902 -1.702 -8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.998 0.207 -10.651 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.012 -1.565 -10.807 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.513 -0.656 -11.113 1.00 0.00 H new ATOM 1123 N LYS A 97 6.767 -4.517 -10.253 1.00 0.00 N ATOM 1124 CA LYS A 97 6.388 -5.915 -10.148 1.00 0.00 C ATOM 1125 C LYS A 97 7.457 -6.647 -9.344 1.00 0.00 C ATOM 1126 O LYS A 97 8.363 -7.269 -9.900 1.00 0.00 O ATOM 1127 CB LYS A 97 6.219 -6.522 -11.552 1.00 0.00 C ATOM 1128 CG LYS A 97 5.433 -7.833 -11.608 1.00 0.00 C ATOM 1129 CD LYS A 97 6.281 -9.031 -11.206 1.00 0.00 C ATOM 1130 CE LYS A 97 5.584 -10.348 -11.518 1.00 0.00 C ATOM 1131 NZ LYS A 97 4.279 -10.480 -10.814 1.00 0.00 N ATOM 0 H LYS A 97 7.391 -4.307 -11.032 1.00 0.00 H new ATOM 0 HA LYS A 97 5.432 -6.014 -9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.720 -5.791 -12.188 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.208 -6.692 -11.978 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.568 -7.764 -10.948 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.052 -7.983 -12.618 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.236 -8.992 -11.730 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.500 -8.980 -10.139 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.423 -10.425 -12.593 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.233 -11.176 -11.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.237 -11.399 -10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.182 -9.716 -10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.504 -10.418 -11.505 1.00 0.00 H new ATOM 1144 N THR A 98 7.366 -6.524 -8.028 1.00 0.00 N ATOM 1145 CA THR A 98 8.337 -7.126 -7.131 1.00 0.00 C ATOM 1146 C THR A 98 8.140 -8.638 -7.040 1.00 0.00 C ATOM 1147 O THR A 98 9.113 -9.385 -6.977 1.00 0.00 O ATOM 1148 CB THR A 98 8.235 -6.494 -5.731 1.00 0.00 C ATOM 1149 OG1 THR A 98 8.358 -5.070 -5.842 1.00 0.00 O ATOM 1150 CG2 THR A 98 9.316 -7.028 -4.802 1.00 0.00 C ATOM 0 H THR A 98 6.623 -6.008 -7.556 1.00 0.00 H new ATOM 0 HA THR A 98 9.331 -6.936 -7.536 1.00 0.00 H new ATOM 0 HB THR A 98 7.265 -6.755 -5.307 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.271 -4.801 -5.609 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.216 -6.562 -3.822 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.209 -8.108 -4.703 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.298 -6.797 -5.215 1.00 0.00 H new ATOM 1158 N TYR A 99 6.885 -9.076 -7.064 1.00 0.00 N ATOM 1159 CA TYR A 99 6.557 -10.501 -7.001 1.00 0.00 C ATOM 1160 C TYR A 99 7.148 -11.141 -5.743 1.00 0.00 C ATOM 1161 O TYR A 99 8.201 -11.783 -5.779 1.00 0.00 O ATOM 1162 CB TYR A 99 7.056 -11.222 -8.263 1.00 0.00 C ATOM 1163 CG TYR A 99 6.629 -12.673 -8.360 1.00 0.00 C ATOM 1164 CD1 TYR A 99 5.293 -13.015 -8.531 1.00 0.00 C ATOM 1165 CD2 TYR A 99 7.562 -13.702 -8.286 1.00 0.00 C ATOM 1166 CE1 TYR A 99 4.898 -14.336 -8.623 1.00 0.00 C ATOM 1167 CE2 TYR A 99 7.175 -15.027 -8.380 1.00 0.00 C ATOM 1168 CZ TYR A 99 5.842 -15.337 -8.547 1.00 0.00 C ATOM 1169 OH TYR A 99 5.450 -16.653 -8.640 1.00 0.00 O ATOM 0 H TYR A 99 6.073 -8.463 -7.127 1.00 0.00 H new ATOM 0 HA TYR A 99 5.473 -10.601 -6.952 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.691 -10.688 -9.141 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.145 -11.173 -8.289 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.550 -12.234 -8.593 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.607 -13.462 -8.153 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.855 -14.583 -8.754 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.913 -15.814 -8.323 1.00 0.00 H new ATOM 0 HH TYR A 99 6.236 -17.234 -8.569 1.00 0.00 H new ATOM 1179 N THR A 100 6.469 -10.944 -4.628 1.00 0.00 N ATOM 1180 CA THR A 100 6.880 -11.526 -3.364 1.00 0.00 C ATOM 1181 C THR A 100 5.718 -12.323 -2.777 1.00 0.00 C ATOM 1182 O THR A 100 4.815 -11.763 -2.155 1.00 0.00 O ATOM 1183 CB THR A 100 7.344 -10.432 -2.383 1.00 0.00 C ATOM 1184 OG1 THR A 100 8.323 -9.601 -3.021 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.939 -11.039 -1.121 1.00 0.00 C ATOM 0 H THR A 100 5.621 -10.379 -4.573 1.00 0.00 H new ATOM 0 HA THR A 100 7.724 -12.195 -3.534 1.00 0.00 H new ATOM 0 HB THR A 100 6.476 -9.837 -2.100 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.617 -8.904 -2.398 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.257 -10.242 -0.449 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.189 -11.655 -0.625 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.798 -11.656 -1.384 1.00 0.00 H new ATOM 1193 N PRO A 101 5.739 -13.652 -3.002 1.00 0.00 N ATOM 1194 CA PRO A 101 4.622 -14.560 -2.697 1.00 0.00 C ATOM 1195 C PRO A 101 4.045 -14.400 -1.294 1.00 0.00 C ATOM 1196 O PRO A 101 2.828 -14.398 -1.124 1.00 0.00 O ATOM 1197 CB PRO A 101 5.240 -15.952 -2.861 1.00 0.00 C ATOM 1198 CG PRO A 101 6.338 -15.759 -3.845 1.00 0.00 C ATOM 1199 CD PRO A 101 6.884 -14.380 -3.590 1.00 0.00 C ATOM 0 HA PRO A 101 3.774 -14.358 -3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.619 -16.332 -1.912 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.506 -16.672 -3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 101 7.113 -16.515 -3.719 1.00 0.00 H new ATOM 0 HG3 PRO A 101 5.968 -15.850 -4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.734 -14.406 -2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 101 7.228 -13.909 -4.511 1.00 0.00 H new ATOM 1207 N GLN A 102 4.906 -14.270 -0.296 1.00 0.00 N ATOM 1208 CA GLN A 102 4.449 -14.192 1.087 1.00 0.00 C ATOM 1209 C GLN A 102 4.132 -12.752 1.487 1.00 0.00 C ATOM 1210 O GLN A 102 3.200 -12.499 2.254 1.00 0.00 O ATOM 1211 CB GLN A 102 5.487 -14.804 2.038 1.00 0.00 C ATOM 1212 CG GLN A 102 5.591 -16.321 1.927 1.00 0.00 C ATOM 1213 CD GLN A 102 6.686 -16.911 2.798 1.00 0.00 C ATOM 1214 OE1 GLN A 102 6.566 -18.034 3.291 1.00 0.00 O ATOM 1215 NE2 GLN A 102 7.768 -16.172 2.985 1.00 0.00 N ATOM 0 H GLN A 102 5.918 -14.216 -0.414 1.00 0.00 H new ATOM 0 HA GLN A 102 3.528 -14.770 1.166 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.463 -14.364 1.830 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.230 -14.539 3.064 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.635 -16.766 2.205 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.778 -16.591 0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.833 -15.246 2.561 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.537 -16.528 3.553 1.00 0.00 H new ATOM 1224 N SER A 103 4.883 -11.806 0.952 1.00 0.00 N ATOM 1225 CA SER A 103 4.684 -10.411 1.304 1.00 0.00 C ATOM 1226 C SER A 103 3.849 -9.701 0.240 1.00 0.00 C ATOM 1227 O SER A 103 4.280 -8.719 -0.359 1.00 0.00 O ATOM 1228 CB SER A 103 6.029 -9.702 1.503 1.00 0.00 C ATOM 1229 OG SER A 103 5.855 -8.413 2.073 1.00 0.00 O ATOM 0 H SER A 103 5.630 -11.975 0.278 1.00 0.00 H new ATOM 0 HA SER A 103 4.139 -10.372 2.247 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.668 -10.304 2.149 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.540 -9.612 0.544 1.00 0.00 H new ATOM 0 HG SER A 103 6.729 -7.986 2.189 1.00 0.00 H new ATOM 1235 N SER A 104 2.656 -10.223 -0.007 1.00 0.00 N ATOM 1236 CA SER A 104 1.698 -9.564 -0.878 1.00 0.00 C ATOM 1237 C SER A 104 0.278 -9.990 -0.510 1.00 0.00 C ATOM 1238 O SER A 104 -0.034 -11.184 -0.453 1.00 0.00 O ATOM 1239 CB SER A 104 2.005 -9.862 -2.353 1.00 0.00 C ATOM 1240 OG SER A 104 2.185 -11.250 -2.582 1.00 0.00 O ATOM 0 H SER A 104 2.329 -11.105 0.386 1.00 0.00 H new ATOM 0 HA SER A 104 1.780 -8.486 -0.738 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.190 -9.493 -2.976 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.904 -9.324 -2.653 1.00 0.00 H new ATOM 0 HG SER A 104 3.138 -11.471 -2.519 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.574 -9.017 -0.227 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.930 -9.303 0.224 1.00 0.00 C ATOM 1248 C ILE A 105 -2.971 -8.526 -0.574 1.00 0.00 C ATOM 1249 O ILE A 105 -2.689 -7.459 -1.125 1.00 0.00 O ATOM 1250 CB ILE A 105 -2.116 -8.980 1.725 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.678 -7.539 2.023 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.351 -9.979 2.589 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.929 -7.102 3.450 1.00 0.00 C ATOM 0 H ILE A 105 -0.353 -8.024 -0.301 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.079 -10.371 0.063 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.174 -9.068 1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.614 -7.441 1.806 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.205 -6.863 1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.495 -9.735 3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.722 -10.986 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.289 -9.931 2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.593 -6.073 3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.995 -7.165 3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.380 -7.752 4.131 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.167 -9.089 -0.633 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.323 -8.421 -1.208 1.00 0.00 C ATOM 1267 C ILE A 106 -6.356 -8.215 -0.110 1.00 0.00 C ATOM 1268 O ILE A 106 -6.823 -9.178 0.496 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.940 -9.234 -2.371 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -5.066 -9.120 -3.621 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.361 -8.768 -2.672 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.505 -10.024 -4.756 1.00 0.00 C ATOM 0 H ILE A 106 -4.364 -10.026 -0.282 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.005 -7.463 -1.620 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.985 -10.280 -2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.075 -8.086 -3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.036 -9.358 -3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.770 -9.356 -3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.982 -8.900 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.347 -7.715 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.839 -9.888 -5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.468 -11.063 -4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.524 -9.772 -5.049 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.687 -6.970 0.174 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.546 -6.675 1.309 1.00 0.00 C ATOM 1286 C CYS A 107 -8.916 -6.181 0.854 1.00 0.00 C ATOM 1287 O CYS A 107 -9.079 -5.720 -0.278 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.878 -5.651 2.227 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.417 -5.769 3.962 1.00 0.00 S ATOM 0 H CYS A 107 -6.380 -6.155 -0.357 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.698 -7.598 1.868 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.797 -5.784 2.181 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.092 -4.649 1.856 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.894 -6.294 1.742 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.267 -5.927 1.434 1.00 0.00 C ATOM 1296 C TYR A 108 -11.793 -4.952 2.484 1.00 0.00 C ATOM 1297 O TYR A 108 -11.113 -4.669 3.470 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.156 -7.176 1.395 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.661 -8.264 0.462 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.886 -8.192 -0.909 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.977 -9.367 0.956 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.437 -9.187 -1.758 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.526 -10.364 0.114 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.760 -10.272 -1.240 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.316 -11.271 -2.078 1.00 0.00 O ATOM 0 H TYR A 108 -9.758 -6.641 2.691 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.289 -5.448 0.455 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.233 -7.585 2.403 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.161 -6.883 1.092 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.420 -7.346 -1.317 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.795 -9.446 2.018 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.615 -9.115 -2.821 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.992 -11.212 0.516 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.858 -11.960 -1.552 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.006 -4.455 2.280 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.588 -3.511 3.215 1.00 0.00 C ATOM 1317 C GLY A 109 -13.423 -2.073 2.767 1.00 0.00 C ATOM 1318 O GLY A 109 -13.255 -1.802 1.575 1.00 0.00 O ATOM 0 H GLY A 109 -13.598 -4.689 1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.649 -3.731 3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.123 -3.639 4.192 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.479 -1.153 3.722 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.280 0.263 3.441 1.00 0.00 C ATOM 1324 C GLN A 110 -11.842 0.533 3.023 1.00 0.00 C ATOM 1325 O GLN A 110 -10.903 -0.006 3.613 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.617 1.114 4.669 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.110 1.321 4.905 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.761 2.194 3.845 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -15.372 2.185 2.677 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -16.744 2.979 4.250 1.00 0.00 N ATOM 0 H GLN A 110 -13.662 -1.364 4.703 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.948 0.534 2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.184 0.643 5.552 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.140 2.088 4.562 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.607 0.351 4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.258 1.776 5.884 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.042 2.961 5.225 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.205 3.602 3.587 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.682 1.374 2.005 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.368 1.748 1.499 1.00 0.00 C ATOM 1341 C LEU A 111 -9.504 2.320 2.615 1.00 0.00 C ATOM 1342 O LEU A 111 -9.735 3.437 3.082 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.523 2.771 0.364 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.224 3.389 -0.169 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.318 2.332 -0.779 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.536 4.470 -1.193 1.00 0.00 C ATOM 0 H LEU A 111 -12.458 1.813 1.510 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.874 0.857 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.039 2.288 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.168 3.577 0.714 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.696 3.838 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.406 2.803 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.063 1.590 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.834 1.844 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.605 4.900 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.090 4.035 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.136 5.251 -0.726 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.528 1.539 3.053 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.633 1.995 4.090 1.00 0.00 C ATOM 1360 C GLY A 112 -7.644 1.100 5.309 1.00 0.00 C ATOM 1361 O GLY A 112 -6.774 1.217 6.168 1.00 0.00 O ATOM 0 H GLY A 112 -8.342 0.598 2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.620 2.047 3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.912 3.007 4.385 1.00 0.00 H new ATOM 1365 N SER A 113 -8.628 0.214 5.395 1.00 0.00 N ATOM 1366 CA SER A 113 -8.705 -0.714 6.514 1.00 0.00 C ATOM 1367 C SER A 113 -8.080 -2.055 6.138 1.00 0.00 C ATOM 1368 O SER A 113 -8.464 -2.675 5.145 1.00 0.00 O ATOM 1369 CB SER A 113 -10.160 -0.908 6.956 1.00 0.00 C ATOM 1370 OG SER A 113 -10.240 -1.686 8.143 1.00 0.00 O ATOM 0 H SER A 113 -9.377 0.119 4.710 1.00 0.00 H new ATOM 0 HA SER A 113 -8.146 -0.292 7.349 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.624 0.064 7.124 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.722 -1.396 6.160 1.00 0.00 H new ATOM 0 HG SER A 113 -11.179 -1.792 8.402 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.108 -2.488 6.930 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.423 -3.755 6.699 1.00 0.00 C ATOM 1378 C PHE A 114 -6.870 -4.791 7.730 1.00 0.00 C ATOM 1379 O PHE A 114 -6.082 -5.618 8.188 1.00 0.00 O ATOM 1380 CB PHE A 114 -4.903 -3.557 6.769 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.355 -2.641 5.708 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.298 -1.268 5.913 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -3.893 -3.152 4.507 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.790 -0.428 4.941 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.382 -2.317 3.533 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.331 -0.953 3.750 1.00 0.00 C ATOM 0 H PHE A 114 -6.773 -1.975 7.746 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.682 -4.117 5.704 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.644 -3.157 7.749 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.416 -4.528 6.683 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -4.655 -0.852 6.844 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.933 -4.217 4.330 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.752 0.638 5.113 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.022 -2.730 2.602 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.933 -0.299 2.989 1.00 0.00 H new ATOM 1396 N SER A 115 -8.143 -4.737 8.093 1.00 0.00 N ATOM 1397 CA SER A 115 -8.684 -5.631 9.106 1.00 0.00 C ATOM 1398 C SER A 115 -9.260 -6.903 8.475 1.00 0.00 C ATOM 1399 O SER A 115 -9.579 -7.870 9.171 1.00 0.00 O ATOM 1400 CB SER A 115 -9.764 -4.903 9.909 1.00 0.00 C ATOM 1401 OG SER A 115 -9.268 -3.683 10.445 1.00 0.00 O ATOM 0 H SER A 115 -8.821 -4.083 7.701 1.00 0.00 H new ATOM 0 HA SER A 115 -7.873 -5.928 9.772 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.623 -4.700 9.269 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.114 -5.544 10.718 1.00 0.00 H new ATOM 0 HG SER A 115 -9.488 -2.946 9.838 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.382 -6.903 7.153 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.967 -8.034 6.439 1.00 0.00 C ATOM 1409 C ASN A 116 -9.209 -8.281 5.137 1.00 0.00 C ATOM 1410 O ASN A 116 -9.690 -7.958 4.051 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.454 -7.772 6.149 1.00 0.00 C ATOM 1412 CG ASN A 116 -12.156 -8.959 5.505 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -13.022 -8.789 4.645 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -11.824 -10.166 5.946 1.00 0.00 N ATOM 0 H ASN A 116 -9.084 -6.134 6.553 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.888 -8.922 7.065 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.961 -7.520 7.081 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.543 -6.906 5.493 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.291 -10.992 5.572 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.102 -10.268 6.659 1.00 0.00 H new ATOM 1421 N CYS A 117 -8.014 -8.841 5.249 1.00 0.00 N ATOM 1422 CA CYS A 117 -7.178 -9.058 4.079 1.00 0.00 C ATOM 1423 C CYS A 117 -6.988 -10.551 3.818 1.00 0.00 C ATOM 1424 O CYS A 117 -7.035 -11.365 4.740 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.812 -8.390 4.266 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.866 -6.678 4.913 1.00 0.00 S ATOM 0 H CYS A 117 -7.604 -9.151 6.130 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.679 -8.612 3.220 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -5.217 -9.000 4.945 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.294 -8.383 3.307 1.00 0.00 H new ATOM 1431 N SER A 118 -6.781 -10.902 2.557 1.00 0.00 N ATOM 1432 CA SER A 118 -6.528 -12.279 2.165 1.00 0.00 C ATOM 1433 C SER A 118 -5.165 -12.385 1.491 1.00 0.00 C ATOM 1434 O SER A 118 -4.607 -11.381 1.040 1.00 0.00 O ATOM 1435 CB SER A 118 -7.623 -12.755 1.208 1.00 0.00 C ATOM 1436 OG SER A 118 -8.908 -12.577 1.781 1.00 0.00 O ATOM 0 H SER A 118 -6.784 -10.242 1.780 1.00 0.00 H new ATOM 0 HA SER A 118 -6.533 -12.910 3.054 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.558 -12.202 0.271 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.470 -13.807 0.968 1.00 0.00 H new ATOM 0 HG SER A 118 -9.579 -13.028 1.227 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.621 -13.593 1.438 1.00 0.00 N ATOM 1443 CA HIS A 119 -3.343 -13.815 0.780 1.00 0.00 C ATOM 1444 C HIS A 119 -3.544 -13.732 -0.729 1.00 0.00 C ATOM 1445 O HIS A 119 -4.509 -14.281 -1.257 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.761 -15.175 1.177 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.259 -15.209 1.187 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.526 -16.374 1.289 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -0.351 -14.204 1.139 1.00 0.00 C ATOM 1450 CE1 HIS A 119 0.761 -16.083 1.310 1.00 0.00 C ATOM 1451 NE2 HIS A 119 0.893 -14.775 1.219 1.00 0.00 N ATOM 0 H HIS A 119 -5.043 -14.430 1.841 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.634 -13.049 1.093 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -3.128 -15.442 2.168 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -3.128 -15.933 0.486 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -0.918 -17.314 1.340 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -0.567 -13.149 1.054 1.00 0.00 H new ATOM 0 HE1 HIS A 119 1.569 -16.796 1.388 1.00 0.00 H new ATOM 1459 N SER A 120 -2.645 -13.029 -1.410 1.00 0.00 N ATOM 1460 CA SER A 120 -2.813 -12.734 -2.828 1.00 0.00 C ATOM 1461 C SER A 120 -2.811 -14.007 -3.677 1.00 0.00 C ATOM 1462 O SER A 120 -1.854 -14.784 -3.659 1.00 0.00 O ATOM 1463 CB SER A 120 -1.716 -11.777 -3.306 1.00 0.00 C ATOM 1464 OG SER A 120 -1.926 -11.383 -4.654 1.00 0.00 O ATOM 0 H SER A 120 -1.790 -12.652 -1.001 1.00 0.00 H new ATOM 0 HA SER A 120 -3.785 -12.256 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.696 -10.895 -2.666 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.743 -12.260 -3.213 1.00 0.00 H new ATOM 0 HG SER A 120 -1.355 -10.614 -4.863 1.00 0.00 H new ATOM 1470 N ARG A 121 -3.904 -14.214 -4.402 1.00 0.00 N ATOM 1471 CA ARG A 121 -4.019 -15.312 -5.351 1.00 0.00 C ATOM 1472 C ARG A 121 -4.136 -14.730 -6.762 1.00 0.00 C ATOM 1473 O ARG A 121 -4.793 -15.280 -7.647 1.00 0.00 O ATOM 1474 CB ARG A 121 -5.234 -16.184 -4.992 1.00 0.00 C ATOM 1475 CG ARG A 121 -5.435 -17.402 -5.886 1.00 0.00 C ATOM 1476 CD ARG A 121 -4.200 -18.288 -5.938 1.00 0.00 C ATOM 1477 NE ARG A 121 -3.859 -18.839 -4.631 1.00 0.00 N ATOM 1478 CZ ARG A 121 -3.968 -20.123 -4.321 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -4.459 -20.980 -5.207 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -3.598 -20.557 -3.129 1.00 0.00 N ATOM 0 H ARG A 121 -4.735 -13.625 -4.348 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.135 -15.949 -5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -5.129 -16.521 -3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -6.132 -15.567 -5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -6.282 -17.983 -5.520 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.686 -17.073 -6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.370 -19.104 -6.641 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.357 -17.711 -6.318 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.517 -18.199 -3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.753 -20.651 -6.127 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.543 -21.968 -4.968 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.226 -19.903 -2.441 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.685 -21.546 -2.897 1.00 0.00 H new ATOM 1493 N ASN A 122 -3.478 -13.602 -6.965 1.00 0.00 N ATOM 1494 CA ASN A 122 -3.559 -12.886 -8.226 1.00 0.00 C ATOM 1495 C ASN A 122 -2.190 -12.860 -8.899 1.00 0.00 C ATOM 1496 O ASN A 122 -1.216 -12.397 -8.313 1.00 0.00 O ATOM 1497 CB ASN A 122 -4.064 -11.464 -7.979 1.00 0.00 C ATOM 1498 CG ASN A 122 -4.456 -10.757 -9.257 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -3.637 -10.102 -9.890 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -5.717 -10.882 -9.638 1.00 0.00 N ATOM 0 H ASN A 122 -2.878 -13.160 -6.268 1.00 0.00 H new ATOM 0 HA ASN A 122 -4.259 -13.396 -8.888 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -4.923 -11.499 -7.309 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -3.288 -10.889 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -6.040 -10.423 -10.489 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -6.366 -11.438 -9.080 1.00 0.00 H new ATOM 1507 N ASP A 123 -2.118 -13.378 -10.123 1.00 0.00 N ATOM 1508 CA ASP A 123 -0.843 -13.470 -10.838 1.00 0.00 C ATOM 1509 C ASP A 123 -0.431 -12.121 -11.417 1.00 0.00 C ATOM 1510 O ASP A 123 0.751 -11.781 -11.442 1.00 0.00 O ATOM 1511 CB ASP A 123 -0.903 -14.521 -11.948 1.00 0.00 C ATOM 1512 CG ASP A 123 0.388 -14.590 -12.743 1.00 0.00 C ATOM 1513 OD1 ASP A 123 1.457 -14.812 -12.137 1.00 0.00 O ATOM 1514 OD2 ASP A 123 0.340 -14.412 -13.978 1.00 0.00 O ATOM 0 H ASP A 123 -2.920 -13.739 -10.639 1.00 0.00 H new ATOM 0 HA ASP A 123 -0.090 -13.777 -10.112 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -1.111 -15.497 -11.510 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -1.730 -14.290 -12.620 1.00 0.00 H new ATOM 1519 N MET A 124 -1.405 -11.343 -11.869 1.00 0.00 N ATOM 1520 CA MET A 124 -1.129 -10.012 -12.397 1.00 0.00 C ATOM 1521 C MET A 124 -1.086 -8.994 -11.259 1.00 0.00 C ATOM 1522 O MET A 124 -1.371 -7.811 -11.450 1.00 0.00 O ATOM 1523 CB MET A 124 -2.164 -9.601 -13.458 1.00 0.00 C ATOM 1524 CG MET A 124 -3.610 -9.614 -12.977 1.00 0.00 C ATOM 1525 SD MET A 124 -4.288 -11.283 -12.814 1.00 0.00 S ATOM 1526 CE MET A 124 -4.221 -11.845 -14.514 1.00 0.00 C ATOM 0 H MET A 124 -2.390 -11.608 -11.881 1.00 0.00 H new ATOM 0 HA MET A 124 -0.154 -10.036 -12.885 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.922 -8.599 -13.812 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.074 -10.272 -14.313 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.671 -9.108 -12.014 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.224 -9.045 -13.675 1.00 0.00 H new ATOM 0 HE1 MET A 124 -4.957 -12.634 -14.666 1.00 0.00 H new ATOM 0 HE2 MET A 124 -4.440 -11.012 -15.182 1.00 0.00 H new ATOM 0 HE3 MET A 124 -3.225 -12.231 -14.730 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.715 -9.477 -10.078 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.606 -8.647 -8.887 1.00 0.00 C ATOM 1538 C CYS A 125 0.564 -7.683 -9.013 1.00 0.00 C ATOM 1539 O CYS A 125 1.667 -7.947 -8.535 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.436 -9.526 -7.640 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.200 -8.604 -6.084 1.00 0.00 S ATOM 0 H CYS A 125 -0.481 -10.457 -9.921 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.523 -8.067 -8.786 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.314 -10.163 -7.539 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.420 -10.184 -7.790 1.00 0.00 H new ATOM 1546 N HIS A 126 0.324 -6.580 -9.693 1.00 0.00 N ATOM 1547 CA HIS A 126 1.309 -5.529 -9.796 1.00 0.00 C ATOM 1548 C HIS A 126 1.380 -4.807 -8.451 1.00 0.00 C ATOM 1549 O HIS A 126 0.426 -4.142 -8.047 1.00 0.00 O ATOM 1550 CB HIS A 126 0.926 -4.570 -10.929 1.00 0.00 C ATOM 1551 CG HIS A 126 2.037 -3.666 -11.375 1.00 0.00 C ATOM 1552 ND1 HIS A 126 1.969 -2.894 -12.520 1.00 0.00 N ATOM 1553 CD2 HIS A 126 3.247 -3.410 -10.827 1.00 0.00 C ATOM 1554 CE1 HIS A 126 3.089 -2.209 -12.653 1.00 0.00 C ATOM 1555 NE2 HIS A 126 3.880 -2.504 -11.638 1.00 0.00 N ATOM 0 H HIS A 126 -0.550 -6.390 -10.184 1.00 0.00 H new ATOM 0 HA HIS A 126 2.291 -5.940 -10.031 1.00 0.00 H new ATOM 0 HB2 HIS A 126 0.583 -5.154 -11.783 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.085 -3.959 -10.603 1.00 0.00 H new ATOM 0 HD2 HIS A 126 3.642 -3.840 -9.918 1.00 0.00 H new ATOM 0 HE1 HIS A 126 3.319 -1.524 -13.455 1.00 0.00 H new ATOM 0 HE2 HIS A 126 4.812 -2.120 -11.482 1.00 0.00 H new ATOM 1563 N SER A 127 2.502 -4.974 -7.754 1.00 0.00 N ATOM 1564 CA SER A 127 2.662 -4.460 -6.396 1.00 0.00 C ATOM 1565 C SER A 127 2.374 -2.959 -6.326 1.00 0.00 C ATOM 1566 O SER A 127 2.757 -2.193 -7.220 1.00 0.00 O ATOM 1567 CB SER A 127 4.073 -4.771 -5.896 1.00 0.00 C ATOM 1568 OG SER A 127 4.376 -6.147 -6.083 1.00 0.00 O ATOM 0 H SER A 127 3.321 -5.466 -8.112 1.00 0.00 H new ATOM 0 HA SER A 127 1.937 -4.954 -5.750 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.798 -4.157 -6.430 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.155 -4.515 -4.840 1.00 0.00 H new ATOM 0 HG SER A 127 5.117 -6.402 -5.495 1.00 0.00 H new ATOM 1574 N LEU A 128 1.693 -2.553 -5.261 1.00 0.00 N ATOM 1575 CA LEU A 128 1.230 -1.182 -5.121 1.00 0.00 C ATOM 1576 C LEU A 128 2.355 -0.286 -4.618 1.00 0.00 C ATOM 1577 O LEU A 128 3.015 -0.592 -3.623 1.00 0.00 O ATOM 1578 CB LEU A 128 0.027 -1.137 -4.169 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.843 0.123 -4.243 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.222 -0.167 -3.677 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.204 1.275 -3.483 1.00 0.00 C ATOM 0 H LEU A 128 1.449 -3.160 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 128 0.918 -0.810 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.604 -2.002 -4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.393 -1.242 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.933 0.413 -5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.835 0.733 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.692 -0.963 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.130 -0.479 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -0.843 2.155 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.082 0.997 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.771 1.499 -3.915 1.00 0.00 H new ATOM 1593 N GLY A 129 2.555 0.821 -5.312 1.00 0.00 N ATOM 1594 CA GLY A 129 3.582 1.766 -4.952 1.00 0.00 C ATOM 1595 C GLY A 129 3.006 3.130 -4.658 1.00 0.00 C ATOM 1596 O GLY A 129 2.227 3.670 -5.448 1.00 0.00 O ATOM 0 H GLY A 129 2.011 1.083 -6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.121 1.402 -4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 129 4.306 1.844 -5.763 1.00 0.00 H new ATOM 1600 N LEU A 130 3.379 3.684 -3.521 1.00 0.00 N ATOM 1601 CA LEU A 130 2.926 5.007 -3.141 1.00 0.00 C ATOM 1602 C LEU A 130 3.998 6.031 -3.487 1.00 0.00 C ATOM 1603 O LEU A 130 5.093 6.016 -2.925 1.00 0.00 O ATOM 1604 CB LEU A 130 2.605 5.053 -1.646 1.00 0.00 C ATOM 1605 CG LEU A 130 2.119 6.406 -1.121 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.860 6.848 -1.850 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.859 6.328 0.375 1.00 0.00 C ATOM 0 H LEU A 130 3.996 3.237 -2.843 1.00 0.00 H new ATOM 0 HA LEU A 130 2.016 5.244 -3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.843 4.304 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.498 4.766 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 130 2.899 7.144 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.533 7.812 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.070 6.940 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.073 6.109 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.514 7.297 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.096 5.575 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.780 6.056 0.891 1.00 0.00 H new ATOM 1619 N THR A 131 3.695 6.896 -4.437 1.00 0.00 N ATOM 1620 CA THR A 131 4.637 7.910 -4.871 1.00 0.00 C ATOM 1621 C THR A 131 4.336 9.242 -4.189 1.00 0.00 C ATOM 1622 O THR A 131 3.403 9.943 -4.573 1.00 0.00 O ATOM 1623 CB THR A 131 4.572 8.093 -6.400 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.587 6.808 -7.038 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.743 8.926 -6.906 1.00 0.00 C ATOM 0 H THR A 131 2.799 6.916 -4.925 1.00 0.00 H new ATOM 0 HA THR A 131 5.638 7.581 -4.594 1.00 0.00 H new ATOM 0 HB THR A 131 3.648 8.619 -6.642 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.544 6.925 -8.010 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.670 9.038 -7.988 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.719 9.910 -6.437 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.679 8.427 -6.656 1.00 0.00 H new ATOM 1633 N CYS A 132 5.113 9.574 -3.174 1.00 0.00 N ATOM 1634 CA CYS A 132 4.923 10.821 -2.441 1.00 0.00 C ATOM 1635 C CYS A 132 5.901 11.875 -2.945 1.00 0.00 C ATOM 1636 O CYS A 132 6.908 11.538 -3.568 1.00 0.00 O ATOM 1637 CB CYS A 132 5.130 10.582 -0.941 1.00 0.00 C ATOM 1638 SG CYS A 132 4.223 9.142 -0.295 1.00 0.00 S ATOM 0 H CYS A 132 5.884 8.999 -2.835 1.00 0.00 H new ATOM 0 HA CYS A 132 3.906 11.178 -2.604 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.194 10.446 -0.748 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.818 11.472 -0.394 1.00 0.00 H new ATOM 1643 N LEU A 133 5.585 13.146 -2.705 1.00 0.00 N ATOM 1644 CA LEU A 133 6.504 14.232 -3.029 1.00 0.00 C ATOM 1645 C LEU A 133 7.764 14.126 -2.172 1.00 0.00 C ATOM 1646 O LEU A 133 7.818 14.646 -1.053 1.00 0.00 O ATOM 1647 CB LEU A 133 5.827 15.591 -2.821 1.00 0.00 C ATOM 1648 CG LEU A 133 4.871 16.028 -3.933 1.00 0.00 C ATOM 1649 CD1 LEU A 133 3.978 17.156 -3.445 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.652 16.471 -5.163 1.00 0.00 C ATOM 0 H LEU A 133 4.704 13.447 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 133 6.786 14.148 -4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.275 15.562 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.601 16.350 -2.712 1.00 0.00 H new ATOM 0 HG LEU A 133 4.246 15.178 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.303 17.458 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.396 16.815 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.594 18.006 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 133 4.957 16.778 -5.944 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.298 17.309 -4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.261 15.643 -5.525 1.00 0.00 H new ATOM 1662 N GLU A 134 8.757 13.423 -2.699 1.00 0.00 N ATOM 1663 CA GLU A 134 9.999 13.176 -1.988 1.00 0.00 C ATOM 1664 C GLU A 134 11.052 14.203 -2.397 1.00 0.00 C ATOM 1665 O GLU A 134 11.849 13.919 -3.320 1.00 0.00 O ATOM 1666 CB GLU A 134 10.486 11.751 -2.282 1.00 0.00 C ATOM 1667 CG GLU A 134 11.771 11.369 -1.571 1.00 0.00 C ATOM 1668 CD GLU A 134 12.258 9.991 -1.962 1.00 0.00 C ATOM 1669 OE1 GLU A 134 12.647 9.803 -3.133 1.00 0.00 O ATOM 1670 OE2 GLU A 134 12.261 9.088 -1.101 1.00 0.00 O ATOM 1671 OXT GLU A 134 11.063 15.304 -1.812 1.00 0.00 O ATOM 0 H GLU A 134 8.722 13.009 -3.631 1.00 0.00 H new ATOM 0 HA GLU A 134 9.827 13.273 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 134 9.704 11.047 -1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 134 10.634 11.645 -3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.543 12.103 -1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.611 11.403 -0.493 1.00 0.00 H new TER 1678 GLU A 134