USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 944 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 46 HIS : no HE2:sc= -1.43 X(o=-0.61,f=-0.26) USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.823 K(o=-0.61,f=-4.4!) USER MOD Single : A 11 SER OG : rot 177:sc= 1.09 USER MOD Single : A 15 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.0011) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.0875 USER MOD Single : A 21 THR OG1 : rot 85:sc= 0.6 USER MOD Single : A 24 ASN : amide:sc= 0.189 K(o=0.19,f=-2.9) USER MOD Single : A 37 THR OG1 : rot 91:sc= -0.0389 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 0.316 (180deg=0.0871) USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= 0.727 (180deg=0.391) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -169:sc= -0.0827 (180deg=-0.342) USER MOD Single : A 72 LYS NZ :NH3+ -165:sc= -0.026 (180deg=-0.148!) USER MOD Single : A 78 LYS NZ :NH3+ 140:sc= 0.54 (180deg=-1.05!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -157:sc= 0.673 (180deg=-1.63!) USER MOD Single : A 94 LYS NZ :NH3+ -148:sc= 1.99 (180deg=-0.36) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 164:sc= 1.21 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 3.898 -3.389 10.652 1.00 1.81 N ATOM 56 CA GLU A 5 3.291 -2.087 10.956 1.00 1.14 C ATOM 57 C GLU A 5 2.550 -1.590 9.707 1.00 0.94 C ATOM 58 O GLU A 5 3.031 -0.743 8.953 1.00 1.58 O ATOM 59 CB GLU A 5 4.342 -1.107 11.506 1.00 2.66 C ATOM 60 CG GLU A 5 3.734 0.209 12.007 1.00 4.34 C ATOM 61 CD GLU A 5 4.835 1.203 12.356 1.00 5.88 C ATOM 62 OE1 GLU A 5 5.607 0.954 13.306 1.00 6.18 O ATOM 63 OE2 GLU A 5 4.988 2.203 11.628 1.00 7.23 O ATOM 0 HA GLU A 5 2.553 -2.176 11.753 1.00 1.14 H new ATOM 0 HB2 GLU A 5 4.883 -1.585 12.323 1.00 2.66 H new ATOM 0 HB3 GLU A 5 5.071 -0.890 10.725 1.00 2.66 H new ATOM 0 HG2 GLU A 5 3.083 0.631 11.241 1.00 4.34 H new ATOM 0 HG3 GLU A 5 3.114 0.020 12.884 1.00 4.34 H new ATOM 70 N GLY A 6 1.408 -2.227 9.432 1.00 0.91 N ATOM 71 CA GLY A 6 0.470 -1.882 8.364 1.00 0.76 C ATOM 72 C GLY A 6 -0.931 -2.423 8.624 1.00 0.65 C ATOM 73 O GLY A 6 -1.110 -3.300 9.466 1.00 0.75 O ATOM 0 H GLY A 6 1.100 -3.034 9.974 1.00 0.91 H new ATOM 0 HA2 GLY A 6 0.424 -0.798 8.260 1.00 0.76 H new ATOM 0 HA3 GLY A 6 0.839 -2.277 7.418 1.00 0.76 H new ATOM 77 N TRP A 7 -1.906 -1.915 7.867 1.00 0.59 N ATOM 78 CA TRP A 7 -3.293 -2.370 7.860 1.00 0.57 C ATOM 79 C TRP A 7 -4.002 -2.041 6.529 1.00 0.55 C ATOM 80 O TRP A 7 -3.653 -1.069 5.854 1.00 0.68 O ATOM 81 CB TRP A 7 -4.043 -1.797 9.074 1.00 0.68 C ATOM 82 CG TRP A 7 -4.320 -0.324 9.047 1.00 0.63 C ATOM 83 CD1 TRP A 7 -5.499 0.241 8.703 1.00 0.73 C ATOM 84 CD2 TRP A 7 -3.439 0.789 9.403 1.00 0.88 C ATOM 85 NE1 TRP A 7 -5.423 1.609 8.852 1.00 1.03 N ATOM 86 CE2 TRP A 7 -4.172 2.010 9.279 1.00 1.17 C ATOM 87 CE3 TRP A 7 -2.100 0.893 9.842 1.00 1.05 C ATOM 88 CZ2 TRP A 7 -3.612 3.263 9.582 1.00 1.60 C ATOM 89 CZ3 TRP A 7 -1.522 2.144 10.131 1.00 1.45 C ATOM 90 CH2 TRP A 7 -2.274 3.324 10.010 1.00 1.72 C ATOM 0 H TRP A 7 -1.742 -1.146 7.218 1.00 0.59 H new ATOM 0 HA TRP A 7 -3.297 -3.457 7.942 1.00 0.57 H new ATOM 0 HB2 TRP A 7 -4.993 -2.322 9.169 1.00 0.68 H new ATOM 0 HB3 TRP A 7 -3.465 -2.020 9.970 1.00 0.68 H new ATOM 0 HD1 TRP A 7 -6.370 -0.299 8.362 1.00 0.73 H new ATOM 0 HE1 TRP A 7 -6.197 2.248 8.669 1.00 1.03 H new ATOM 0 HE3 TRP A 7 -1.509 -0.003 9.958 1.00 1.05 H new ATOM 0 HZ2 TRP A 7 -4.200 4.164 9.488 1.00 1.60 H new ATOM 0 HZ3 TRP A 7 -0.491 2.197 10.449 1.00 1.45 H new ATOM 0 HH2 TRP A 7 -1.825 4.278 10.246 1.00 1.72 H new ATOM 101 N VAL A 8 -5.003 -2.833 6.141 1.00 0.67 N ATOM 102 CA VAL A 8 -5.873 -2.501 4.989 1.00 0.76 C ATOM 103 C VAL A 8 -7.064 -1.667 5.485 1.00 0.78 C ATOM 104 O VAL A 8 -7.618 -2.002 6.526 1.00 0.78 O ATOM 105 CB VAL A 8 -6.337 -3.749 4.201 1.00 1.01 C ATOM 106 CG1 VAL A 8 -7.041 -3.341 2.899 1.00 1.34 C ATOM 107 CG2 VAL A 8 -5.166 -4.689 3.862 1.00 0.95 C ATOM 0 H VAL A 8 -5.239 -3.712 6.602 1.00 0.67 H new ATOM 0 HA VAL A 8 -5.288 -1.916 4.280 1.00 0.76 H new ATOM 0 HB VAL A 8 -7.033 -4.283 4.847 1.00 1.01 H new ATOM 0 HG11 VAL A 8 -7.358 -4.235 2.362 1.00 1.34 H new ATOM 0 HG12 VAL A 8 -7.912 -2.729 3.133 1.00 1.34 H new ATOM 0 HG13 VAL A 8 -6.353 -2.769 2.277 1.00 1.34 H new ATOM 0 HG21 VAL A 8 -5.540 -5.551 3.309 1.00 0.95 H new ATOM 0 HG22 VAL A 8 -4.436 -4.156 3.253 1.00 0.95 H new ATOM 0 HG23 VAL A 8 -4.692 -5.027 4.784 1.00 0.95 H new ATOM 117 N ARG A 9 -7.455 -0.610 4.749 1.00 0.87 N ATOM 118 CA ARG A 9 -8.415 0.440 5.168 1.00 1.04 C ATOM 119 C ARG A 9 -9.858 -0.046 5.463 1.00 1.29 C ATOM 120 O ARG A 9 -10.697 0.769 5.845 1.00 2.86 O ATOM 121 CB ARG A 9 -8.393 1.571 4.102 1.00 1.13 C ATOM 122 CG ARG A 9 -9.256 2.801 4.453 1.00 1.44 C ATOM 123 CD ARG A 9 -9.071 4.038 3.575 1.00 2.25 C ATOM 124 NE ARG A 9 -10.020 5.069 4.026 1.00 2.45 N ATOM 125 CZ ARG A 9 -10.915 5.766 3.345 1.00 3.21 C ATOM 126 NH1 ARG A 9 -10.902 5.844 2.030 1.00 4.15 N ATOM 127 NH2 ARG A 9 -11.846 6.388 4.027 1.00 3.73 N ATOM 0 H ARG A 9 -7.098 -0.454 3.806 1.00 0.87 H new ATOM 0 HA ARG A 9 -8.080 0.806 6.138 1.00 1.04 H new ATOM 0 HB2 ARG A 9 -7.363 1.896 3.957 1.00 1.13 H new ATOM 0 HB3 ARG A 9 -8.735 1.163 3.151 1.00 1.13 H new ATOM 0 HG2 ARG A 9 -10.304 2.506 4.409 1.00 1.44 H new ATOM 0 HG3 ARG A 9 -9.046 3.081 5.485 1.00 1.44 H new ATOM 0 HD2 ARG A 9 -8.048 4.406 3.647 1.00 2.25 H new ATOM 0 HD3 ARG A 9 -9.248 3.791 2.528 1.00 2.25 H new ATOM 0 HE ARG A 9 -9.981 5.280 5.023 1.00 2.45 H new ATOM 0 HH11 ARG A 9 -10.182 5.355 1.497 1.00 4.15 H new ATOM 0 HH12 ARG A 9 -11.612 6.393 1.545 1.00 4.15 H new ATOM 0 HH21 ARG A 9 -11.861 6.324 5.045 1.00 3.73 H new ATOM 0 HH22 ARG A 9 -12.555 6.936 3.540 1.00 3.73 H new ATOM 141 N PHE A 10 -10.170 -1.331 5.237 1.00 0.86 N ATOM 142 CA PHE A 10 -11.518 -1.910 5.200 1.00 0.83 C ATOM 143 C PHE A 10 -12.272 -1.487 3.918 1.00 1.08 C ATOM 144 O PHE A 10 -11.938 -0.481 3.293 1.00 1.62 O ATOM 145 CB PHE A 10 -12.267 -1.648 6.535 1.00 0.88 C ATOM 146 CG PHE A 10 -13.694 -1.119 6.459 1.00 1.16 C ATOM 147 CD1 PHE A 10 -13.985 0.111 5.834 1.00 2.30 C ATOM 148 CD2 PHE A 10 -14.742 -1.860 7.030 1.00 1.38 C ATOM 149 CE1 PHE A 10 -15.314 0.553 5.727 1.00 2.71 C ATOM 150 CE2 PHE A 10 -16.066 -1.400 6.967 1.00 1.75 C ATOM 151 CZ PHE A 10 -16.355 -0.194 6.305 1.00 2.14 C ATOM 0 H PHE A 10 -9.448 -2.031 5.066 1.00 0.86 H new ATOM 0 HA PHE A 10 -11.451 -2.996 5.128 1.00 0.83 H new ATOM 0 HB2 PHE A 10 -12.286 -2.582 7.097 1.00 0.88 H new ATOM 0 HB3 PHE A 10 -11.678 -0.938 7.116 1.00 0.88 H new ATOM 0 HD1 PHE A 10 -13.183 0.715 5.436 1.00 2.30 H new ATOM 0 HD2 PHE A 10 -14.526 -2.796 7.524 1.00 1.38 H new ATOM 0 HE1 PHE A 10 -15.536 1.469 5.199 1.00 2.71 H new ATOM 0 HE2 PHE A 10 -16.860 -1.970 7.425 1.00 1.75 H new ATOM 0 HZ PHE A 10 -17.374 0.158 6.241 1.00 2.14 H new ATOM 161 N SER A 11 -13.313 -2.226 3.531 1.00 0.94 N ATOM 162 CA SER A 11 -14.323 -1.775 2.567 1.00 1.16 C ATOM 163 C SER A 11 -15.529 -2.732 2.540 1.00 1.14 C ATOM 164 O SER A 11 -15.334 -3.953 2.481 1.00 1.35 O ATOM 165 CB SER A 11 -13.759 -1.670 1.144 1.00 1.60 C ATOM 166 OG SER A 11 -14.676 -1.019 0.282 1.00 2.45 O ATOM 0 H SER A 11 -13.482 -3.168 3.882 1.00 0.94 H new ATOM 0 HA SER A 11 -14.637 -0.785 2.898 1.00 1.16 H new ATOM 0 HB2 SER A 11 -12.818 -1.121 1.161 1.00 1.60 H new ATOM 0 HB3 SER A 11 -13.539 -2.667 0.761 1.00 1.60 H new ATOM 0 HG SER A 11 -14.277 -0.923 -0.608 1.00 2.45 H new ATOM 172 N PRO A 12 -16.774 -2.212 2.530 1.00 1.18 N ATOM 173 CA PRO A 12 -17.972 -3.009 2.293 1.00 1.37 C ATOM 174 C PRO A 12 -18.218 -3.259 0.795 1.00 1.35 C ATOM 175 O PRO A 12 -19.139 -3.996 0.454 1.00 1.94 O ATOM 176 CB PRO A 12 -19.101 -2.175 2.903 1.00 1.63 C ATOM 177 CG PRO A 12 -18.663 -0.744 2.590 1.00 1.58 C ATOM 178 CD PRO A 12 -17.142 -0.812 2.715 1.00 1.34 C ATOM 0 HA PRO A 12 -17.891 -4.002 2.734 1.00 1.37 H new ATOM 0 HB2 PRO A 12 -20.067 -2.411 2.456 1.00 1.63 H new ATOM 0 HB3 PRO A 12 -19.197 -2.345 3.975 1.00 1.63 H new ATOM 0 HG2 PRO A 12 -18.972 -0.437 1.591 1.00 1.58 H new ATOM 0 HG3 PRO A 12 -19.093 -0.028 3.290 1.00 1.58 H new ATOM 0 HD2 PRO A 12 -16.662 -0.182 1.965 1.00 1.34 H new ATOM 0 HD3 PRO A 12 -16.816 -0.451 3.690 1.00 1.34 H new ATOM 186 N GLY A 13 -17.432 -2.629 -0.096 1.00 0.98 N ATOM 187 CA GLY A 13 -17.550 -2.727 -1.552 1.00 1.00 C ATOM 188 C GLY A 13 -16.388 -3.488 -2.213 1.00 0.86 C ATOM 189 O GLY A 13 -15.393 -3.779 -1.552 1.00 1.04 O ATOM 0 H GLY A 13 -16.670 -2.016 0.195 1.00 0.98 H new ATOM 0 HA2 GLY A 13 -18.487 -3.225 -1.800 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -17.602 -1.723 -1.973 1.00 1.00 H new ATOM 193 N PRO A 14 -16.487 -3.775 -3.529 1.00 0.89 N ATOM 194 CA PRO A 14 -15.551 -4.626 -4.278 1.00 0.97 C ATOM 195 C PRO A 14 -14.106 -4.111 -4.353 1.00 0.80 C ATOM 196 O PRO A 14 -13.214 -4.852 -4.772 1.00 0.93 O ATOM 197 CB PRO A 14 -16.140 -4.738 -5.689 1.00 1.21 C ATOM 198 CG PRO A 14 -17.079 -3.542 -5.819 1.00 1.27 C ATOM 199 CD PRO A 14 -17.580 -3.347 -4.392 1.00 1.16 C ATOM 0 HA PRO A 14 -15.460 -5.579 -3.757 1.00 0.97 H new ATOM 0 HB2 PRO A 14 -15.357 -4.710 -6.447 1.00 1.21 H new ATOM 0 HB3 PRO A 14 -16.677 -5.678 -5.820 1.00 1.21 H new ATOM 0 HG2 PRO A 14 -16.559 -2.658 -6.189 1.00 1.27 H new ATOM 0 HG3 PRO A 14 -17.897 -3.744 -6.511 1.00 1.27 H new ATOM 0 HD2 PRO A 14 -17.840 -2.305 -4.207 1.00 1.16 H new ATOM 0 HD3 PRO A 14 -18.478 -3.937 -4.208 1.00 1.16 H new ATOM 207 N ASN A 15 -13.871 -2.848 -3.994 1.00 0.66 N ATOM 208 CA ASN A 15 -12.586 -2.182 -4.043 1.00 0.57 C ATOM 209 C ASN A 15 -12.169 -1.616 -2.671 1.00 0.54 C ATOM 210 O ASN A 15 -12.989 -1.089 -1.914 1.00 0.78 O ATOM 211 CB ASN A 15 -12.715 -1.056 -5.068 1.00 0.81 C ATOM 212 CG ASN A 15 -13.373 -1.503 -6.371 1.00 2.28 C ATOM 213 OD1 ASN A 15 -14.447 -1.047 -6.722 1.00 3.20 O ATOM 214 ND2 ASN A 15 -12.787 -2.433 -7.103 1.00 3.67 N ATOM 0 H ASN A 15 -14.612 -2.240 -3.646 1.00 0.66 H new ATOM 0 HA ASN A 15 -11.810 -2.895 -4.323 1.00 0.57 H new ATOM 0 HB2 ASN A 15 -13.298 -0.243 -4.634 1.00 0.81 H new ATOM 0 HB3 ASN A 15 -11.725 -0.657 -5.287 1.00 0.81 H new ATOM 0 HD21 ASN A 15 -13.234 -2.766 -7.957 1.00 3.67 H new ATOM 0 HD22 ASN A 15 -11.888 -2.818 -6.814 1.00 3.67 H new ATOM 221 N ALA A 16 -10.865 -1.667 -2.392 1.00 0.42 N ATOM 222 CA ALA A 16 -10.223 -1.218 -1.153 1.00 0.42 C ATOM 223 C ALA A 16 -8.872 -0.515 -1.422 1.00 0.42 C ATOM 224 O ALA A 16 -8.488 -0.292 -2.569 1.00 0.41 O ATOM 225 CB ALA A 16 -10.102 -2.430 -0.209 1.00 0.45 C ATOM 0 H ALA A 16 -10.192 -2.043 -3.060 1.00 0.42 H new ATOM 0 HA ALA A 16 -10.836 -0.458 -0.669 1.00 0.42 H new ATOM 0 HB1 ALA A 16 -9.626 -2.120 0.722 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -11.095 -2.825 0.005 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -9.499 -3.203 -0.685 1.00 0.45 H new ATOM 231 N ALA A 17 -8.166 -0.129 -0.356 1.00 0.48 N ATOM 232 CA ALA A 17 -6.840 0.495 -0.363 1.00 0.50 C ATOM 233 C ALA A 17 -6.095 0.076 0.921 1.00 0.61 C ATOM 234 O ALA A 17 -6.754 -0.208 1.922 1.00 0.76 O ATOM 235 CB ALA A 17 -7.016 2.018 -0.450 1.00 0.68 C ATOM 0 H ALA A 17 -8.526 -0.251 0.591 1.00 0.48 H new ATOM 0 HA ALA A 17 -6.250 0.171 -1.221 1.00 0.50 H new ATOM 0 HB1 ALA A 17 -6.037 2.498 -0.456 1.00 0.68 H new ATOM 0 HB2 ALA A 17 -7.550 2.271 -1.366 1.00 0.68 H new ATOM 0 HB3 ALA A 17 -7.586 2.368 0.410 1.00 0.68 H new ATOM 241 N ALA A 18 -4.759 0.062 0.929 1.00 0.66 N ATOM 242 CA ALA A 18 -3.932 -0.440 2.038 1.00 0.75 C ATOM 243 C ALA A 18 -2.702 0.428 2.351 1.00 0.75 C ATOM 244 O ALA A 18 -2.074 0.981 1.444 1.00 0.72 O ATOM 245 CB ALA A 18 -3.478 -1.865 1.698 1.00 0.79 C ATOM 0 H ALA A 18 -4.205 0.408 0.145 1.00 0.66 H new ATOM 0 HA ALA A 18 -4.552 -0.413 2.934 1.00 0.75 H new ATOM 0 HB1 ALA A 18 -2.863 -2.254 2.509 1.00 0.79 H new ATOM 0 HB2 ALA A 18 -4.352 -2.503 1.566 1.00 0.79 H new ATOM 0 HB3 ALA A 18 -2.896 -1.851 0.776 1.00 0.79 H new ATOM 251 N TYR A 19 -2.339 0.483 3.637 1.00 0.79 N ATOM 252 CA TYR A 19 -1.176 1.188 4.196 1.00 0.71 C ATOM 253 C TYR A 19 -0.251 0.194 4.923 1.00 0.73 C ATOM 254 O TYR A 19 -0.740 -0.722 5.581 1.00 1.15 O ATOM 255 CB TYR A 19 -1.665 2.237 5.208 1.00 0.80 C ATOM 256 CG TYR A 19 -2.811 3.112 4.737 1.00 0.97 C ATOM 257 CD1 TYR A 19 -2.589 4.105 3.764 1.00 2.21 C ATOM 258 CD2 TYR A 19 -4.094 2.949 5.295 1.00 1.86 C ATOM 259 CE1 TYR A 19 -3.637 4.965 3.382 1.00 2.45 C ATOM 260 CE2 TYR A 19 -5.149 3.795 4.908 1.00 2.09 C ATOM 261 CZ TYR A 19 -4.917 4.817 3.964 1.00 1.70 C ATOM 262 OH TYR A 19 -5.923 5.671 3.634 1.00 2.13 O ATOM 0 H TYR A 19 -2.880 0.009 4.360 1.00 0.79 H new ATOM 0 HA TYR A 19 -0.626 1.666 3.385 1.00 0.71 H new ATOM 0 HB2 TYR A 19 -1.974 1.723 6.118 1.00 0.80 H new ATOM 0 HB3 TYR A 19 -0.825 2.879 5.474 1.00 0.80 H new ATOM 0 HD1 TYR A 19 -1.614 4.207 3.310 1.00 2.21 H new ATOM 0 HD2 TYR A 19 -4.268 2.171 6.023 1.00 1.86 H new ATOM 0 HE1 TYR A 19 -3.463 5.736 2.646 1.00 2.45 H new ATOM 0 HE2 TYR A 19 -6.133 3.662 5.332 1.00 2.09 H new ATOM 0 HH TYR A 19 -5.796 5.987 2.715 1.00 2.13 H new ATOM 272 N LEU A 20 1.074 0.372 4.857 1.00 1.30 N ATOM 273 CA LEU A 20 2.035 -0.586 5.431 1.00 1.29 C ATOM 274 C LEU A 20 3.483 -0.103 5.434 1.00 1.08 C ATOM 275 O LEU A 20 3.896 0.667 4.566 1.00 0.89 O ATOM 276 CB LEU A 20 1.907 -1.974 4.755 1.00 1.35 C ATOM 277 CG LEU A 20 2.183 -1.951 3.236 1.00 1.32 C ATOM 278 CD1 LEU A 20 3.597 -2.438 2.929 1.00 1.60 C ATOM 279 CD2 LEU A 20 1.186 -2.834 2.486 1.00 2.03 C ATOM 0 H LEU A 20 1.511 1.177 4.408 1.00 1.30 H new ATOM 0 HA LEU A 20 1.762 -0.676 6.482 1.00 1.29 H new ATOM 0 HB2 LEU A 20 2.602 -2.666 5.231 1.00 1.35 H new ATOM 0 HB3 LEU A 20 0.903 -2.361 4.927 1.00 1.35 H new ATOM 0 HG LEU A 20 2.075 -0.918 2.905 1.00 1.32 H new ATOM 0 HD11 LEU A 20 3.765 -2.412 1.852 1.00 1.60 H new ATOM 0 HD12 LEU A 20 4.320 -1.791 3.425 1.00 1.60 H new ATOM 0 HD13 LEU A 20 3.716 -3.460 3.290 1.00 1.60 H new ATOM 0 HD21 LEU A 20 1.402 -2.801 1.418 1.00 2.03 H new ATOM 0 HD22 LEU A 20 1.270 -3.861 2.841 1.00 2.03 H new ATOM 0 HD23 LEU A 20 0.174 -2.471 2.663 1.00 2.03 H new ATOM 291 N THR A 21 4.245 -0.604 6.409 1.00 1.27 N ATOM 292 CA THR A 21 5.685 -0.399 6.564 1.00 1.17 C ATOM 293 C THR A 21 6.477 -1.302 5.630 1.00 1.23 C ATOM 294 O THR A 21 6.129 -2.451 5.367 1.00 1.45 O ATOM 295 CB THR A 21 6.093 -0.575 8.031 1.00 1.30 C ATOM 296 OG1 THR A 21 5.582 0.549 8.701 1.00 1.96 O ATOM 297 CG2 THR A 21 7.598 -0.583 8.296 1.00 1.74 C ATOM 0 H THR A 21 3.855 -1.191 7.146 1.00 1.27 H new ATOM 0 HA THR A 21 5.924 0.625 6.278 1.00 1.17 H new ATOM 0 HB THR A 21 5.715 -1.544 8.358 1.00 1.30 H new ATOM 0 HG1 THR A 21 4.648 0.386 8.948 1.00 1.96 H new ATOM 0 HG21 THR A 21 7.779 -0.713 9.363 1.00 1.74 H new ATOM 0 HG22 THR A 21 8.060 -1.404 7.747 1.00 1.74 H new ATOM 0 HG23 THR A 21 8.030 0.362 7.967 1.00 1.74 H new ATOM 305 N LEU A 22 7.571 -0.719 5.165 1.00 1.33 N ATOM 306 CA LEU A 22 8.696 -1.300 4.447 1.00 1.60 C ATOM 307 C LEU A 22 9.938 -1.158 5.320 1.00 1.26 C ATOM 308 O LEU A 22 10.301 -0.043 5.709 1.00 1.26 O ATOM 309 CB LEU A 22 8.953 -0.483 3.161 1.00 2.24 C ATOM 310 CG LEU A 22 8.159 -0.861 1.906 1.00 2.90 C ATOM 311 CD1 LEU A 22 8.731 -2.158 1.341 1.00 3.20 C ATOM 312 CD2 LEU A 22 6.659 -1.000 2.164 1.00 3.54 C ATOM 0 H LEU A 22 7.707 0.283 5.296 1.00 1.33 H new ATOM 0 HA LEU A 22 8.484 -2.342 4.209 1.00 1.60 H new ATOM 0 HB2 LEU A 22 8.750 0.565 3.383 1.00 2.24 H new ATOM 0 HB3 LEU A 22 10.014 -0.559 2.922 1.00 2.24 H new ATOM 0 HG LEU A 22 8.262 -0.050 1.185 1.00 2.90 H new ATOM 0 HD11 LEU A 22 8.176 -2.441 0.446 1.00 3.20 H new ATOM 0 HD12 LEU A 22 9.781 -2.012 1.086 1.00 3.20 H new ATOM 0 HD13 LEU A 22 8.645 -2.949 2.086 1.00 3.20 H new ATOM 0 HD21 LEU A 22 6.154 -1.269 1.236 1.00 3.54 H new ATOM 0 HD22 LEU A 22 6.488 -1.778 2.909 1.00 3.54 H new ATOM 0 HD23 LEU A 22 6.264 -0.053 2.531 1.00 3.54 H new ATOM 324 N GLU A 23 10.635 -2.258 5.557 1.00 1.18 N ATOM 325 CA GLU A 23 11.962 -2.288 6.153 1.00 1.06 C ATOM 326 C GLU A 23 12.954 -2.914 5.170 1.00 1.04 C ATOM 327 O GLU A 23 12.767 -4.026 4.672 1.00 1.28 O ATOM 328 CB GLU A 23 11.988 -3.050 7.496 1.00 1.30 C ATOM 329 CG GLU A 23 10.724 -2.914 8.370 1.00 2.34 C ATOM 330 CD GLU A 23 9.609 -3.903 7.997 1.00 3.24 C ATOM 331 OE1 GLU A 23 9.660 -4.474 6.888 1.00 4.24 O ATOM 332 OE2 GLU A 23 8.775 -4.198 8.875 1.00 4.00 O ATOM 0 H GLU A 23 10.280 -3.187 5.332 1.00 1.18 H new ATOM 0 HA GLU A 23 12.250 -1.259 6.366 1.00 1.06 H new ATOM 0 HB2 GLU A 23 12.151 -4.108 7.289 1.00 1.30 H new ATOM 0 HB3 GLU A 23 12.845 -2.702 8.073 1.00 1.30 H new ATOM 0 HG2 GLU A 23 10.997 -3.064 9.415 1.00 2.34 H new ATOM 0 HG3 GLU A 23 10.340 -1.897 8.284 1.00 2.34 H new ATOM 339 N ASN A 24 14.050 -2.203 4.917 1.00 0.90 N ATOM 340 CA ASN A 24 15.183 -2.713 4.167 1.00 0.90 C ATOM 341 C ASN A 24 16.301 -3.141 5.128 1.00 0.94 C ATOM 342 O ASN A 24 17.130 -2.316 5.512 1.00 0.95 O ATOM 343 CB ASN A 24 15.664 -1.636 3.183 1.00 0.89 C ATOM 344 CG ASN A 24 16.591 -2.230 2.134 1.00 0.89 C ATOM 345 OD1 ASN A 24 16.928 -3.411 2.153 1.00 1.43 O ATOM 346 ND2 ASN A 24 16.990 -1.425 1.173 1.00 0.84 N ATOM 0 H ASN A 24 14.173 -1.242 5.235 1.00 0.90 H new ATOM 0 HA ASN A 24 14.887 -3.593 3.596 1.00 0.90 H new ATOM 0 HB2 ASN A 24 14.805 -1.175 2.695 1.00 0.89 H new ATOM 0 HB3 ASN A 24 16.183 -0.847 3.727 1.00 0.89 H new ATOM 0 HD21 ASN A 24 17.589 -1.779 0.427 1.00 0.84 H new ATOM 0 HD22 ASN A 24 16.700 -0.447 1.174 1.00 0.84 H new ATOM 353 N PRO A 25 16.372 -4.421 5.537 1.00 1.06 N ATOM 354 CA PRO A 25 17.489 -4.918 6.332 1.00 1.11 C ATOM 355 C PRO A 25 18.758 -5.154 5.501 1.00 1.02 C ATOM 356 O PRO A 25 19.810 -5.408 6.087 1.00 1.08 O ATOM 357 CB PRO A 25 16.971 -6.223 6.945 1.00 1.31 C ATOM 358 CG PRO A 25 16.008 -6.740 5.876 1.00 1.36 C ATOM 359 CD PRO A 25 15.366 -5.457 5.365 1.00 1.23 C ATOM 0 HA PRO A 25 17.793 -4.190 7.084 1.00 1.11 H new ATOM 0 HB2 PRO A 25 17.779 -6.929 7.137 1.00 1.31 H new ATOM 0 HB3 PRO A 25 16.466 -6.051 7.895 1.00 1.31 H new ATOM 0 HG2 PRO A 25 16.531 -7.276 5.084 1.00 1.36 H new ATOM 0 HG3 PRO A 25 15.270 -7.426 6.292 1.00 1.36 H new ATOM 0 HD2 PRO A 25 15.077 -5.553 4.318 1.00 1.23 H new ATOM 0 HD3 PRO A 25 14.461 -5.221 5.925 1.00 1.23 H new ATOM 367 N GLY A 26 18.685 -5.071 4.165 1.00 0.97 N ATOM 368 CA GLY A 26 19.810 -5.269 3.267 1.00 0.98 C ATOM 369 C GLY A 26 20.594 -3.984 3.059 1.00 0.92 C ATOM 370 O GLY A 26 20.132 -2.878 3.315 1.00 1.23 O ATOM 0 H GLY A 26 17.816 -4.858 3.676 1.00 0.97 H new ATOM 0 HA2 GLY A 26 20.469 -6.036 3.673 1.00 0.98 H new ATOM 0 HA3 GLY A 26 19.449 -5.635 2.306 1.00 0.98 H new ATOM 374 N ASP A 27 21.806 -4.178 2.566 1.00 1.00 N ATOM 375 CA ASP A 27 22.887 -3.208 2.410 1.00 1.30 C ATOM 376 C ASP A 27 22.903 -2.581 1.002 1.00 1.23 C ATOM 377 O ASP A 27 23.744 -1.757 0.650 1.00 1.39 O ATOM 378 CB ASP A 27 24.162 -3.995 2.710 1.00 1.69 C ATOM 379 CG ASP A 27 24.168 -4.485 4.163 1.00 2.18 C ATOM 380 OD1 ASP A 27 23.514 -5.517 4.442 1.00 2.81 O ATOM 381 OD2 ASP A 27 24.646 -3.759 5.060 1.00 2.99 O ATOM 0 H ASP A 27 22.088 -5.100 2.234 1.00 1.00 H new ATOM 0 HA ASP A 27 22.772 -2.358 3.082 1.00 1.30 H new ATOM 0 HB2 ASP A 27 24.237 -4.846 2.034 1.00 1.69 H new ATOM 0 HB3 ASP A 27 25.034 -3.367 2.529 1.00 1.69 H new ATOM 386 N LEU A 28 21.904 -2.979 0.221 1.00 1.03 N ATOM 387 CA LEU A 28 21.544 -2.528 -1.113 1.00 0.94 C ATOM 388 C LEU A 28 20.096 -1.999 -1.109 1.00 0.82 C ATOM 389 O LEU A 28 19.301 -2.413 -0.258 1.00 0.80 O ATOM 390 CB LEU A 28 21.808 -3.699 -2.074 1.00 1.06 C ATOM 391 CG LEU A 28 20.954 -4.975 -1.883 1.00 1.56 C ATOM 392 CD1 LEU A 28 19.595 -4.917 -2.602 1.00 1.98 C ATOM 393 CD2 LEU A 28 21.723 -6.190 -2.425 1.00 1.96 C ATOM 0 H LEU A 28 21.261 -3.702 0.544 1.00 1.03 H new ATOM 0 HA LEU A 28 22.145 -1.685 -1.455 1.00 0.94 H new ATOM 0 HB2 LEU A 28 21.658 -3.341 -3.092 1.00 1.06 H new ATOM 0 HB3 LEU A 28 22.858 -3.979 -1.986 1.00 1.06 H new ATOM 0 HG LEU A 28 20.762 -5.056 -0.813 1.00 1.56 H new ATOM 0 HD11 LEU A 28 19.050 -5.844 -2.425 1.00 1.98 H new ATOM 0 HD12 LEU A 28 19.016 -4.077 -2.219 1.00 1.98 H new ATOM 0 HD13 LEU A 28 19.755 -4.789 -3.673 1.00 1.98 H new ATOM 0 HD21 LEU A 28 21.123 -7.090 -2.291 1.00 1.96 H new ATOM 0 HD22 LEU A 28 21.930 -6.046 -3.485 1.00 1.96 H new ATOM 0 HD23 LEU A 28 22.663 -6.297 -1.883 1.00 1.96 H new ATOM 405 N PRO A 29 19.723 -1.089 -2.026 1.00 0.81 N ATOM 406 CA PRO A 29 18.430 -0.419 -1.991 1.00 0.77 C ATOM 407 C PRO A 29 17.312 -1.355 -2.468 1.00 0.78 C ATOM 408 O PRO A 29 17.511 -2.191 -3.352 1.00 0.86 O ATOM 409 CB PRO A 29 18.588 0.814 -2.883 1.00 0.77 C ATOM 410 CG PRO A 29 19.642 0.382 -3.904 1.00 0.82 C ATOM 411 CD PRO A 29 20.520 -0.618 -3.146 1.00 0.86 C ATOM 0 HA PRO A 29 18.142 -0.128 -0.981 1.00 0.77 H new ATOM 0 HB2 PRO A 29 17.648 1.084 -3.365 1.00 0.77 H new ATOM 0 HB3 PRO A 29 18.914 1.683 -2.312 1.00 0.77 H new ATOM 0 HG2 PRO A 29 19.182 -0.077 -4.779 1.00 0.82 H new ATOM 0 HG3 PRO A 29 20.224 1.233 -4.258 1.00 0.82 H new ATOM 0 HD2 PRO A 29 20.813 -1.446 -3.791 1.00 0.86 H new ATOM 0 HD3 PRO A 29 21.438 -0.145 -2.799 1.00 0.86 H new ATOM 419 N LEU A 30 16.120 -1.189 -1.893 1.00 0.74 N ATOM 420 CA LEU A 30 14.894 -1.832 -2.359 1.00 0.72 C ATOM 421 C LEU A 30 14.021 -0.839 -3.098 1.00 0.71 C ATOM 422 O LEU A 30 13.925 0.337 -2.756 1.00 0.76 O ATOM 423 CB LEU A 30 14.084 -2.436 -1.200 1.00 0.74 C ATOM 424 CG LEU A 30 14.692 -3.733 -0.660 1.00 0.81 C ATOM 425 CD1 LEU A 30 14.032 -4.106 0.674 1.00 1.95 C ATOM 426 CD2 LEU A 30 14.560 -4.926 -1.619 1.00 1.25 C ATOM 0 H LEU A 30 15.979 -0.594 -1.077 1.00 0.74 H new ATOM 0 HA LEU A 30 15.196 -2.637 -3.029 1.00 0.72 H new ATOM 0 HB2 LEU A 30 14.018 -1.708 -0.392 1.00 0.74 H new ATOM 0 HB3 LEU A 30 13.066 -2.631 -1.538 1.00 0.74 H new ATOM 0 HG LEU A 30 15.756 -3.532 -0.535 1.00 0.81 H new ATOM 0 HD11 LEU A 30 14.470 -5.030 1.051 1.00 1.95 H new ATOM 0 HD12 LEU A 30 14.194 -3.306 1.396 1.00 1.95 H new ATOM 0 HD13 LEU A 30 12.962 -4.247 0.523 1.00 1.95 H new ATOM 0 HD21 LEU A 30 15.014 -5.808 -1.167 1.00 1.25 H new ATOM 0 HD22 LEU A 30 13.506 -5.120 -1.815 1.00 1.25 H new ATOM 0 HD23 LEU A 30 15.067 -4.697 -2.556 1.00 1.25 H new ATOM 438 N ARG A 31 13.317 -1.404 -4.067 1.00 0.67 N ATOM 439 CA ARG A 31 12.436 -0.687 -4.990 1.00 0.63 C ATOM 440 C ARG A 31 11.127 -1.443 -5.183 1.00 0.60 C ATOM 441 O ARG A 31 11.083 -2.436 -5.910 1.00 0.59 O ATOM 442 CB ARG A 31 13.157 -0.448 -6.320 1.00 0.65 C ATOM 443 CG ARG A 31 12.351 0.522 -7.204 1.00 0.70 C ATOM 444 CD ARG A 31 13.170 1.086 -8.370 1.00 0.65 C ATOM 445 NE ARG A 31 14.306 1.866 -7.855 1.00 1.39 N ATOM 446 CZ ARG A 31 15.473 2.136 -8.412 1.00 1.25 C ATOM 447 NH1 ARG A 31 15.735 1.875 -9.678 1.00 1.57 N ATOM 448 NH2 ARG A 31 16.413 2.674 -7.669 1.00 2.26 N ATOM 0 H ARG A 31 13.341 -2.409 -4.242 1.00 0.67 H new ATOM 0 HA ARG A 31 12.186 0.284 -4.564 1.00 0.63 H new ATOM 0 HB2 ARG A 31 14.150 -0.040 -6.134 1.00 0.65 H new ATOM 0 HB3 ARG A 31 13.295 -1.395 -6.841 1.00 0.65 H new ATOM 0 HG2 ARG A 31 11.476 0.005 -7.598 1.00 0.70 H new ATOM 0 HG3 ARG A 31 11.986 1.346 -6.591 1.00 0.70 H new ATOM 0 HD2 ARG A 31 13.532 0.272 -8.998 1.00 0.65 H new ATOM 0 HD3 ARG A 31 12.539 1.717 -8.997 1.00 0.65 H new ATOM 0 HE ARG A 31 14.172 2.259 -6.923 1.00 1.39 H new ATOM 0 HH11 ARG A 31 15.022 1.448 -10.269 1.00 1.57 H new ATOM 0 HH12 ARG A 31 16.651 2.101 -10.066 1.00 1.57 H new ATOM 0 HH21 ARG A 31 16.233 2.874 -6.685 1.00 2.26 H new ATOM 0 HH22 ARG A 31 17.323 2.892 -8.076 1.00 2.26 H new ATOM 462 N LEU A 32 10.085 -1.027 -4.477 1.00 0.64 N ATOM 463 CA LEU A 32 8.783 -1.686 -4.411 1.00 0.65 C ATOM 464 C LEU A 32 7.955 -1.316 -5.640 1.00 0.62 C ATOM 465 O LEU A 32 7.462 -0.197 -5.716 1.00 0.64 O ATOM 466 CB LEU A 32 8.130 -1.226 -3.103 1.00 0.67 C ATOM 467 CG LEU A 32 6.710 -1.769 -2.848 1.00 0.72 C ATOM 468 CD1 LEU A 32 6.745 -3.264 -2.504 1.00 1.52 C ATOM 469 CD2 LEU A 32 6.097 -0.959 -1.700 1.00 2.00 C ATOM 0 H LEU A 32 10.124 -0.182 -3.907 1.00 0.64 H new ATOM 0 HA LEU A 32 8.867 -2.773 -4.415 1.00 0.65 H new ATOM 0 HB2 LEU A 32 8.770 -1.524 -2.272 1.00 0.67 H new ATOM 0 HB3 LEU A 32 8.091 -0.137 -3.100 1.00 0.67 H new ATOM 0 HG LEU A 32 6.104 -1.665 -3.748 1.00 0.72 H new ATOM 0 HD11 LEU A 32 5.730 -3.621 -2.329 1.00 1.52 H new ATOM 0 HD12 LEU A 32 7.187 -3.818 -3.333 1.00 1.52 H new ATOM 0 HD13 LEU A 32 7.343 -3.417 -1.606 1.00 1.52 H new ATOM 0 HD21 LEU A 32 5.089 -1.321 -1.496 1.00 2.00 H new ATOM 0 HD22 LEU A 32 6.711 -1.072 -0.806 1.00 2.00 H new ATOM 0 HD23 LEU A 32 6.054 0.094 -1.980 1.00 2.00 H new ATOM 481 N VAL A 33 7.795 -2.249 -6.575 1.00 0.62 N ATOM 482 CA VAL A 33 7.104 -2.040 -7.865 1.00 0.61 C ATOM 483 C VAL A 33 5.652 -2.558 -7.839 1.00 0.67 C ATOM 484 O VAL A 33 4.836 -2.170 -8.671 1.00 0.70 O ATOM 485 CB VAL A 33 7.861 -2.732 -9.032 1.00 0.65 C ATOM 486 CG1 VAL A 33 9.259 -2.129 -9.259 1.00 0.53 C ATOM 487 CG2 VAL A 33 8.047 -4.252 -8.839 1.00 0.81 C ATOM 0 H VAL A 33 8.148 -3.199 -6.463 1.00 0.62 H new ATOM 0 HA VAL A 33 7.089 -0.962 -8.027 1.00 0.61 H new ATOM 0 HB VAL A 33 7.219 -2.557 -9.896 1.00 0.65 H new ATOM 0 HG11 VAL A 33 9.748 -2.646 -10.085 1.00 0.53 H new ATOM 0 HG12 VAL A 33 9.164 -1.070 -9.499 1.00 0.53 H new ATOM 0 HG13 VAL A 33 9.856 -2.244 -8.354 1.00 0.53 H new ATOM 0 HG21 VAL A 33 8.583 -4.664 -9.694 1.00 0.81 H new ATOM 0 HG22 VAL A 33 8.618 -4.436 -7.929 1.00 0.81 H new ATOM 0 HG23 VAL A 33 7.071 -4.731 -8.758 1.00 0.81 H new ATOM 497 N GLY A 34 5.339 -3.474 -6.908 1.00 0.70 N ATOM 498 CA GLY A 34 4.044 -4.157 -6.802 1.00 0.74 C ATOM 499 C GLY A 34 3.742 -4.755 -5.430 1.00 0.74 C ATOM 500 O GLY A 34 4.550 -4.698 -4.501 1.00 0.74 O ATOM 0 H GLY A 34 6.001 -3.767 -6.189 1.00 0.70 H new ATOM 0 HA2 GLY A 34 3.255 -3.449 -7.055 1.00 0.74 H new ATOM 0 HA3 GLY A 34 4.008 -4.954 -7.545 1.00 0.74 H new ATOM 504 N ALA A 35 2.593 -5.421 -5.367 1.00 0.74 N ATOM 505 CA ALA A 35 2.131 -6.255 -4.262 1.00 0.72 C ATOM 506 C ALA A 35 1.345 -7.478 -4.779 1.00 0.70 C ATOM 507 O ALA A 35 1.205 -7.665 -5.986 1.00 0.74 O ATOM 508 CB ALA A 35 1.299 -5.372 -3.317 1.00 0.65 C ATOM 0 H ALA A 35 1.919 -5.391 -6.132 1.00 0.74 H new ATOM 0 HA ALA A 35 2.978 -6.663 -3.710 1.00 0.72 H new ATOM 0 HB1 ALA A 35 0.940 -5.972 -2.480 1.00 0.65 H new ATOM 0 HB2 ALA A 35 1.918 -4.558 -2.941 1.00 0.65 H new ATOM 0 HB3 ALA A 35 0.448 -4.960 -3.859 1.00 0.65 H new ATOM 514 N ARG A 36 0.821 -8.288 -3.856 1.00 0.68 N ATOM 515 CA ARG A 36 -0.307 -9.225 -4.038 1.00 0.67 C ATOM 516 C ARG A 36 -1.090 -9.293 -2.713 1.00 0.72 C ATOM 517 O ARG A 36 -0.700 -8.645 -1.742 1.00 0.88 O ATOM 518 CB ARG A 36 0.119 -10.650 -4.463 1.00 0.88 C ATOM 519 CG ARG A 36 1.228 -10.767 -5.519 1.00 1.54 C ATOM 520 CD ARG A 36 1.458 -12.242 -5.874 1.00 1.93 C ATOM 521 NE ARG A 36 2.670 -12.413 -6.695 1.00 3.51 N ATOM 522 CZ ARG A 36 3.867 -12.793 -6.257 1.00 5.05 C ATOM 523 NH1 ARG A 36 4.101 -13.123 -5.005 1.00 5.44 N ATOM 524 NH2 ARG A 36 4.876 -12.825 -7.100 1.00 6.65 N ATOM 0 H ARG A 36 1.189 -8.314 -2.905 1.00 0.68 H new ATOM 0 HA ARG A 36 -0.919 -8.843 -4.855 1.00 0.67 H new ATOM 0 HB2 ARG A 36 0.445 -11.185 -3.571 1.00 0.88 H new ATOM 0 HB3 ARG A 36 -0.763 -11.167 -4.841 1.00 0.88 H new ATOM 0 HG2 ARG A 36 0.951 -10.208 -6.413 1.00 1.54 H new ATOM 0 HG3 ARG A 36 2.151 -10.327 -5.140 1.00 1.54 H new ATOM 0 HD2 ARG A 36 1.550 -12.828 -4.960 1.00 1.93 H new ATOM 0 HD3 ARG A 36 0.593 -12.627 -6.414 1.00 1.93 H new ATOM 0 HE ARG A 36 2.583 -12.222 -7.693 1.00 3.51 H new ATOM 0 HH11 ARG A 36 3.346 -13.094 -4.320 1.00 5.44 H new ATOM 0 HH12 ARG A 36 5.038 -13.408 -4.719 1.00 5.44 H new ATOM 0 HH21 ARG A 36 4.735 -12.561 -8.075 1.00 6.65 H new ATOM 0 HH22 ARG A 36 5.800 -13.114 -6.779 1.00 6.65 H new ATOM 538 N THR A 37 -2.158 -10.099 -2.644 1.00 0.70 N ATOM 539 CA THR A 37 -2.999 -10.366 -1.458 1.00 0.75 C ATOM 540 C THR A 37 -4.018 -11.449 -1.825 1.00 0.75 C ATOM 541 O THR A 37 -4.362 -11.530 -3.005 1.00 0.69 O ATOM 542 CB THR A 37 -3.656 -9.074 -0.935 1.00 0.74 C ATOM 543 OG1 THR A 37 -4.620 -9.354 0.041 1.00 0.82 O ATOM 544 CG2 THR A 37 -4.360 -8.251 -2.013 1.00 0.64 C ATOM 0 H THR A 37 -2.482 -10.616 -3.462 1.00 0.70 H new ATOM 0 HA THR A 37 -2.386 -10.732 -0.634 1.00 0.75 H new ATOM 0 HB THR A 37 -2.822 -8.498 -0.534 1.00 0.74 H new ATOM 0 HG1 THR A 37 -4.200 -9.347 0.927 1.00 0.82 H new ATOM 0 HG21 THR A 37 -4.796 -7.359 -1.563 1.00 0.64 H new ATOM 0 HG22 THR A 37 -3.639 -7.957 -2.776 1.00 0.64 H new ATOM 0 HG23 THR A 37 -5.148 -8.849 -2.470 1.00 0.64 H new ATOM 552 N PRO A 38 -4.512 -12.271 -0.879 1.00 0.84 N ATOM 553 CA PRO A 38 -5.531 -13.276 -1.180 1.00 0.81 C ATOM 554 C PRO A 38 -6.948 -12.704 -1.312 1.00 0.76 C ATOM 555 O PRO A 38 -7.866 -13.434 -1.681 1.00 0.82 O ATOM 556 CB PRO A 38 -5.429 -14.273 -0.032 1.00 0.87 C ATOM 557 CG PRO A 38 -4.974 -13.432 1.153 1.00 0.97 C ATOM 558 CD PRO A 38 -4.061 -12.392 0.506 1.00 0.99 C ATOM 0 HA PRO A 38 -5.352 -13.729 -2.155 1.00 0.81 H new ATOM 0 HB2 PRO A 38 -6.388 -14.753 0.165 1.00 0.87 H new ATOM 0 HB3 PRO A 38 -4.715 -15.066 -0.255 1.00 0.87 H new ATOM 0 HG2 PRO A 38 -5.816 -12.967 1.665 1.00 0.97 H new ATOM 0 HG3 PRO A 38 -4.443 -14.031 1.893 1.00 0.97 H new ATOM 0 HD2 PRO A 38 -4.129 -11.436 1.024 1.00 0.99 H new ATOM 0 HD3 PRO A 38 -3.018 -12.705 0.551 1.00 0.99 H new ATOM 566 N VAL A 39 -7.125 -11.411 -1.018 1.00 0.72 N ATOM 567 CA VAL A 39 -8.423 -10.701 -1.100 1.00 0.69 C ATOM 568 C VAL A 39 -8.432 -9.595 -2.167 1.00 0.62 C ATOM 569 O VAL A 39 -8.954 -8.503 -1.951 1.00 0.67 O ATOM 570 CB VAL A 39 -8.921 -10.214 0.281 1.00 0.78 C ATOM 571 CG1 VAL A 39 -9.159 -11.418 1.208 1.00 0.90 C ATOM 572 CG2 VAL A 39 -7.966 -9.198 0.930 1.00 0.87 C ATOM 0 H VAL A 39 -6.360 -10.810 -0.710 1.00 0.72 H new ATOM 0 HA VAL A 39 -9.151 -11.439 -1.437 1.00 0.69 H new ATOM 0 HB VAL A 39 -9.864 -9.691 0.123 1.00 0.78 H new ATOM 0 HG11 VAL A 39 -9.509 -11.066 2.178 1.00 0.90 H new ATOM 0 HG12 VAL A 39 -9.910 -12.074 0.767 1.00 0.90 H new ATOM 0 HG13 VAL A 39 -8.227 -11.968 1.337 1.00 0.90 H new ATOM 0 HG21 VAL A 39 -8.365 -8.890 1.897 1.00 0.87 H new ATOM 0 HG22 VAL A 39 -6.987 -9.657 1.070 1.00 0.87 H new ATOM 0 HG23 VAL A 39 -7.868 -8.326 0.283 1.00 0.87 H new ATOM 582 N ALA A 40 -7.907 -9.912 -3.356 1.00 0.60 N ATOM 583 CA ALA A 40 -8.037 -9.098 -4.569 1.00 0.57 C ATOM 584 C ALA A 40 -7.838 -9.942 -5.852 1.00 0.76 C ATOM 585 O ALA A 40 -7.444 -11.104 -5.787 1.00 1.28 O ATOM 586 CB ALA A 40 -7.028 -7.943 -4.486 1.00 0.59 C ATOM 0 H ALA A 40 -7.366 -10.764 -3.505 1.00 0.60 H new ATOM 0 HA ALA A 40 -9.048 -8.695 -4.630 1.00 0.57 H new ATOM 0 HB1 ALA A 40 -7.109 -7.325 -5.380 1.00 0.59 H new ATOM 0 HB2 ALA A 40 -7.240 -7.337 -3.605 1.00 0.59 H new ATOM 0 HB3 ALA A 40 -6.018 -8.347 -4.414 1.00 0.59 H new ATOM 592 N GLU A 41 -8.106 -9.324 -7.001 1.00 0.56 N ATOM 593 CA GLU A 41 -7.767 -9.748 -8.370 1.00 0.66 C ATOM 594 C GLU A 41 -6.592 -8.917 -8.939 1.00 0.69 C ATOM 595 O GLU A 41 -5.889 -9.349 -9.851 1.00 0.85 O ATOM 596 CB GLU A 41 -9.008 -9.520 -9.261 1.00 0.80 C ATOM 597 CG GLU A 41 -9.094 -10.445 -10.482 1.00 1.03 C ATOM 598 CD GLU A 41 -9.687 -11.791 -10.079 1.00 1.76 C ATOM 599 OE1 GLU A 41 -10.928 -11.875 -9.928 1.00 2.83 O ATOM 600 OE2 GLU A 41 -8.916 -12.715 -9.743 1.00 2.56 O ATOM 0 H GLU A 41 -8.609 -8.437 -7.005 1.00 0.56 H new ATOM 0 HA GLU A 41 -7.471 -10.797 -8.354 1.00 0.66 H new ATOM 0 HB2 GLU A 41 -9.904 -9.655 -8.655 1.00 0.80 H new ATOM 0 HB3 GLU A 41 -9.008 -8.485 -9.604 1.00 0.80 H new ATOM 0 HG2 GLU A 41 -9.710 -9.984 -11.254 1.00 1.03 H new ATOM 0 HG3 GLU A 41 -8.102 -10.589 -10.909 1.00 1.03 H new ATOM 607 N ARG A 42 -6.379 -7.704 -8.407 1.00 0.95 N ATOM 608 CA ARG A 42 -5.376 -6.729 -8.803 1.00 1.08 C ATOM 609 C ARG A 42 -4.985 -5.835 -7.618 1.00 0.92 C ATOM 610 O ARG A 42 -5.698 -5.744 -6.616 1.00 1.13 O ATOM 611 CB ARG A 42 -5.918 -5.893 -9.971 1.00 1.26 C ATOM 612 CG ARG A 42 -5.154 -6.232 -11.249 1.00 2.31 C ATOM 613 CD ARG A 42 -5.386 -5.164 -12.325 1.00 2.73 C ATOM 614 NE ARG A 42 -4.489 -5.340 -13.484 1.00 3.96 N ATOM 615 CZ ARG A 42 -3.195 -5.029 -13.537 1.00 5.45 C ATOM 616 NH1 ARG A 42 -2.536 -4.538 -12.511 1.00 6.25 N ATOM 617 NH2 ARG A 42 -2.525 -5.223 -14.653 1.00 6.59 N ATOM 0 H ARG A 42 -6.950 -7.363 -7.633 1.00 0.95 H new ATOM 0 HA ARG A 42 -4.475 -7.250 -9.127 1.00 1.08 H new ATOM 0 HB2 ARG A 42 -6.981 -6.090 -10.109 1.00 1.26 H new ATOM 0 HB3 ARG A 42 -5.817 -4.831 -9.747 1.00 1.26 H new ATOM 0 HG2 ARG A 42 -4.089 -6.309 -11.031 1.00 2.31 H new ATOM 0 HG3 ARG A 42 -5.474 -7.205 -11.622 1.00 2.31 H new ATOM 0 HD2 ARG A 42 -6.423 -5.206 -12.660 1.00 2.73 H new ATOM 0 HD3 ARG A 42 -5.230 -4.175 -11.893 1.00 2.73 H new ATOM 0 HE ARG A 42 -4.901 -5.739 -14.328 1.00 3.96 H new ATOM 0 HH11 ARG A 42 -3.016 -4.380 -11.625 1.00 6.25 H new ATOM 0 HH12 ARG A 42 -1.545 -4.315 -12.601 1.00 6.25 H new ATOM 0 HH21 ARG A 42 -2.997 -5.609 -15.471 1.00 6.59 H new ATOM 0 HH22 ARG A 42 -1.534 -4.987 -14.700 1.00 6.59 H new ATOM 631 N VAL A 43 -3.831 -5.196 -7.726 1.00 0.80 N ATOM 632 CA VAL A 43 -3.232 -4.339 -6.710 1.00 0.79 C ATOM 633 C VAL A 43 -2.258 -3.362 -7.351 1.00 1.12 C ATOM 634 O VAL A 43 -1.281 -3.750 -7.991 1.00 1.80 O ATOM 635 CB VAL A 43 -2.596 -5.155 -5.586 1.00 0.86 C ATOM 636 CG1 VAL A 43 -1.350 -5.960 -5.976 1.00 1.26 C ATOM 637 CG2 VAL A 43 -2.296 -4.297 -4.350 1.00 0.88 C ATOM 0 H VAL A 43 -3.256 -5.263 -8.566 1.00 0.80 H new ATOM 0 HA VAL A 43 -4.022 -3.752 -6.242 1.00 0.79 H new ATOM 0 HB VAL A 43 -3.363 -5.892 -5.347 1.00 0.86 H new ATOM 0 HG11 VAL A 43 -0.979 -6.501 -5.106 1.00 1.26 H new ATOM 0 HG12 VAL A 43 -1.607 -6.670 -6.762 1.00 1.26 H new ATOM 0 HG13 VAL A 43 -0.577 -5.282 -6.338 1.00 1.26 H new ATOM 0 HG21 VAL A 43 -1.845 -4.918 -3.577 1.00 0.88 H new ATOM 0 HG22 VAL A 43 -1.607 -3.497 -4.621 1.00 0.88 H new ATOM 0 HG23 VAL A 43 -3.223 -3.865 -3.973 1.00 0.88 H new ATOM 647 N GLU A 44 -2.574 -2.082 -7.208 1.00 0.68 N ATOM 648 CA GLU A 44 -1.941 -1.012 -7.978 1.00 0.68 C ATOM 649 C GLU A 44 -1.483 0.129 -7.072 1.00 0.51 C ATOM 650 O GLU A 44 -2.231 0.613 -6.224 1.00 0.89 O ATOM 651 CB GLU A 44 -2.886 -0.503 -9.076 1.00 1.00 C ATOM 652 CG GLU A 44 -2.962 -1.459 -10.276 1.00 1.83 C ATOM 653 CD GLU A 44 -3.902 -2.651 -10.076 1.00 3.37 C ATOM 654 OE1 GLU A 44 -5.128 -2.440 -10.042 1.00 3.67 O ATOM 655 OE2 GLU A 44 -3.416 -3.813 -10.064 1.00 5.00 O ATOM 0 H GLU A 44 -3.281 -1.752 -6.551 1.00 0.68 H new ATOM 0 HA GLU A 44 -1.053 -1.424 -8.458 1.00 0.68 H new ATOM 0 HB2 GLU A 44 -3.884 -0.369 -8.659 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -2.549 0.476 -9.416 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -3.288 -0.898 -11.152 1.00 1.83 H new ATOM 0 HG3 GLU A 44 -1.961 -1.833 -10.491 1.00 1.83 H new ATOM 662 N LEU A 45 -0.229 0.542 -7.251 1.00 0.63 N ATOM 663 CA LEU A 45 0.470 1.443 -6.341 1.00 0.63 C ATOM 664 C LEU A 45 0.136 2.912 -6.628 1.00 0.52 C ATOM 665 O LEU A 45 0.363 3.409 -7.734 1.00 0.53 O ATOM 666 CB LEU A 45 1.966 1.139 -6.487 1.00 0.88 C ATOM 667 CG LEU A 45 2.860 1.954 -5.542 1.00 0.78 C ATOM 668 CD1 LEU A 45 2.751 1.519 -4.075 1.00 1.06 C ATOM 669 CD2 LEU A 45 4.302 1.791 -6.010 1.00 1.40 C ATOM 0 H LEU A 45 0.338 0.253 -8.048 1.00 0.63 H new ATOM 0 HA LEU A 45 0.153 1.281 -5.311 1.00 0.63 H new ATOM 0 HB2 LEU A 45 2.131 0.077 -6.302 1.00 0.88 H new ATOM 0 HB3 LEU A 45 2.268 1.334 -7.516 1.00 0.88 H new ATOM 0 HG LEU A 45 2.531 2.992 -5.580 1.00 0.78 H new ATOM 0 HD11 LEU A 45 3.409 2.136 -3.463 1.00 1.06 H new ATOM 0 HD12 LEU A 45 1.722 1.638 -3.736 1.00 1.06 H new ATOM 0 HD13 LEU A 45 3.045 0.473 -3.983 1.00 1.06 H new ATOM 0 HD21 LEU A 45 4.963 2.360 -5.356 1.00 1.40 H new ATOM 0 HD22 LEU A 45 4.578 0.737 -5.977 1.00 1.40 H new ATOM 0 HD23 LEU A 45 4.397 2.159 -7.032 1.00 1.40 H new ATOM 681 N HIS A 46 -0.380 3.617 -5.620 1.00 0.46 N ATOM 682 CA HIS A 46 -0.830 5.009 -5.695 1.00 0.42 C ATOM 683 C HIS A 46 -0.160 5.923 -4.656 1.00 0.39 C ATOM 684 O HIS A 46 0.282 5.504 -3.583 1.00 0.44 O ATOM 685 CB HIS A 46 -2.356 5.067 -5.461 1.00 0.45 C ATOM 686 CG HIS A 46 -3.287 4.446 -6.472 1.00 0.51 C ATOM 687 ND1 HIS A 46 -4.663 4.363 -6.309 1.00 0.57 N ATOM 688 CD2 HIS A 46 -2.978 3.847 -7.657 1.00 0.59 C ATOM 689 CE1 HIS A 46 -5.150 3.708 -7.364 1.00 0.67 C ATOM 690 NE2 HIS A 46 -4.154 3.378 -8.202 1.00 0.69 N ATOM 0 H HIS A 46 -0.501 3.217 -4.689 1.00 0.46 H new ATOM 0 HA HIS A 46 -0.554 5.368 -6.686 1.00 0.42 H new ATOM 0 HB2 HIS A 46 -2.557 4.595 -4.499 1.00 0.45 H new ATOM 0 HB3 HIS A 46 -2.632 6.117 -5.365 1.00 0.45 H new ATOM 0 HD1 HIS A 46 -5.202 4.734 -5.527 1.00 0.57 H new ATOM 0 HD2 HIS A 46 -1.993 3.757 -8.089 1.00 0.59 H new ATOM 0 HE1 HIS A 46 -6.193 3.477 -7.521 1.00 0.67 H new ATOM 698 N GLU A 47 -0.237 7.213 -4.959 1.00 0.38 N ATOM 699 CA GLU A 47 -0.127 8.309 -4.007 1.00 0.48 C ATOM 700 C GLU A 47 -1.502 8.965 -3.769 1.00 0.59 C ATOM 701 O GLU A 47 -2.367 8.942 -4.653 1.00 0.85 O ATOM 702 CB GLU A 47 0.933 9.306 -4.492 1.00 0.59 C ATOM 703 CG GLU A 47 0.501 10.177 -5.670 1.00 0.72 C ATOM 704 CD GLU A 47 1.507 11.281 -5.983 1.00 1.18 C ATOM 705 OE1 GLU A 47 2.693 11.008 -6.258 1.00 2.37 O ATOM 706 OE2 GLU A 47 1.058 12.438 -6.117 1.00 2.09 O ATOM 0 H GLU A 47 -0.384 7.536 -5.915 1.00 0.38 H new ATOM 0 HA GLU A 47 0.200 7.927 -3.040 1.00 0.48 H new ATOM 0 HB2 GLU A 47 1.209 9.955 -3.661 1.00 0.59 H new ATOM 0 HB3 GLU A 47 1.829 8.753 -4.776 1.00 0.59 H new ATOM 0 HG2 GLU A 47 0.369 9.550 -6.552 1.00 0.72 H new ATOM 0 HG3 GLU A 47 -0.468 10.625 -5.450 1.00 0.72 H new ATOM 713 N THR A 48 -1.661 9.577 -2.592 1.00 0.81 N ATOM 714 CA THR A 48 -2.697 10.569 -2.259 1.00 0.80 C ATOM 715 C THR A 48 -1.980 11.901 -2.081 1.00 0.80 C ATOM 716 O THR A 48 -0.918 11.935 -1.460 1.00 0.84 O ATOM 717 CB THR A 48 -3.443 10.207 -0.967 1.00 0.88 C ATOM 718 OG1 THR A 48 -4.212 9.052 -1.183 1.00 1.04 O ATOM 719 CG2 THR A 48 -4.431 11.270 -0.486 1.00 0.92 C ATOM 0 H THR A 48 -1.042 9.387 -1.804 1.00 0.81 H new ATOM 0 HA THR A 48 -3.443 10.607 -3.053 1.00 0.80 H new ATOM 0 HB THR A 48 -2.662 10.087 -0.216 1.00 0.88 H new ATOM 0 HG1 THR A 48 -4.688 8.817 -0.359 1.00 1.04 H new ATOM 0 HG21 THR A 48 -4.912 10.931 0.431 1.00 0.92 H new ATOM 0 HG22 THR A 48 -3.898 12.201 -0.294 1.00 0.92 H new ATOM 0 HG23 THR A 48 -5.188 11.437 -1.252 1.00 0.92 H new ATOM 727 N PHE A 49 -2.567 12.979 -2.599 1.00 0.86 N ATOM 728 CA PHE A 49 -2.011 14.333 -2.581 1.00 0.93 C ATOM 729 C PHE A 49 -3.036 15.397 -2.154 1.00 0.97 C ATOM 730 O PHE A 49 -4.235 15.148 -2.031 1.00 0.95 O ATOM 731 CB PHE A 49 -1.408 14.657 -3.966 1.00 0.98 C ATOM 732 CG PHE A 49 -2.375 14.696 -5.146 1.00 0.97 C ATOM 733 CD1 PHE A 49 -3.240 15.798 -5.297 1.00 1.96 C ATOM 734 CD2 PHE A 49 -2.386 13.680 -6.125 1.00 1.90 C ATOM 735 CE1 PHE A 49 -4.114 15.890 -6.389 1.00 2.00 C ATOM 736 CE2 PHE A 49 -3.253 13.779 -7.232 1.00 1.91 C ATOM 737 CZ PHE A 49 -4.111 14.884 -7.368 1.00 1.05 C ATOM 0 H PHE A 49 -3.476 12.933 -3.060 1.00 0.86 H new ATOM 0 HA PHE A 49 -1.226 14.361 -1.826 1.00 0.93 H new ATOM 0 HB2 PHE A 49 -0.911 15.625 -3.902 1.00 0.98 H new ATOM 0 HB3 PHE A 49 -0.638 13.917 -4.183 1.00 0.98 H new ATOM 0 HD1 PHE A 49 -3.229 16.586 -4.558 1.00 1.96 H new ATOM 0 HD2 PHE A 49 -1.731 12.827 -6.026 1.00 1.90 H new ATOM 0 HE1 PHE A 49 -4.786 16.731 -6.477 1.00 2.00 H new ATOM 0 HE2 PHE A 49 -3.258 13.001 -7.981 1.00 1.91 H new ATOM 0 HZ PHE A 49 -4.766 14.959 -8.223 1.00 1.05 H new ATOM 747 N MET A 50 -2.559 16.636 -2.001 1.00 1.10 N ATOM 748 CA MET A 50 -3.364 17.847 -1.868 1.00 1.20 C ATOM 749 C MET A 50 -3.163 18.745 -3.100 1.00 1.07 C ATOM 750 O MET A 50 -2.053 18.844 -3.614 1.00 0.95 O ATOM 751 CB MET A 50 -2.948 18.564 -0.575 1.00 1.38 C ATOM 752 CG MET A 50 -3.779 19.831 -0.404 1.00 2.51 C ATOM 753 SD MET A 50 -3.588 20.681 1.179 1.00 2.85 S ATOM 754 CE MET A 50 -2.218 21.785 0.749 1.00 3.52 C ATOM 0 H MET A 50 -1.558 16.827 -1.965 1.00 1.10 H new ATOM 0 HA MET A 50 -4.424 17.601 -1.812 1.00 1.20 H new ATOM 0 HB2 MET A 50 -3.091 17.905 0.281 1.00 1.38 H new ATOM 0 HB3 MET A 50 -1.888 18.814 -0.611 1.00 1.38 H new ATOM 0 HG2 MET A 50 -3.519 20.525 -1.203 1.00 2.51 H new ATOM 0 HG3 MET A 50 -4.830 19.575 -0.534 1.00 2.51 H new ATOM 0 HE1 MET A 50 -1.958 22.396 1.614 1.00 3.52 H new ATOM 0 HE2 MET A 50 -1.353 21.192 0.450 1.00 3.52 H new ATOM 0 HE3 MET A 50 -2.517 22.432 -0.075 1.00 3.52 H new ATOM 764 N ARG A 51 -4.227 19.417 -3.558 1.00 1.13 N ATOM 765 CA ARG A 51 -4.191 20.443 -4.611 1.00 0.95 C ATOM 766 C ARG A 51 -5.087 21.642 -4.277 1.00 0.99 C ATOM 767 O ARG A 51 -6.117 21.498 -3.617 1.00 1.19 O ATOM 768 CB ARG A 51 -4.640 19.856 -5.962 1.00 1.04 C ATOM 769 CG ARG A 51 -3.445 19.358 -6.794 1.00 1.13 C ATOM 770 CD ARG A 51 -3.842 19.001 -8.232 1.00 1.88 C ATOM 771 NE ARG A 51 -4.304 20.187 -8.980 1.00 2.69 N ATOM 772 CZ ARG A 51 -4.608 20.237 -10.270 1.00 3.55 C ATOM 773 NH1 ARG A 51 -4.496 19.176 -11.050 1.00 4.03 N ATOM 774 NH2 ARG A 51 -5.039 21.378 -10.767 1.00 4.77 N ATOM 0 H ARG A 51 -5.167 19.257 -3.195 1.00 1.13 H new ATOM 0 HA ARG A 51 -3.158 20.784 -4.676 1.00 0.95 H new ATOM 0 HB2 ARG A 51 -5.331 19.031 -5.788 1.00 1.04 H new ATOM 0 HB3 ARG A 51 -5.184 20.614 -6.525 1.00 1.04 H new ATOM 0 HG2 ARG A 51 -2.673 20.128 -6.813 1.00 1.13 H new ATOM 0 HG3 ARG A 51 -3.010 18.482 -6.312 1.00 1.13 H new ATOM 0 HD2 ARG A 51 -2.990 18.556 -8.745 1.00 1.88 H new ATOM 0 HD3 ARG A 51 -4.632 18.250 -8.216 1.00 1.88 H new ATOM 0 HE ARG A 51 -4.399 21.055 -8.452 1.00 2.69 H new ATOM 0 HH11 ARG A 51 -4.169 18.291 -10.663 1.00 4.03 H new ATOM 0 HH12 ARG A 51 -4.737 19.242 -12.039 1.00 4.03 H new ATOM 0 HH21 ARG A 51 -5.132 22.195 -10.163 1.00 4.77 H new ATOM 0 HH22 ARG A 51 -5.280 21.445 -11.756 1.00 4.77 H new ATOM 788 N GLU A 52 -4.742 22.814 -4.803 1.00 0.93 N ATOM 789 CA GLU A 52 -5.590 23.981 -4.915 1.00 1.00 C ATOM 790 C GLU A 52 -6.245 24.045 -6.313 1.00 1.02 C ATOM 791 O GLU A 52 -5.607 23.665 -7.299 1.00 1.04 O ATOM 792 CB GLU A 52 -4.651 25.175 -4.722 1.00 1.11 C ATOM 793 CG GLU A 52 -5.367 26.376 -4.142 1.00 1.29 C ATOM 794 CD GLU A 52 -5.606 26.250 -2.635 1.00 1.43 C ATOM 795 OE1 GLU A 52 -4.670 25.945 -1.866 1.00 2.06 O ATOM 796 OE2 GLU A 52 -6.757 26.450 -2.199 1.00 2.20 O ATOM 0 H GLU A 52 -3.809 22.976 -5.182 1.00 0.93 H new ATOM 0 HA GLU A 52 -6.398 23.966 -4.184 1.00 1.00 H new ATOM 0 HB2 GLU A 52 -3.832 24.888 -4.062 1.00 1.11 H new ATOM 0 HB3 GLU A 52 -4.208 25.446 -5.680 1.00 1.11 H new ATOM 0 HG2 GLU A 52 -4.781 27.274 -4.339 1.00 1.29 H new ATOM 0 HG3 GLU A 52 -6.324 26.503 -4.648 1.00 1.29 H new ATOM 803 N VAL A 53 -7.472 24.567 -6.397 1.00 1.15 N ATOM 804 CA VAL A 53 -8.147 25.054 -7.618 1.00 1.32 C ATOM 805 C VAL A 53 -9.074 26.219 -7.241 1.00 1.41 C ATOM 806 O VAL A 53 -9.808 26.111 -6.267 1.00 1.63 O ATOM 807 CB VAL A 53 -8.969 23.953 -8.342 1.00 1.61 C ATOM 808 CG1 VAL A 53 -8.069 22.976 -9.121 1.00 2.26 C ATOM 809 CG2 VAL A 53 -9.901 23.139 -7.420 1.00 2.18 C ATOM 0 H VAL A 53 -8.061 24.670 -5.570 1.00 1.15 H new ATOM 0 HA VAL A 53 -7.371 25.375 -8.313 1.00 1.32 H new ATOM 0 HB VAL A 53 -9.600 24.513 -9.032 1.00 1.61 H new ATOM 0 HG11 VAL A 53 -8.687 22.224 -9.611 1.00 2.26 H new ATOM 0 HG12 VAL A 53 -7.501 23.525 -9.872 1.00 2.26 H new ATOM 0 HG13 VAL A 53 -7.381 22.487 -8.432 1.00 2.26 H new ATOM 0 HG21 VAL A 53 -10.435 22.394 -8.009 1.00 2.18 H new ATOM 0 HG22 VAL A 53 -9.309 22.639 -6.654 1.00 2.18 H new ATOM 0 HG23 VAL A 53 -10.618 23.808 -6.945 1.00 2.18 H new ATOM 819 N GLU A 54 -9.009 27.351 -7.955 1.00 1.61 N ATOM 820 CA GLU A 54 -9.829 28.567 -7.723 1.00 1.73 C ATOM 821 C GLU A 54 -9.594 29.244 -6.346 1.00 1.61 C ATOM 822 O GLU A 54 -10.416 30.036 -5.894 1.00 1.76 O ATOM 823 CB GLU A 54 -11.338 28.287 -7.912 1.00 1.97 C ATOM 824 CG GLU A 54 -11.772 27.640 -9.238 1.00 2.41 C ATOM 825 CD GLU A 54 -13.170 27.042 -9.070 1.00 2.74 C ATOM 826 OE1 GLU A 54 -14.107 27.777 -8.678 1.00 3.35 O ATOM 827 OE2 GLU A 54 -13.296 25.797 -9.094 1.00 3.34 O ATOM 0 H GLU A 54 -8.365 27.458 -8.739 1.00 1.61 H new ATOM 0 HA GLU A 54 -9.489 29.271 -8.483 1.00 1.73 H new ATOM 0 HB2 GLU A 54 -11.666 27.641 -7.098 1.00 1.97 H new ATOM 0 HB3 GLU A 54 -11.873 29.231 -7.806 1.00 1.97 H new ATOM 0 HG2 GLU A 54 -11.774 28.383 -10.036 1.00 2.41 H new ATOM 0 HG3 GLU A 54 -11.063 26.864 -9.527 1.00 2.41 H new ATOM 834 N GLY A 55 -8.501 28.909 -5.648 1.00 1.45 N ATOM 835 CA GLY A 55 -8.271 29.305 -4.242 1.00 1.50 C ATOM 836 C GLY A 55 -8.964 28.391 -3.221 1.00 1.49 C ATOM 837 O GLY A 55 -9.126 28.759 -2.059 1.00 1.68 O ATOM 0 H GLY A 55 -7.743 28.352 -6.041 1.00 1.45 H new ATOM 0 HA2 GLY A 55 -7.199 29.307 -4.045 1.00 1.50 H new ATOM 0 HA3 GLY A 55 -8.623 30.327 -4.099 1.00 1.50 H new ATOM 841 N LYS A 56 -9.377 27.199 -3.660 1.00 1.43 N ATOM 842 CA LYS A 56 -10.059 26.168 -2.887 1.00 1.58 C ATOM 843 C LYS A 56 -9.183 24.909 -2.896 1.00 1.46 C ATOM 844 O LYS A 56 -8.842 24.364 -3.951 1.00 1.35 O ATOM 845 CB LYS A 56 -11.448 25.853 -3.488 1.00 1.81 C ATOM 846 CG LYS A 56 -12.289 27.093 -3.858 1.00 2.15 C ATOM 847 CD LYS A 56 -13.638 26.758 -4.519 1.00 2.49 C ATOM 848 CE LYS A 56 -13.459 25.832 -5.733 1.00 3.29 C ATOM 849 NZ LYS A 56 -14.548 25.962 -6.724 1.00 3.46 N ATOM 0 H LYS A 56 -9.232 26.914 -4.629 1.00 1.43 H new ATOM 0 HA LYS A 56 -10.214 26.518 -1.867 1.00 1.58 H new ATOM 0 HB2 LYS A 56 -11.312 25.244 -4.382 1.00 1.81 H new ATOM 0 HB3 LYS A 56 -12.009 25.251 -2.774 1.00 1.81 H new ATOM 0 HG2 LYS A 56 -12.473 27.677 -2.956 1.00 2.15 H new ATOM 0 HG3 LYS A 56 -11.711 27.723 -4.534 1.00 2.15 H new ATOM 0 HD2 LYS A 56 -14.292 26.280 -3.790 1.00 2.49 H new ATOM 0 HD3 LYS A 56 -14.129 27.679 -4.833 1.00 2.49 H new ATOM 0 HE2 LYS A 56 -12.507 26.055 -6.216 1.00 3.29 H new ATOM 0 HE3 LYS A 56 -13.408 24.798 -5.390 1.00 3.29 H new ATOM 0 HZ1 LYS A 56 -14.307 25.419 -7.578 1.00 3.46 H new ATOM 0 HZ2 LYS A 56 -15.432 25.595 -6.318 1.00 3.46 H new ATOM 0 HZ3 LYS A 56 -14.672 26.964 -6.975 1.00 3.46 H new ATOM 863 N LYS A 57 -8.809 24.439 -1.714 1.00 1.55 N ATOM 864 CA LYS A 57 -7.959 23.271 -1.512 1.00 1.52 C ATOM 865 C LYS A 57 -8.784 21.991 -1.339 1.00 1.43 C ATOM 866 O LYS A 57 -9.713 21.940 -0.541 1.00 1.48 O ATOM 867 CB LYS A 57 -6.949 23.538 -0.387 1.00 1.59 C ATOM 868 CG LYS A 57 -7.531 23.970 0.970 1.00 2.09 C ATOM 869 CD LYS A 57 -6.470 24.673 1.836 1.00 2.25 C ATOM 870 CE LYS A 57 -6.447 26.209 1.702 1.00 2.93 C ATOM 871 NZ LYS A 57 -6.021 26.715 0.369 1.00 3.69 N ATOM 0 H LYS A 57 -9.098 24.875 -0.838 1.00 1.55 H new ATOM 0 HA LYS A 57 -7.370 23.094 -2.412 1.00 1.52 H new ATOM 0 HB2 LYS A 57 -6.362 22.633 -0.234 1.00 1.59 H new ATOM 0 HB3 LYS A 57 -6.259 24.312 -0.724 1.00 1.59 H new ATOM 0 HG2 LYS A 57 -8.375 24.641 0.809 1.00 2.09 H new ATOM 0 HG3 LYS A 57 -7.914 23.097 1.498 1.00 2.09 H new ATOM 0 HD2 LYS A 57 -6.644 24.415 2.881 1.00 2.25 H new ATOM 0 HD3 LYS A 57 -5.487 24.284 1.571 1.00 2.25 H new ATOM 0 HE2 LYS A 57 -7.444 26.593 1.919 1.00 2.93 H new ATOM 0 HE3 LYS A 57 -5.777 26.615 2.460 1.00 2.93 H new ATOM 0 HZ1 LYS A 57 -5.839 27.737 0.428 1.00 3.69 H new ATOM 0 HZ2 LYS A 57 -5.152 26.225 0.073 1.00 3.69 H new ATOM 0 HZ3 LYS A 57 -6.773 26.536 -0.327 1.00 3.69 H new ATOM 885 N VAL A 58 -8.433 20.982 -2.128 1.00 1.40 N ATOM 886 CA VAL A 58 -9.114 19.684 -2.270 1.00 1.41 C ATOM 887 C VAL A 58 -8.054 18.593 -2.474 1.00 1.47 C ATOM 888 O VAL A 58 -7.038 18.829 -3.126 1.00 1.94 O ATOM 889 CB VAL A 58 -10.114 19.689 -3.462 1.00 1.52 C ATOM 890 CG1 VAL A 58 -10.972 18.414 -3.483 1.00 2.76 C ATOM 891 CG2 VAL A 58 -11.069 20.897 -3.441 1.00 2.59 C ATOM 0 H VAL A 58 -7.611 21.045 -2.729 1.00 1.40 H new ATOM 0 HA VAL A 58 -9.689 19.488 -1.365 1.00 1.41 H new ATOM 0 HB VAL A 58 -9.490 19.745 -4.354 1.00 1.52 H new ATOM 0 HG11 VAL A 58 -11.659 18.452 -4.328 1.00 2.76 H new ATOM 0 HG12 VAL A 58 -10.325 17.542 -3.579 1.00 2.76 H new ATOM 0 HG13 VAL A 58 -11.541 18.343 -2.556 1.00 2.76 H new ATOM 0 HG21 VAL A 58 -11.742 20.844 -4.297 1.00 2.59 H new ATOM 0 HG22 VAL A 58 -11.652 20.884 -2.520 1.00 2.59 H new ATOM 0 HG23 VAL A 58 -10.490 21.819 -3.491 1.00 2.59 H new ATOM 901 N MET A 59 -8.255 17.412 -1.886 1.00 1.10 N ATOM 902 CA MET A 59 -7.336 16.274 -2.024 1.00 1.07 C ATOM 903 C MET A 59 -7.587 15.463 -3.303 1.00 1.03 C ATOM 904 O MET A 59 -8.626 15.590 -3.947 1.00 1.22 O ATOM 905 CB MET A 59 -7.367 15.400 -0.760 1.00 1.14 C ATOM 906 CG MET A 59 -6.819 16.180 0.442 1.00 1.23 C ATOM 907 SD MET A 59 -6.468 15.145 1.883 1.00 2.03 S ATOM 908 CE MET A 59 -4.742 14.744 1.508 1.00 3.33 C ATOM 0 H MET A 59 -9.064 17.214 -1.297 1.00 1.10 H new ATOM 0 HA MET A 59 -6.328 16.676 -2.128 1.00 1.07 H new ATOM 0 HB2 MET A 59 -8.388 15.078 -0.558 1.00 1.14 H new ATOM 0 HB3 MET A 59 -6.774 14.499 -0.918 1.00 1.14 H new ATOM 0 HG2 MET A 59 -5.905 16.694 0.144 1.00 1.23 H new ATOM 0 HG3 MET A 59 -7.539 16.948 0.724 1.00 1.23 H new ATOM 0 HE1 MET A 59 -4.339 14.103 2.292 1.00 3.33 H new ATOM 0 HE2 MET A 59 -4.689 14.225 0.551 1.00 3.33 H new ATOM 0 HE3 MET A 59 -4.158 15.663 1.455 1.00 3.33 H new ATOM 918 N GLY A 60 -6.602 14.650 -3.683 1.00 0.91 N ATOM 919 CA GLY A 60 -6.605 13.836 -4.896 1.00 0.86 C ATOM 920 C GLY A 60 -5.694 12.622 -4.782 1.00 0.74 C ATOM 921 O GLY A 60 -5.121 12.359 -3.729 1.00 0.80 O ATOM 0 H GLY A 60 -5.750 14.537 -3.134 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -7.622 13.505 -5.106 1.00 0.86 H new ATOM 0 HA3 GLY A 60 -6.288 14.447 -5.741 1.00 0.86 H new ATOM 925 N MET A 61 -5.593 11.850 -5.859 1.00 0.67 N ATOM 926 CA MET A 61 -4.905 10.563 -5.893 1.00 0.61 C ATOM 927 C MET A 61 -4.441 10.260 -7.318 1.00 0.56 C ATOM 928 O MET A 61 -5.111 10.646 -8.275 1.00 0.70 O ATOM 929 CB MET A 61 -5.901 9.524 -5.361 1.00 0.82 C ATOM 930 CG MET A 61 -5.485 8.059 -5.509 1.00 0.71 C ATOM 931 SD MET A 61 -6.793 6.839 -5.149 1.00 0.77 S ATOM 932 CE MET A 61 -7.660 7.620 -3.762 1.00 0.92 C ATOM 0 H MET A 61 -5.999 12.109 -6.758 1.00 0.67 H new ATOM 0 HA MET A 61 -4.007 10.556 -5.275 1.00 0.61 H new ATOM 0 HB2 MET A 61 -6.077 9.726 -4.304 1.00 0.82 H new ATOM 0 HB3 MET A 61 -6.852 9.665 -5.875 1.00 0.82 H new ATOM 0 HG2 MET A 61 -5.132 7.899 -6.528 1.00 0.71 H new ATOM 0 HG3 MET A 61 -4.641 7.869 -4.846 1.00 0.71 H new ATOM 0 HE1 MET A 61 -8.352 6.905 -3.316 1.00 0.92 H new ATOM 0 HE2 MET A 61 -6.935 7.939 -3.013 1.00 0.92 H new ATOM 0 HE3 MET A 61 -8.215 8.486 -4.121 1.00 0.92 H new ATOM 942 N ARG A 62 -3.318 9.552 -7.470 1.00 0.50 N ATOM 943 CA ARG A 62 -2.801 9.106 -8.776 1.00 0.53 C ATOM 944 C ARG A 62 -1.894 7.870 -8.631 1.00 0.52 C ATOM 945 O ARG A 62 -1.329 7.667 -7.554 1.00 0.50 O ATOM 946 CB ARG A 62 -2.114 10.273 -9.520 1.00 0.70 C ATOM 947 CG ARG A 62 -0.833 10.782 -8.851 1.00 1.82 C ATOM 948 CD ARG A 62 -0.176 11.920 -9.641 1.00 2.18 C ATOM 949 NE ARG A 62 0.903 12.502 -8.839 1.00 3.62 N ATOM 950 CZ ARG A 62 2.129 12.859 -9.171 1.00 4.81 C ATOM 951 NH1 ARG A 62 2.520 13.019 -10.417 1.00 4.83 N ATOM 952 NH2 ARG A 62 2.987 13.041 -8.196 1.00 6.17 N ATOM 0 H ARG A 62 -2.733 9.267 -6.684 1.00 0.50 H new ATOM 0 HA ARG A 62 -3.644 8.791 -9.392 1.00 0.53 H new ATOM 0 HB2 ARG A 62 -1.877 9.952 -10.534 1.00 0.70 H new ATOM 0 HB3 ARG A 62 -2.819 11.100 -9.604 1.00 0.70 H new ATOM 0 HG2 ARG A 62 -1.065 11.129 -7.844 1.00 1.82 H new ATOM 0 HG3 ARG A 62 -0.127 9.958 -8.750 1.00 1.82 H new ATOM 0 HD2 ARG A 62 0.219 11.543 -10.585 1.00 2.18 H new ATOM 0 HD3 ARG A 62 -0.915 12.683 -9.886 1.00 2.18 H new ATOM 0 HE ARG A 62 0.667 12.657 -7.859 1.00 3.62 H new ATOM 0 HH11 ARG A 62 1.862 12.866 -11.182 1.00 4.83 H new ATOM 0 HH12 ARG A 62 3.481 13.296 -10.618 1.00 4.83 H new ATOM 0 HH21 ARG A 62 2.695 12.906 -7.228 1.00 6.17 H new ATOM 0 HH22 ARG A 62 3.946 13.317 -8.406 1.00 6.17 H new ATOM 966 N PRO A 63 -1.766 7.019 -9.670 1.00 0.56 N ATOM 967 CA PRO A 63 -0.876 5.868 -9.633 1.00 0.55 C ATOM 968 C PRO A 63 0.583 6.290 -9.802 1.00 0.55 C ATOM 969 O PRO A 63 0.861 7.344 -10.371 1.00 0.58 O ATOM 970 CB PRO A 63 -1.346 4.947 -10.755 1.00 0.62 C ATOM 971 CG PRO A 63 -1.870 5.935 -11.795 1.00 0.68 C ATOM 972 CD PRO A 63 -2.487 7.044 -10.937 1.00 0.64 C ATOM 0 HA PRO A 63 -0.915 5.357 -8.671 1.00 0.55 H new ATOM 0 HB2 PRO A 63 -0.532 4.338 -11.148 1.00 0.62 H new ATOM 0 HB3 PRO A 63 -2.124 4.261 -10.418 1.00 0.62 H new ATOM 0 HG2 PRO A 63 -1.070 6.314 -12.430 1.00 0.68 H new ATOM 0 HG3 PRO A 63 -2.608 5.475 -12.452 1.00 0.68 H new ATOM 0 HD2 PRO A 63 -2.388 8.014 -11.423 1.00 0.64 H new ATOM 0 HD3 PRO A 63 -3.552 6.872 -10.783 1.00 0.64 H new ATOM 980 N VAL A 64 1.496 5.444 -9.315 1.00 0.54 N ATOM 981 CA VAL A 64 2.956 5.656 -9.354 1.00 0.55 C ATOM 982 C VAL A 64 3.677 4.334 -9.706 1.00 0.58 C ATOM 983 O VAL A 64 3.109 3.268 -9.461 1.00 0.57 O ATOM 984 CB VAL A 64 3.481 6.274 -8.030 1.00 0.52 C ATOM 985 CG1 VAL A 64 2.876 7.664 -7.768 1.00 0.56 C ATOM 986 CG2 VAL A 64 3.250 5.384 -6.801 1.00 0.65 C ATOM 0 H VAL A 64 1.237 4.564 -8.868 1.00 0.54 H new ATOM 0 HA VAL A 64 3.179 6.379 -10.139 1.00 0.55 H new ATOM 0 HB VAL A 64 4.558 6.365 -8.174 1.00 0.52 H new ATOM 0 HG11 VAL A 64 3.269 8.061 -6.832 1.00 0.56 H new ATOM 0 HG12 VAL A 64 3.138 8.335 -8.586 1.00 0.56 H new ATOM 0 HG13 VAL A 64 1.791 7.582 -7.700 1.00 0.56 H new ATOM 0 HG21 VAL A 64 3.642 5.880 -5.913 1.00 0.65 H new ATOM 0 HG22 VAL A 64 2.182 5.207 -6.676 1.00 0.65 H new ATOM 0 HG23 VAL A 64 3.762 4.432 -6.940 1.00 0.65 H new ATOM 996 N PRO A 65 4.883 4.372 -10.319 1.00 0.63 N ATOM 997 CA PRO A 65 5.525 3.199 -10.925 1.00 0.68 C ATOM 998 C PRO A 65 6.227 2.299 -9.907 1.00 0.66 C ATOM 999 O PRO A 65 6.389 1.111 -10.167 1.00 0.70 O ATOM 1000 CB PRO A 65 6.510 3.776 -11.946 1.00 0.75 C ATOM 1001 CG PRO A 65 6.945 5.091 -11.307 1.00 0.73 C ATOM 1002 CD PRO A 65 5.678 5.563 -10.599 1.00 0.66 C ATOM 0 HA PRO A 65 4.784 2.544 -11.384 1.00 0.68 H new ATOM 0 HB2 PRO A 65 7.356 3.109 -12.110 1.00 0.75 H new ATOM 0 HB3 PRO A 65 6.038 3.936 -12.915 1.00 0.75 H new ATOM 0 HG2 PRO A 65 7.769 4.947 -10.608 1.00 0.73 H new ATOM 0 HG3 PRO A 65 7.282 5.810 -12.053 1.00 0.73 H new ATOM 0 HD2 PRO A 65 5.924 6.089 -9.677 1.00 0.66 H new ATOM 0 HD3 PRO A 65 5.122 6.260 -11.226 1.00 0.66 H new ATOM 1010 N PHE A 66 6.626 2.867 -8.763 1.00 0.61 N ATOM 1011 CA PHE A 66 7.293 2.202 -7.646 1.00 0.61 C ATOM 1012 C PHE A 66 7.478 3.166 -6.465 1.00 0.58 C ATOM 1013 O PHE A 66 7.378 4.384 -6.622 1.00 0.57 O ATOM 1014 CB PHE A 66 8.642 1.597 -8.073 1.00 0.72 C ATOM 1015 CG PHE A 66 9.626 2.614 -8.591 1.00 0.70 C ATOM 1016 CD1 PHE A 66 10.418 3.334 -7.684 1.00 2.13 C ATOM 1017 CD2 PHE A 66 9.700 2.882 -9.965 1.00 1.53 C ATOM 1018 CE1 PHE A 66 11.277 4.343 -8.134 1.00 2.11 C ATOM 1019 CE2 PHE A 66 10.586 3.875 -10.431 1.00 1.58 C ATOM 1020 CZ PHE A 66 11.369 4.610 -9.514 1.00 0.70 C ATOM 0 H PHE A 66 6.482 3.861 -8.585 1.00 0.61 H new ATOM 0 HA PHE A 66 6.651 1.383 -7.322 1.00 0.61 H new ATOM 0 HB2 PHE A 66 9.083 1.079 -7.222 1.00 0.72 H new ATOM 0 HB3 PHE A 66 8.466 0.849 -8.846 1.00 0.72 H new ATOM 0 HD1 PHE A 66 10.364 3.108 -6.629 1.00 2.13 H new ATOM 0 HD2 PHE A 66 9.083 2.332 -10.661 1.00 1.53 H new ATOM 0 HE1 PHE A 66 11.865 4.912 -7.429 1.00 2.11 H new ATOM 0 HE2 PHE A 66 10.666 4.074 -11.490 1.00 1.58 H new ATOM 0 HZ PHE A 66 12.039 5.378 -9.871 1.00 0.70 H new ATOM 1030 N LEU A 67 7.827 2.612 -5.298 1.00 0.61 N ATOM 1031 CA LEU A 67 8.466 3.335 -4.192 1.00 0.63 C ATOM 1032 C LEU A 67 9.926 2.890 -4.038 1.00 0.69 C ATOM 1033 O LEU A 67 10.263 1.757 -4.376 1.00 0.73 O ATOM 1034 CB LEU A 67 7.722 3.079 -2.867 1.00 0.66 C ATOM 1035 CG LEU A 67 6.209 3.340 -2.871 1.00 0.63 C ATOM 1036 CD1 LEU A 67 5.687 3.234 -1.438 1.00 0.70 C ATOM 1037 CD2 LEU A 67 5.809 4.707 -3.434 1.00 0.59 C ATOM 0 H LEU A 67 7.669 1.626 -5.092 1.00 0.61 H new ATOM 0 HA LEU A 67 8.428 4.399 -4.424 1.00 0.63 H new ATOM 0 HB2 LEU A 67 7.889 2.042 -2.577 1.00 0.66 H new ATOM 0 HB3 LEU A 67 8.174 3.703 -2.096 1.00 0.66 H new ATOM 0 HG LEU A 67 5.769 2.590 -3.528 1.00 0.63 H new ATOM 0 HD11 LEU A 67 4.613 3.418 -1.428 1.00 0.70 H new ATOM 0 HD12 LEU A 67 5.888 2.235 -1.050 1.00 0.70 H new ATOM 0 HD13 LEU A 67 6.187 3.973 -0.813 1.00 0.70 H new ATOM 0 HD21 LEU A 67 4.724 4.811 -3.401 1.00 0.59 H new ATOM 0 HD22 LEU A 67 6.267 5.495 -2.836 1.00 0.59 H new ATOM 0 HD23 LEU A 67 6.150 4.789 -4.466 1.00 0.59 H new ATOM 1049 N GLU A 68 10.772 3.764 -3.504 1.00 0.71 N ATOM 1050 CA GLU A 68 12.172 3.468 -3.186 1.00 0.79 C ATOM 1051 C GLU A 68 12.338 3.398 -1.667 1.00 0.84 C ATOM 1052 O GLU A 68 11.735 4.204 -0.958 1.00 0.92 O ATOM 1053 CB GLU A 68 13.074 4.584 -3.745 1.00 1.05 C ATOM 1054 CG GLU A 68 14.583 4.310 -3.589 1.00 1.05 C ATOM 1055 CD GLU A 68 15.130 3.367 -4.667 1.00 1.04 C ATOM 1056 OE1 GLU A 68 14.369 2.547 -5.220 1.00 1.86 O ATOM 1057 OE2 GLU A 68 16.317 3.497 -5.039 1.00 1.86 O ATOM 0 H GLU A 68 10.502 4.720 -3.274 1.00 0.71 H new ATOM 0 HA GLU A 68 12.454 2.515 -3.633 1.00 0.79 H new ATOM 0 HB2 GLU A 68 12.848 4.724 -4.802 1.00 1.05 H new ATOM 0 HB3 GLU A 68 12.831 5.519 -3.241 1.00 1.05 H new ATOM 0 HG2 GLU A 68 15.125 5.255 -3.630 1.00 1.05 H new ATOM 0 HG3 GLU A 68 14.769 3.878 -2.606 1.00 1.05 H new ATOM 1064 N VAL A 69 13.191 2.495 -1.175 1.00 0.85 N ATOM 1065 CA VAL A 69 13.680 2.516 0.208 1.00 0.89 C ATOM 1066 C VAL A 69 15.194 2.228 0.263 1.00 0.89 C ATOM 1067 O VAL A 69 15.630 1.184 -0.232 1.00 0.92 O ATOM 1068 CB VAL A 69 12.892 1.530 1.112 1.00 0.88 C ATOM 1069 CG1 VAL A 69 13.364 1.587 2.578 1.00 0.93 C ATOM 1070 CG2 VAL A 69 11.378 1.802 1.097 1.00 0.96 C ATOM 0 H VAL A 69 13.564 1.724 -1.728 1.00 0.85 H new ATOM 0 HA VAL A 69 13.511 3.520 0.598 1.00 0.89 H new ATOM 0 HB VAL A 69 13.090 0.543 0.694 1.00 0.88 H new ATOM 0 HG11 VAL A 69 12.786 0.881 3.174 1.00 0.93 H new ATOM 0 HG12 VAL A 69 14.421 1.326 2.630 1.00 0.93 H new ATOM 0 HG13 VAL A 69 13.220 2.595 2.968 1.00 0.93 H new ATOM 0 HG21 VAL A 69 10.873 1.085 1.745 1.00 0.96 H new ATOM 0 HG22 VAL A 69 11.186 2.813 1.456 1.00 0.96 H new ATOM 0 HG23 VAL A 69 11.000 1.700 0.080 1.00 0.96 H new ATOM 1080 N PRO A 70 16.008 3.121 0.871 1.00 0.88 N ATOM 1081 CA PRO A 70 17.460 2.972 0.954 1.00 0.89 C ATOM 1082 C PRO A 70 17.860 1.822 1.897 1.00 0.88 C ATOM 1083 O PRO A 70 17.026 1.361 2.677 1.00 0.89 O ATOM 1084 CB PRO A 70 17.977 4.327 1.459 1.00 0.96 C ATOM 1085 CG PRO A 70 16.821 4.844 2.309 1.00 0.96 C ATOM 1086 CD PRO A 70 15.600 4.353 1.539 1.00 0.94 C ATOM 0 HA PRO A 70 17.893 2.713 -0.012 1.00 0.89 H new ATOM 0 HB2 PRO A 70 18.890 4.217 2.044 1.00 0.96 H new ATOM 0 HB3 PRO A 70 18.206 5.003 0.635 1.00 0.96 H new ATOM 0 HG2 PRO A 70 16.851 4.442 3.322 1.00 0.96 H new ATOM 0 HG3 PRO A 70 16.836 5.930 2.396 1.00 0.96 H new ATOM 0 HD2 PRO A 70 14.762 4.172 2.212 1.00 0.94 H new ATOM 0 HD3 PRO A 70 15.271 5.098 0.815 1.00 0.94 H new ATOM 1094 N PRO A 71 19.121 1.349 1.844 1.00 0.89 N ATOM 1095 CA PRO A 71 19.596 0.254 2.685 1.00 0.86 C ATOM 1096 C PRO A 71 19.577 0.585 4.175 1.00 0.89 C ATOM 1097 O PRO A 71 19.756 1.733 4.577 1.00 0.97 O ATOM 1098 CB PRO A 71 20.995 -0.081 2.181 1.00 0.90 C ATOM 1099 CG PRO A 71 21.468 1.179 1.469 1.00 0.97 C ATOM 1100 CD PRO A 71 20.170 1.769 0.925 1.00 0.95 C ATOM 0 HA PRO A 71 18.929 -0.605 2.605 1.00 0.86 H new ATOM 0 HB2 PRO A 71 21.659 -0.342 3.005 1.00 0.90 H new ATOM 0 HB3 PRO A 71 20.977 -0.934 1.503 1.00 0.90 H new ATOM 0 HG2 PRO A 71 21.969 1.865 2.152 1.00 0.97 H new ATOM 0 HG3 PRO A 71 22.174 0.951 0.671 1.00 0.97 H new ATOM 0 HD2 PRO A 71 20.228 2.856 0.870 1.00 0.95 H new ATOM 0 HD3 PRO A 71 19.971 1.409 -0.085 1.00 0.95 H new ATOM 1108 N LYS A 72 19.338 -0.453 4.987 1.00 0.92 N ATOM 1109 CA LYS A 72 19.284 -0.468 6.458 1.00 1.05 C ATOM 1110 C LYS A 72 18.063 0.267 7.055 1.00 1.16 C ATOM 1111 O LYS A 72 17.790 0.125 8.248 1.00 1.39 O ATOM 1112 CB LYS A 72 20.602 0.042 7.084 1.00 1.15 C ATOM 1113 CG LYS A 72 21.921 -0.342 6.387 1.00 1.50 C ATOM 1114 CD LYS A 72 22.115 -1.815 5.995 1.00 1.52 C ATOM 1115 CE LYS A 72 22.191 -2.796 7.168 1.00 1.63 C ATOM 1116 NZ LYS A 72 22.374 -4.185 6.681 1.00 1.74 N ATOM 0 H LYS A 72 19.163 -1.381 4.602 1.00 0.92 H new ATOM 0 HA LYS A 72 19.156 -1.517 6.725 1.00 1.05 H new ATOM 0 HB2 LYS A 72 20.552 1.130 7.131 1.00 1.15 H new ATOM 0 HB3 LYS A 72 20.648 -0.320 8.111 1.00 1.15 H new ATOM 0 HG2 LYS A 72 22.012 0.261 5.483 1.00 1.50 H new ATOM 0 HG3 LYS A 72 22.743 -0.058 7.044 1.00 1.50 H new ATOM 0 HD2 LYS A 72 21.292 -2.113 5.345 1.00 1.52 H new ATOM 0 HD3 LYS A 72 23.031 -1.901 5.410 1.00 1.52 H new ATOM 0 HE2 LYS A 72 23.018 -2.523 7.823 1.00 1.63 H new ATOM 0 HE3 LYS A 72 21.279 -2.731 7.762 1.00 1.63 H new ATOM 0 HZ1 LYS A 72 22.171 -4.853 7.452 1.00 1.74 H new ATOM 0 HZ2 LYS A 72 21.725 -4.363 5.888 1.00 1.74 H new ATOM 0 HZ3 LYS A 72 23.355 -4.314 6.361 1.00 1.74 H new ATOM 1130 N GLY A 73 17.351 1.069 6.256 1.00 1.18 N ATOM 1131 CA GLY A 73 16.280 1.973 6.700 1.00 1.42 C ATOM 1132 C GLY A 73 14.902 1.310 6.752 1.00 1.32 C ATOM 1133 O GLY A 73 14.728 0.185 6.287 1.00 1.20 O ATOM 0 H GLY A 73 17.508 1.109 5.249 1.00 1.18 H new ATOM 0 HA2 GLY A 73 16.527 2.357 7.690 1.00 1.42 H new ATOM 0 HA3 GLY A 73 16.237 2.830 6.027 1.00 1.42 H new ATOM 1137 N ARG A 74 13.911 2.031 7.292 1.00 1.49 N ATOM 1138 CA ARG A 74 12.491 1.658 7.217 1.00 1.37 C ATOM 1139 C ARG A 74 11.609 2.888 6.992 1.00 1.90 C ATOM 1140 O ARG A 74 11.906 3.957 7.515 1.00 2.49 O ATOM 1141 CB ARG A 74 12.058 0.808 8.432 1.00 1.66 C ATOM 1142 CG ARG A 74 11.718 1.546 9.744 1.00 1.85 C ATOM 1143 CD ARG A 74 10.311 2.137 9.796 1.00 1.79 C ATOM 1144 NE ARG A 74 9.730 2.100 11.151 1.00 2.66 N ATOM 1145 CZ ARG A 74 8.433 2.100 11.453 1.00 3.46 C ATOM 1146 NH1 ARG A 74 7.489 2.160 10.542 1.00 3.85 N ATOM 1147 NH2 ARG A 74 8.050 2.017 12.706 1.00 4.44 N ATOM 0 H ARG A 74 14.074 2.901 7.800 1.00 1.49 H new ATOM 0 HA ARG A 74 12.353 1.018 6.346 1.00 1.37 H new ATOM 0 HB2 ARG A 74 11.184 0.226 8.139 1.00 1.66 H new ATOM 0 HB3 ARG A 74 12.857 0.098 8.645 1.00 1.66 H new ATOM 0 HG2 ARG A 74 11.837 0.853 10.577 1.00 1.85 H new ATOM 0 HG3 ARG A 74 12.441 2.349 9.891 1.00 1.85 H new ATOM 0 HD2 ARG A 74 10.341 3.169 9.446 1.00 1.79 H new ATOM 0 HD3 ARG A 74 9.664 1.587 9.112 1.00 1.79 H new ATOM 0 HE ARG A 74 10.385 2.072 11.932 1.00 2.66 H new ATOM 0 HH11 ARG A 74 7.736 2.209 9.554 1.00 3.85 H new ATOM 0 HH12 ARG A 74 6.508 2.157 10.823 1.00 3.85 H new ATOM 0 HH21 ARG A 74 8.746 1.952 13.449 1.00 4.44 H new ATOM 0 HH22 ARG A 74 7.056 2.017 12.937 1.00 4.44 H new ATOM 1161 N VAL A 75 10.545 2.724 6.216 1.00 1.90 N ATOM 1162 CA VAL A 75 9.667 3.779 5.659 1.00 2.47 C ATOM 1163 C VAL A 75 8.270 3.163 5.485 1.00 1.96 C ATOM 1164 O VAL A 75 8.185 1.947 5.406 1.00 2.05 O ATOM 1165 CB VAL A 75 10.204 4.259 4.279 1.00 3.15 C ATOM 1166 CG1 VAL A 75 9.327 5.345 3.627 1.00 3.80 C ATOM 1167 CG2 VAL A 75 11.637 4.819 4.364 1.00 3.69 C ATOM 0 H VAL A 75 10.241 1.793 5.932 1.00 1.90 H new ATOM 0 HA VAL A 75 9.636 4.640 6.326 1.00 2.47 H new ATOM 0 HB VAL A 75 10.185 3.359 3.665 1.00 3.15 H new ATOM 0 HG11 VAL A 75 9.758 5.634 2.669 1.00 3.80 H new ATOM 0 HG12 VAL A 75 8.322 4.955 3.470 1.00 3.80 H new ATOM 0 HG13 VAL A 75 9.280 6.216 4.281 1.00 3.80 H new ATOM 0 HG21 VAL A 75 11.962 5.139 3.374 1.00 3.69 H new ATOM 0 HG22 VAL A 75 11.655 5.670 5.045 1.00 3.69 H new ATOM 0 HG23 VAL A 75 12.309 4.044 4.734 1.00 3.69 H new ATOM 1177 N GLU A 76 7.181 3.933 5.414 1.00 1.64 N ATOM 1178 CA GLU A 76 5.832 3.390 5.167 1.00 1.14 C ATOM 1179 C GLU A 76 5.118 4.012 3.960 1.00 0.98 C ATOM 1180 O GLU A 76 5.292 5.187 3.626 1.00 1.13 O ATOM 1181 CB GLU A 76 4.910 3.443 6.408 1.00 1.39 C ATOM 1182 CG GLU A 76 5.466 4.099 7.671 1.00 2.04 C ATOM 1183 CD GLU A 76 5.576 5.609 7.488 1.00 2.58 C ATOM 1184 OE1 GLU A 76 4.557 6.338 7.548 1.00 3.77 O ATOM 1185 OE2 GLU A 76 6.694 6.084 7.179 1.00 2.97 O ATOM 0 H GLU A 76 7.203 4.947 5.525 1.00 1.64 H new ATOM 0 HA GLU A 76 6.022 2.343 4.930 1.00 1.14 H new ATOM 0 HB2 GLU A 76 3.999 3.971 6.128 1.00 1.39 H new ATOM 0 HB3 GLU A 76 4.623 2.422 6.658 1.00 1.39 H new ATOM 0 HG2 GLU A 76 4.818 3.876 8.518 1.00 2.04 H new ATOM 0 HG3 GLU A 76 6.447 3.683 7.902 1.00 2.04 H new ATOM 1192 N LEU A 77 4.219 3.208 3.377 1.00 0.81 N ATOM 1193 CA LEU A 77 3.083 3.666 2.584 1.00 0.74 C ATOM 1194 C LEU A 77 2.215 4.546 3.495 1.00 1.00 C ATOM 1195 O LEU A 77 1.373 4.065 4.258 1.00 1.91 O ATOM 1196 CB LEU A 77 2.309 2.464 2.004 1.00 0.64 C ATOM 1197 CG LEU A 77 2.906 1.896 0.704 1.00 0.63 C ATOM 1198 CD1 LEU A 77 4.180 1.069 0.921 1.00 0.67 C ATOM 1199 CD2 LEU A 77 1.879 1.003 0.009 1.00 0.95 C ATOM 0 H LEU A 77 4.268 2.192 3.450 1.00 0.81 H new ATOM 0 HA LEU A 77 3.409 4.253 1.725 1.00 0.74 H new ATOM 0 HB2 LEU A 77 2.277 1.672 2.752 1.00 0.64 H new ATOM 0 HB3 LEU A 77 1.279 2.766 1.816 1.00 0.64 H new ATOM 0 HG LEU A 77 3.169 2.761 0.095 1.00 0.63 H new ATOM 0 HD11 LEU A 77 4.543 0.702 -0.039 1.00 0.67 H new ATOM 0 HD12 LEU A 77 4.945 1.693 1.384 1.00 0.67 H new ATOM 0 HD13 LEU A 77 3.959 0.224 1.573 1.00 0.67 H new ATOM 0 HD21 LEU A 77 2.307 0.604 -0.911 1.00 0.95 H new ATOM 0 HD22 LEU A 77 1.606 0.180 0.670 1.00 0.95 H new ATOM 0 HD23 LEU A 77 0.990 1.587 -0.228 1.00 0.95 H new ATOM 1211 N LYS A 78 2.521 5.842 3.461 1.00 1.28 N ATOM 1212 CA LYS A 78 2.067 6.841 4.420 1.00 1.51 C ATOM 1213 C LYS A 78 0.533 6.775 4.639 1.00 1.05 C ATOM 1214 O LYS A 78 -0.201 6.950 3.667 1.00 0.88 O ATOM 1215 CB LYS A 78 2.532 8.201 3.853 1.00 2.13 C ATOM 1216 CG LYS A 78 2.580 9.370 4.846 1.00 1.71 C ATOM 1217 CD LYS A 78 3.602 9.213 5.990 1.00 2.16 C ATOM 1218 CE LYS A 78 5.018 8.831 5.527 1.00 2.30 C ATOM 1219 NZ LYS A 78 5.898 8.555 6.684 1.00 3.47 N ATOM 0 H LYS A 78 3.116 6.238 2.734 1.00 1.28 H new ATOM 0 HA LYS A 78 2.489 6.670 5.410 1.00 1.51 H new ATOM 0 HB2 LYS A 78 3.527 8.072 3.428 1.00 2.13 H new ATOM 0 HB3 LYS A 78 1.868 8.475 3.033 1.00 2.13 H new ATOM 0 HG2 LYS A 78 2.809 10.284 4.297 1.00 1.71 H new ATOM 0 HG3 LYS A 78 1.589 9.499 5.280 1.00 1.71 H new ATOM 0 HD2 LYS A 78 3.654 10.149 6.545 1.00 2.16 H new ATOM 0 HD3 LYS A 78 3.241 8.452 6.682 1.00 2.16 H new ATOM 0 HE2 LYS A 78 4.970 7.952 4.885 1.00 2.30 H new ATOM 0 HE3 LYS A 78 5.440 9.639 4.930 1.00 2.30 H new ATOM 0 HZ1 LYS A 78 6.505 7.737 6.472 1.00 3.47 H new ATOM 0 HZ2 LYS A 78 6.492 9.387 6.874 1.00 3.47 H new ATOM 0 HZ3 LYS A 78 5.316 8.346 7.521 1.00 3.47 H new ATOM 1233 N PRO A 79 0.012 6.647 5.880 1.00 1.46 N ATOM 1234 CA PRO A 79 -1.419 6.430 6.125 1.00 1.76 C ATOM 1235 C PRO A 79 -2.381 7.531 5.632 1.00 1.64 C ATOM 1236 O PRO A 79 -3.580 7.280 5.558 1.00 2.71 O ATOM 1237 CB PRO A 79 -1.556 6.145 7.626 1.00 2.45 C ATOM 1238 CG PRO A 79 -0.266 6.686 8.237 1.00 2.40 C ATOM 1239 CD PRO A 79 0.757 6.488 7.121 1.00 2.08 C ATOM 0 HA PRO A 79 -1.745 5.589 5.513 1.00 1.76 H new ATOM 0 HB2 PRO A 79 -2.432 6.640 8.046 1.00 2.45 H new ATOM 0 HB3 PRO A 79 -1.670 5.078 7.819 1.00 2.45 H new ATOM 0 HG2 PRO A 79 -0.361 7.736 8.515 1.00 2.40 H new ATOM 0 HG3 PRO A 79 0.012 6.141 9.139 1.00 2.40 H new ATOM 0 HD2 PRO A 79 1.562 7.219 7.192 1.00 2.08 H new ATOM 0 HD3 PRO A 79 1.216 5.501 7.180 1.00 2.08 H new ATOM 1247 N GLY A 80 -1.902 8.729 5.269 1.00 1.15 N ATOM 1248 CA GLY A 80 -2.676 9.762 4.552 1.00 1.48 C ATOM 1249 C GLY A 80 -2.246 10.013 3.098 1.00 1.68 C ATOM 1250 O GLY A 80 -2.842 10.857 2.437 1.00 2.72 O ATOM 0 H GLY A 80 -0.944 9.017 5.469 1.00 1.15 H new ATOM 0 HA2 GLY A 80 -3.727 9.475 4.558 1.00 1.48 H new ATOM 0 HA3 GLY A 80 -2.598 10.699 5.104 1.00 1.48 H new ATOM 1254 N GLY A 81 -1.213 9.319 2.609 1.00 1.08 N ATOM 1255 CA GLY A 81 -0.509 9.579 1.347 1.00 1.11 C ATOM 1256 C GLY A 81 -0.409 8.334 0.467 1.00 1.15 C ATOM 1257 O GLY A 81 -1.379 7.918 -0.163 1.00 1.94 O ATOM 0 H GLY A 81 -0.824 8.519 3.108 1.00 1.08 H new ATOM 0 HA2 GLY A 81 -1.028 10.366 0.800 1.00 1.11 H new ATOM 0 HA3 GLY A 81 0.493 9.949 1.563 1.00 1.11 H new ATOM 1261 N TYR A 82 0.768 7.709 0.418 1.00 0.72 N ATOM 1262 CA TYR A 82 0.992 6.542 -0.444 1.00 0.64 C ATOM 1263 C TYR A 82 0.286 5.295 0.084 1.00 0.61 C ATOM 1264 O TYR A 82 0.245 5.029 1.281 1.00 0.67 O ATOM 1265 CB TYR A 82 2.481 6.241 -0.602 1.00 0.73 C ATOM 1266 CG TYR A 82 3.219 7.279 -1.414 1.00 0.74 C ATOM 1267 CD1 TYR A 82 3.756 8.424 -0.794 1.00 1.99 C ATOM 1268 CD2 TYR A 82 3.325 7.118 -2.804 1.00 1.63 C ATOM 1269 CE1 TYR A 82 4.370 9.421 -1.574 1.00 2.00 C ATOM 1270 CE2 TYR A 82 3.972 8.090 -3.582 1.00 1.69 C ATOM 1271 CZ TYR A 82 4.468 9.264 -2.974 1.00 0.89 C ATOM 1272 OH TYR A 82 5.005 10.257 -3.733 1.00 1.04 O ATOM 0 H TYR A 82 1.583 7.989 0.964 1.00 0.72 H new ATOM 0 HA TYR A 82 0.570 6.798 -1.416 1.00 0.64 H new ATOM 0 HB2 TYR A 82 2.937 6.171 0.386 1.00 0.73 H new ATOM 0 HB3 TYR A 82 2.599 5.267 -1.077 1.00 0.73 H new ATOM 0 HD1 TYR A 82 3.697 8.536 0.278 1.00 1.99 H new ATOM 0 HD2 TYR A 82 2.907 6.242 -3.277 1.00 1.63 H new ATOM 0 HE1 TYR A 82 4.767 10.307 -1.102 1.00 2.00 H new ATOM 0 HE2 TYR A 82 4.091 7.940 -4.645 1.00 1.69 H new ATOM 0 HH TYR A 82 4.999 9.988 -4.675 1.00 1.04 H new ATOM 1282 N HIS A 83 -0.296 4.539 -0.838 1.00 0.53 N ATOM 1283 CA HIS A 83 -1.138 3.379 -0.549 1.00 0.54 C ATOM 1284 C HIS A 83 -1.240 2.465 -1.784 1.00 0.46 C ATOM 1285 O HIS A 83 -1.230 2.949 -2.916 1.00 0.48 O ATOM 1286 CB HIS A 83 -2.513 3.853 -0.057 1.00 0.60 C ATOM 1287 CG HIS A 83 -3.285 4.635 -1.083 1.00 0.54 C ATOM 1288 ND1 HIS A 83 -3.141 5.971 -1.385 1.00 0.55 N ATOM 1289 CD2 HIS A 83 -4.171 4.103 -1.980 1.00 0.53 C ATOM 1290 CE1 HIS A 83 -3.895 6.235 -2.465 1.00 0.54 C ATOM 1291 NE2 HIS A 83 -4.568 5.133 -2.831 1.00 0.55 N ATOM 0 H HIS A 83 -0.194 4.719 -1.837 1.00 0.53 H new ATOM 0 HA HIS A 83 -0.687 2.784 0.245 1.00 0.54 H new ATOM 0 HB2 HIS A 83 -3.101 2.985 0.243 1.00 0.60 H new ATOM 0 HB3 HIS A 83 -2.378 4.470 0.831 1.00 0.60 H new ATOM 0 HD1 HIS A 83 -2.564 6.642 -0.878 1.00 0.55 H new ATOM 0 HD2 HIS A 83 -4.501 3.076 -2.021 1.00 0.53 H new ATOM 0 HE1 HIS A 83 -3.951 7.191 -2.964 1.00 0.54 H new ATOM 1299 N PHE A 84 -1.404 1.158 -1.581 1.00 0.42 N ATOM 1300 CA PHE A 84 -1.817 0.253 -2.655 1.00 0.42 C ATOM 1301 C PHE A 84 -3.339 0.314 -2.775 1.00 0.40 C ATOM 1302 O PHE A 84 -4.025 0.127 -1.775 1.00 0.53 O ATOM 1303 CB PHE A 84 -1.415 -1.189 -2.327 1.00 0.50 C ATOM 1304 CG PHE A 84 0.050 -1.498 -2.519 1.00 0.52 C ATOM 1305 CD1 PHE A 84 0.580 -1.583 -3.819 1.00 1.42 C ATOM 1306 CD2 PHE A 84 0.878 -1.727 -1.408 1.00 1.59 C ATOM 1307 CE1 PHE A 84 1.938 -1.888 -4.003 1.00 1.44 C ATOM 1308 CE2 PHE A 84 2.236 -2.026 -1.589 1.00 1.62 C ATOM 1309 CZ PHE A 84 2.768 -2.092 -2.886 1.00 0.65 C ATOM 0 H PHE A 84 -1.257 0.701 -0.681 1.00 0.42 H new ATOM 0 HA PHE A 84 -1.334 0.555 -3.584 1.00 0.42 H new ATOM 0 HB2 PHE A 84 -1.683 -1.399 -1.292 1.00 0.50 H new ATOM 0 HB3 PHE A 84 -1.999 -1.865 -2.951 1.00 0.50 H new ATOM 0 HD1 PHE A 84 -0.057 -1.414 -4.675 1.00 1.42 H new ATOM 0 HD2 PHE A 84 0.467 -1.673 -0.411 1.00 1.59 H new ATOM 0 HE1 PHE A 84 2.345 -1.966 -5.001 1.00 1.44 H new ATOM 0 HE2 PHE A 84 2.870 -2.205 -0.733 1.00 1.62 H new ATOM 0 HZ PHE A 84 3.818 -2.300 -3.027 1.00 0.65 H new ATOM 1319 N MET A 85 -3.890 0.506 -3.970 1.00 0.43 N ATOM 1320 CA MET A 85 -5.305 0.241 -4.268 1.00 0.41 C ATOM 1321 C MET A 85 -5.488 -1.256 -4.497 1.00 0.41 C ATOM 1322 O MET A 85 -4.705 -1.834 -5.241 1.00 0.50 O ATOM 1323 CB MET A 85 -5.753 1.002 -5.514 1.00 0.52 C ATOM 1324 CG MET A 85 -7.168 1.566 -5.331 1.00 0.65 C ATOM 1325 SD MET A 85 -7.259 2.960 -4.166 1.00 0.54 S ATOM 1326 CE MET A 85 -9.047 3.017 -3.847 1.00 0.61 C ATOM 0 H MET A 85 -3.365 0.854 -4.772 1.00 0.43 H new ATOM 0 HA MET A 85 -5.911 0.575 -3.426 1.00 0.41 H new ATOM 0 HB2 MET A 85 -5.057 1.815 -5.718 1.00 0.52 H new ATOM 0 HB3 MET A 85 -5.731 0.338 -6.378 1.00 0.52 H new ATOM 0 HG2 MET A 85 -7.548 1.889 -6.300 1.00 0.65 H new ATOM 0 HG3 MET A 85 -7.824 0.769 -4.981 1.00 0.65 H new ATOM 0 HE1 MET A 85 -9.266 3.824 -3.148 1.00 0.61 H new ATOM 0 HE2 MET A 85 -9.578 3.193 -4.782 1.00 0.61 H new ATOM 0 HE3 MET A 85 -9.371 2.068 -3.419 1.00 0.61 H new ATOM 1336 N LEU A 86 -6.503 -1.866 -3.885 1.00 0.40 N ATOM 1337 CA LEU A 86 -6.836 -3.287 -4.049 1.00 0.42 C ATOM 1338 C LEU A 86 -8.140 -3.415 -4.844 1.00 0.46 C ATOM 1339 O LEU A 86 -9.159 -2.809 -4.489 1.00 0.50 O ATOM 1340 CB LEU A 86 -6.994 -3.965 -2.677 1.00 0.42 C ATOM 1341 CG LEU A 86 -5.705 -4.305 -1.896 1.00 0.50 C ATOM 1342 CD1 LEU A 86 -4.844 -3.091 -1.516 1.00 0.58 C ATOM 1343 CD2 LEU A 86 -6.125 -5.010 -0.598 1.00 0.55 C ATOM 0 H LEU A 86 -7.132 -1.378 -3.247 1.00 0.40 H new ATOM 0 HA LEU A 86 -6.027 -3.780 -4.588 1.00 0.42 H new ATOM 0 HB2 LEU A 86 -7.606 -3.316 -2.050 1.00 0.42 H new ATOM 0 HB3 LEU A 86 -7.553 -4.889 -2.821 1.00 0.42 H new ATOM 0 HG LEU A 86 -5.092 -4.922 -2.553 1.00 0.50 H new ATOM 0 HD11 LEU A 86 -3.962 -3.427 -0.971 1.00 0.58 H new ATOM 0 HD12 LEU A 86 -4.534 -2.567 -2.420 1.00 0.58 H new ATOM 0 HD13 LEU A 86 -5.424 -2.416 -0.886 1.00 0.58 H new ATOM 0 HD21 LEU A 86 -5.237 -5.266 -0.019 1.00 0.55 H new ATOM 0 HD22 LEU A 86 -6.761 -4.346 -0.013 1.00 0.55 H new ATOM 0 HD23 LEU A 86 -6.675 -5.920 -0.840 1.00 0.55 H new ATOM 1355 N LEU A 87 -8.121 -4.198 -5.922 1.00 0.56 N ATOM 1356 CA LEU A 87 -9.234 -4.332 -6.861 1.00 0.73 C ATOM 1357 C LEU A 87 -9.716 -5.785 -6.884 1.00 0.58 C ATOM 1358 O LEU A 87 -8.919 -6.694 -7.079 1.00 0.57 O ATOM 1359 CB LEU A 87 -8.780 -3.906 -8.275 1.00 1.17 C ATOM 1360 CG LEU A 87 -8.542 -2.405 -8.562 1.00 1.59 C ATOM 1361 CD1 LEU A 87 -9.828 -1.578 -8.419 1.00 1.52 C ATOM 1362 CD2 LEU A 87 -7.459 -1.770 -7.684 1.00 3.39 C ATOM 0 H LEU A 87 -7.314 -4.769 -6.172 1.00 0.56 H new ATOM 0 HA LEU A 87 -10.053 -3.688 -6.542 1.00 0.73 H new ATOM 0 HB2 LEU A 87 -7.853 -4.435 -8.497 1.00 1.17 H new ATOM 0 HB3 LEU A 87 -9.528 -4.262 -8.983 1.00 1.17 H new ATOM 0 HG LEU A 87 -8.197 -2.384 -9.596 1.00 1.59 H new ATOM 0 HD11 LEU A 87 -9.612 -0.531 -8.630 1.00 1.52 H new ATOM 0 HD12 LEU A 87 -10.576 -1.943 -9.123 1.00 1.52 H new ATOM 0 HD13 LEU A 87 -10.210 -1.672 -7.403 1.00 1.52 H new ATOM 0 HD21 LEU A 87 -7.350 -0.717 -7.945 1.00 3.39 H new ATOM 0 HD22 LEU A 87 -7.744 -1.857 -6.635 1.00 3.39 H new ATOM 0 HD23 LEU A 87 -6.511 -2.284 -7.846 1.00 3.39 H new ATOM 1374 N GLY A 88 -11.027 -6.001 -6.742 1.00 0.60 N ATOM 1375 CA GLY A 88 -11.678 -7.299 -7.009 1.00 0.59 C ATOM 1376 C GLY A 88 -11.534 -8.331 -5.883 1.00 0.56 C ATOM 1377 O GLY A 88 -11.034 -9.430 -6.104 1.00 0.76 O ATOM 0 H GLY A 88 -11.677 -5.277 -6.436 1.00 0.60 H new ATOM 0 HA2 GLY A 88 -12.739 -7.127 -7.193 1.00 0.59 H new ATOM 0 HA3 GLY A 88 -11.260 -7.719 -7.924 1.00 0.59 H new ATOM 1381 N LEU A 89 -11.935 -7.957 -4.663 1.00 0.53 N ATOM 1382 CA LEU A 89 -11.846 -8.784 -3.453 1.00 0.59 C ATOM 1383 C LEU A 89 -12.525 -10.162 -3.479 1.00 0.66 C ATOM 1384 O LEU A 89 -13.424 -10.475 -4.258 1.00 0.96 O ATOM 1385 CB LEU A 89 -12.185 -7.957 -2.197 1.00 0.68 C ATOM 1386 CG LEU A 89 -13.553 -7.237 -2.149 1.00 1.00 C ATOM 1387 CD1 LEU A 89 -14.762 -8.170 -2.301 1.00 1.55 C ATOM 1388 CD2 LEU A 89 -13.675 -6.441 -0.842 1.00 1.47 C ATOM 0 H LEU A 89 -12.344 -7.040 -4.484 1.00 0.53 H new ATOM 0 HA LEU A 89 -10.797 -9.078 -3.415 1.00 0.59 H new ATOM 0 HB2 LEU A 89 -12.127 -8.621 -1.334 1.00 0.68 H new ATOM 0 HB3 LEU A 89 -11.407 -7.204 -2.073 1.00 0.68 H new ATOM 0 HG LEU A 89 -13.574 -6.572 -3.013 1.00 1.00 H new ATOM 0 HD11 LEU A 89 -15.681 -7.585 -2.256 1.00 1.55 H new ATOM 0 HD12 LEU A 89 -14.706 -8.685 -3.260 1.00 1.55 H new ATOM 0 HD13 LEU A 89 -14.759 -8.904 -1.495 1.00 1.55 H new ATOM 0 HD21 LEU A 89 -14.640 -5.935 -0.813 1.00 1.47 H new ATOM 0 HD22 LEU A 89 -13.595 -7.120 0.007 1.00 1.47 H new ATOM 0 HD23 LEU A 89 -12.876 -5.701 -0.791 1.00 1.47 H new ATOM 1400 N LYS A 90 -12.036 -11.003 -2.567 1.00 0.72 N ATOM 1401 CA LYS A 90 -12.372 -12.437 -2.487 1.00 0.76 C ATOM 1402 C LYS A 90 -13.104 -12.808 -1.184 1.00 0.89 C ATOM 1403 O LYS A 90 -13.869 -13.777 -1.114 1.00 1.08 O ATOM 1404 CB LYS A 90 -11.082 -13.249 -2.666 1.00 0.78 C ATOM 1405 CG LYS A 90 -10.254 -12.873 -3.915 1.00 0.84 C ATOM 1406 CD LYS A 90 -10.991 -13.073 -5.244 1.00 1.15 C ATOM 1407 CE LYS A 90 -10.015 -12.829 -6.399 1.00 1.07 C ATOM 1408 NZ LYS A 90 -10.532 -13.332 -7.690 1.00 1.76 N ATOM 0 H LYS A 90 -11.380 -10.706 -1.844 1.00 0.72 H new ATOM 0 HA LYS A 90 -13.074 -12.676 -3.286 1.00 0.76 H new ATOM 0 HB2 LYS A 90 -10.460 -13.118 -1.781 1.00 0.78 H new ATOM 0 HB3 LYS A 90 -11.339 -14.307 -2.721 1.00 0.78 H new ATOM 0 HG2 LYS A 90 -9.951 -11.829 -3.835 1.00 0.84 H new ATOM 0 HG3 LYS A 90 -9.342 -13.470 -3.925 1.00 0.84 H new ATOM 0 HD2 LYS A 90 -11.396 -14.083 -5.301 1.00 1.15 H new ATOM 0 HD3 LYS A 90 -11.835 -12.387 -5.313 1.00 1.15 H new ATOM 0 HE2 LYS A 90 -9.815 -11.761 -6.482 1.00 1.07 H new ATOM 0 HE3 LYS A 90 -9.065 -13.315 -6.177 1.00 1.07 H new ATOM 0 HZ1 LYS A 90 -9.737 -13.508 -8.337 1.00 1.76 H new ATOM 0 HZ2 LYS A 90 -11.054 -14.218 -7.534 1.00 1.76 H new ATOM 0 HZ3 LYS A 90 -11.169 -12.624 -8.108 1.00 1.76 H new ATOM 1422 N ARG A 91 -12.872 -12.009 -0.143 1.00 0.90 N ATOM 1423 CA ARG A 91 -13.667 -11.809 1.077 1.00 1.04 C ATOM 1424 C ARG A 91 -14.121 -10.335 1.108 1.00 0.98 C ATOM 1425 O ARG A 91 -13.369 -9.523 0.577 1.00 0.96 O ATOM 1426 CB ARG A 91 -12.770 -12.021 2.313 1.00 1.26 C ATOM 1427 CG ARG A 91 -12.088 -13.392 2.430 1.00 1.67 C ATOM 1428 CD ARG A 91 -13.075 -14.529 2.690 1.00 2.79 C ATOM 1429 NE ARG A 91 -13.734 -15.000 1.460 1.00 4.07 N ATOM 1430 CZ ARG A 91 -14.453 -16.098 1.284 1.00 5.41 C ATOM 1431 NH1 ARG A 91 -14.671 -16.955 2.259 1.00 5.78 N ATOM 1432 NH2 ARG A 91 -14.959 -16.317 0.088 1.00 7.05 N ATOM 0 H ARG A 91 -12.037 -11.423 -0.128 1.00 0.90 H new ATOM 0 HA ARG A 91 -14.508 -12.502 1.085 1.00 1.04 H new ATOM 0 HB2 ARG A 91 -11.997 -11.253 2.311 1.00 1.26 H new ATOM 0 HB3 ARG A 91 -13.374 -11.862 3.206 1.00 1.26 H new ATOM 0 HG2 ARG A 91 -11.539 -13.598 1.511 1.00 1.67 H new ATOM 0 HG3 ARG A 91 -11.357 -13.360 3.238 1.00 1.67 H new ATOM 0 HD2 ARG A 91 -12.549 -15.362 3.158 1.00 2.79 H new ATOM 0 HD3 ARG A 91 -13.833 -14.193 3.398 1.00 2.79 H new ATOM 0 HE ARG A 91 -13.622 -14.405 0.639 1.00 4.07 H new ATOM 0 HH11 ARG A 91 -14.281 -16.783 3.186 1.00 5.78 H new ATOM 0 HH12 ARG A 91 -15.230 -17.791 2.088 1.00 5.78 H new ATOM 0 HH21 ARG A 91 -14.792 -15.651 -0.666 1.00 7.05 H new ATOM 0 HH22 ARG A 91 -15.518 -17.153 -0.084 1.00 7.05 H new ATOM 1446 N PRO A 92 -15.257 -9.965 1.727 1.00 1.19 N ATOM 1447 CA PRO A 92 -15.541 -8.572 2.068 1.00 1.37 C ATOM 1448 C PRO A 92 -14.614 -8.150 3.214 1.00 1.51 C ATOM 1449 O PRO A 92 -14.358 -8.945 4.119 1.00 1.76 O ATOM 1450 CB PRO A 92 -17.015 -8.553 2.479 1.00 1.70 C ATOM 1451 CG PRO A 92 -17.232 -9.948 3.069 1.00 1.80 C ATOM 1452 CD PRO A 92 -16.292 -10.842 2.257 1.00 1.47 C ATOM 0 HA PRO A 92 -15.369 -7.875 1.248 1.00 1.37 H new ATOM 0 HB2 PRO A 92 -17.219 -7.771 3.210 1.00 1.70 H new ATOM 0 HB3 PRO A 92 -17.668 -8.371 1.626 1.00 1.70 H new ATOM 0 HG2 PRO A 92 -16.990 -9.974 4.131 1.00 1.80 H new ATOM 0 HG3 PRO A 92 -18.270 -10.266 2.971 1.00 1.80 H new ATOM 0 HD2 PRO A 92 -15.859 -11.622 2.883 1.00 1.47 H new ATOM 0 HD3 PRO A 92 -16.829 -11.342 1.451 1.00 1.47 H new ATOM 1460 N LEU A 93 -14.095 -6.916 3.181 1.00 1.67 N ATOM 1461 CA LEU A 93 -13.129 -6.436 4.174 1.00 1.76 C ATOM 1462 C LEU A 93 -13.848 -5.662 5.282 1.00 1.76 C ATOM 1463 O LEU A 93 -13.988 -4.441 5.218 1.00 2.22 O ATOM 1464 CB LEU A 93 -12.025 -5.604 3.491 1.00 1.97 C ATOM 1465 CG LEU A 93 -10.827 -6.440 3.006 1.00 1.48 C ATOM 1466 CD1 LEU A 93 -11.170 -7.313 1.797 1.00 2.44 C ATOM 1467 CD2 LEU A 93 -9.672 -5.507 2.630 1.00 2.38 C ATOM 0 H LEU A 93 -14.332 -6.226 2.468 1.00 1.67 H new ATOM 0 HA LEU A 93 -12.639 -7.288 4.645 1.00 1.76 H new ATOM 0 HB2 LEU A 93 -12.455 -5.075 2.640 1.00 1.97 H new ATOM 0 HB3 LEU A 93 -11.669 -4.847 4.190 1.00 1.97 H new ATOM 0 HG LEU A 93 -10.545 -7.101 3.825 1.00 1.48 H new ATOM 0 HD11 LEU A 93 -10.289 -7.881 1.497 1.00 2.44 H new ATOM 0 HD12 LEU A 93 -11.973 -8.001 2.061 1.00 2.44 H new ATOM 0 HD13 LEU A 93 -11.492 -6.680 0.971 1.00 2.44 H new ATOM 0 HD21 LEU A 93 -8.823 -6.099 2.287 1.00 2.38 H new ATOM 0 HD22 LEU A 93 -9.992 -4.835 1.834 1.00 2.38 H new ATOM 0 HD23 LEU A 93 -9.378 -4.923 3.502 1.00 2.38 H new ATOM 1479 N LYS A 94 -14.279 -6.369 6.328 1.00 1.56 N ATOM 1480 CA LYS A 94 -14.742 -5.715 7.559 1.00 1.57 C ATOM 1481 C LYS A 94 -13.564 -5.171 8.396 1.00 1.46 C ATOM 1482 O LYS A 94 -12.399 -5.429 8.101 1.00 1.87 O ATOM 1483 CB LYS A 94 -15.681 -6.642 8.359 1.00 1.78 C ATOM 1484 CG LYS A 94 -14.989 -7.923 8.842 1.00 1.83 C ATOM 1485 CD LYS A 94 -15.861 -8.759 9.795 1.00 2.47 C ATOM 1486 CE LYS A 94 -15.520 -8.635 11.292 1.00 4.29 C ATOM 1487 NZ LYS A 94 -14.104 -8.972 11.574 1.00 5.07 N ATOM 0 H LYS A 94 -14.318 -7.388 6.351 1.00 1.56 H new ATOM 0 HA LYS A 94 -15.333 -4.843 7.279 1.00 1.57 H new ATOM 0 HB2 LYS A 94 -16.071 -6.099 9.220 1.00 1.78 H new ATOM 0 HB3 LYS A 94 -16.535 -6.909 7.737 1.00 1.78 H new ATOM 0 HG2 LYS A 94 -14.720 -8.531 7.978 1.00 1.83 H new ATOM 0 HG3 LYS A 94 -14.060 -7.658 9.347 1.00 1.83 H new ATOM 0 HD2 LYS A 94 -16.902 -8.470 9.653 1.00 2.47 H new ATOM 0 HD3 LYS A 94 -15.779 -9.807 9.508 1.00 2.47 H new ATOM 0 HE2 LYS A 94 -15.723 -7.617 11.626 1.00 4.29 H new ATOM 0 HE3 LYS A 94 -16.170 -9.295 11.867 1.00 4.29 H new ATOM 0 HZ1 LYS A 94 -14.030 -9.399 12.520 1.00 5.07 H new ATOM 0 HZ2 LYS A 94 -13.759 -9.647 10.862 1.00 5.07 H new ATOM 0 HZ3 LYS A 94 -13.528 -8.107 11.539 1.00 5.07 H new ATOM 1501 N ALA A 95 -13.876 -4.452 9.476 1.00 1.25 N ATOM 1502 CA ALA A 95 -12.920 -4.135 10.524 1.00 1.18 C ATOM 1503 C ALA A 95 -12.682 -5.412 11.331 1.00 1.16 C ATOM 1504 O ALA A 95 -13.580 -6.251 11.467 1.00 1.35 O ATOM 1505 CB ALA A 95 -13.479 -2.995 11.386 1.00 1.25 C ATOM 0 H ALA A 95 -14.808 -4.073 9.644 1.00 1.25 H new ATOM 0 HA ALA A 95 -11.967 -3.794 10.119 1.00 1.18 H new ATOM 0 HB1 ALA A 95 -12.767 -2.752 12.174 1.00 1.25 H new ATOM 0 HB2 ALA A 95 -13.645 -2.116 10.763 1.00 1.25 H new ATOM 0 HB3 ALA A 95 -14.423 -3.306 11.833 1.00 1.25 H new ATOM 1511 N GLY A 96 -11.469 -5.582 11.824 1.00 1.07 N ATOM 1512 CA GLY A 96 -11.034 -6.720 12.630 1.00 1.12 C ATOM 1513 C GLY A 96 -10.900 -8.027 11.847 1.00 1.20 C ATOM 1514 O GLY A 96 -11.235 -9.068 12.406 1.00 1.60 O ATOM 0 H GLY A 96 -10.723 -4.903 11.670 1.00 1.07 H new ATOM 0 HA2 GLY A 96 -10.073 -6.482 13.086 1.00 1.12 H new ATOM 0 HA3 GLY A 96 -11.744 -6.868 13.443 1.00 1.12 H new ATOM 1518 N GLU A 97 -10.488 -7.985 10.575 1.00 1.05 N ATOM 1519 CA GLU A 97 -9.867 -9.142 9.911 1.00 0.97 C ATOM 1520 C GLU A 97 -8.335 -9.026 10.020 1.00 0.80 C ATOM 1521 O GLU A 97 -7.804 -7.984 10.416 1.00 0.80 O ATOM 1522 CB GLU A 97 -10.248 -9.246 8.417 1.00 1.00 C ATOM 1523 CG GLU A 97 -11.732 -9.123 8.082 1.00 1.57 C ATOM 1524 CD GLU A 97 -12.519 -10.368 8.484 1.00 1.12 C ATOM 1525 OE1 GLU A 97 -12.640 -11.290 7.649 1.00 1.56 O ATOM 1526 OE2 GLU A 97 -13.037 -10.373 9.625 1.00 2.65 O ATOM 0 H GLU A 97 -10.573 -7.160 9.981 1.00 1.05 H new ATOM 0 HA GLU A 97 -10.235 -10.037 10.412 1.00 0.97 H new ATOM 0 HB2 GLU A 97 -9.710 -8.470 7.873 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -9.892 -10.205 8.040 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -12.147 -8.253 8.591 1.00 1.57 H new ATOM 0 HG3 GLU A 97 -11.848 -8.952 7.012 1.00 1.57 H new ATOM 1533 N GLU A 98 -7.627 -10.060 9.574 1.00 0.81 N ATOM 1534 CA GLU A 98 -6.190 -10.110 9.370 1.00 0.82 C ATOM 1535 C GLU A 98 -6.005 -10.784 8.019 1.00 0.83 C ATOM 1536 O GLU A 98 -6.603 -11.825 7.757 1.00 1.14 O ATOM 1537 CB GLU A 98 -5.462 -10.918 10.454 1.00 1.07 C ATOM 1538 CG GLU A 98 -5.468 -10.237 11.826 1.00 2.71 C ATOM 1539 CD GLU A 98 -4.394 -10.851 12.720 1.00 3.28 C ATOM 1540 OE1 GLU A 98 -3.211 -10.525 12.471 1.00 4.35 O ATOM 1541 OE2 GLU A 98 -4.760 -11.627 13.631 1.00 3.53 O ATOM 0 H GLU A 98 -8.076 -10.943 9.330 1.00 0.81 H new ATOM 0 HA GLU A 98 -5.767 -9.106 9.415 1.00 0.82 H new ATOM 0 HB2 GLU A 98 -5.929 -11.899 10.541 1.00 1.07 H new ATOM 0 HB3 GLU A 98 -4.430 -11.083 10.143 1.00 1.07 H new ATOM 0 HG2 GLU A 98 -5.289 -9.168 11.711 1.00 2.71 H new ATOM 0 HG3 GLU A 98 -6.447 -10.348 12.292 1.00 2.71 H new ATOM 1548 N VAL A 99 -5.241 -10.142 7.144 1.00 0.69 N ATOM 1549 CA VAL A 99 -5.008 -10.569 5.758 1.00 0.75 C ATOM 1550 C VAL A 99 -3.645 -10.069 5.269 1.00 0.67 C ATOM 1551 O VAL A 99 -3.256 -8.934 5.549 1.00 0.98 O ATOM 1552 CB VAL A 99 -6.111 -10.070 4.788 1.00 1.23 C ATOM 1553 CG1 VAL A 99 -5.952 -10.813 3.455 1.00 2.04 C ATOM 1554 CG2 VAL A 99 -7.567 -10.260 5.257 1.00 1.35 C ATOM 0 H VAL A 99 -4.748 -9.281 7.381 1.00 0.69 H new ATOM 0 HA VAL A 99 -5.031 -11.659 5.759 1.00 0.75 H new ATOM 0 HB VAL A 99 -5.960 -8.993 4.718 1.00 1.23 H new ATOM 0 HG11 VAL A 99 -6.719 -10.477 2.757 1.00 2.04 H new ATOM 0 HG12 VAL A 99 -4.966 -10.606 3.038 1.00 2.04 H new ATOM 0 HG13 VAL A 99 -6.058 -11.885 3.621 1.00 2.04 H new ATOM 0 HG21 VAL A 99 -8.247 -9.874 4.498 1.00 1.35 H new ATOM 0 HG22 VAL A 99 -7.763 -11.321 5.414 1.00 1.35 H new ATOM 0 HG23 VAL A 99 -7.722 -9.720 6.191 1.00 1.35 H new ATOM 1564 N GLU A 100 -2.916 -10.897 4.518 1.00 0.68 N ATOM 1565 CA GLU A 100 -1.573 -10.539 4.055 1.00 0.94 C ATOM 1566 C GLU A 100 -1.577 -9.583 2.858 1.00 1.02 C ATOM 1567 O GLU A 100 -2.474 -9.608 2.005 1.00 0.95 O ATOM 1568 CB GLU A 100 -0.744 -11.769 3.650 1.00 1.23 C ATOM 1569 CG GLU A 100 -0.788 -12.935 4.639 1.00 1.84 C ATOM 1570 CD GLU A 100 -1.714 -14.004 4.081 1.00 2.19 C ATOM 1571 OE1 GLU A 100 -2.930 -13.736 4.019 1.00 3.64 O ATOM 1572 OE2 GLU A 100 -1.155 -15.021 3.605 1.00 2.33 O ATOM 0 H GLU A 100 -3.232 -11.819 4.218 1.00 0.68 H new ATOM 0 HA GLU A 100 -1.124 -10.043 4.915 1.00 0.94 H new ATOM 0 HB2 GLU A 100 -1.096 -12.122 2.680 1.00 1.23 H new ATOM 0 HB3 GLU A 100 0.294 -11.462 3.520 1.00 1.23 H new ATOM 0 HG2 GLU A 100 0.212 -13.341 4.791 1.00 1.84 H new ATOM 0 HG3 GLU A 100 -1.145 -12.594 5.611 1.00 1.84 H new ATOM 1579 N LEU A 101 -0.472 -8.836 2.747 1.00 1.17 N ATOM 1580 CA LEU A 101 0.057 -8.375 1.463 1.00 0.99 C ATOM 1581 C LEU A 101 1.418 -9.030 1.178 1.00 0.92 C ATOM 1582 O LEU A 101 2.293 -9.113 2.053 1.00 1.03 O ATOM 1583 CB LEU A 101 0.161 -6.831 1.402 1.00 0.99 C ATOM 1584 CG LEU A 101 -1.083 -6.169 0.763 1.00 1.12 C ATOM 1585 CD1 LEU A 101 -2.264 -6.055 1.739 1.00 1.81 C ATOM 1586 CD2 LEU A 101 -0.778 -4.771 0.207 1.00 1.79 C ATOM 0 H LEU A 101 0.081 -8.535 3.550 1.00 1.17 H new ATOM 0 HA LEU A 101 -0.646 -8.679 0.687 1.00 0.99 H new ATOM 0 HB2 LEU A 101 0.296 -6.441 2.411 1.00 0.99 H new ATOM 0 HB3 LEU A 101 1.047 -6.554 0.831 1.00 0.99 H new ATOM 0 HG LEU A 101 -1.362 -6.833 -0.055 1.00 1.12 H new ATOM 0 HD11 LEU A 101 -3.108 -5.583 1.236 1.00 1.81 H new ATOM 0 HD12 LEU A 101 -2.554 -7.050 2.078 1.00 1.81 H new ATOM 0 HD13 LEU A 101 -1.970 -5.451 2.597 1.00 1.81 H new ATOM 0 HD21 LEU A 101 -1.682 -4.348 -0.231 1.00 1.79 H new ATOM 0 HD22 LEU A 101 -0.430 -4.126 1.014 1.00 1.79 H new ATOM 0 HD23 LEU A 101 -0.005 -4.844 -0.558 1.00 1.79 H new ATOM 1598 N ASP A 102 1.601 -9.455 -0.074 1.00 0.80 N ATOM 1599 CA ASP A 102 2.909 -9.703 -0.685 1.00 0.84 C ATOM 1600 C ASP A 102 3.510 -8.362 -1.114 1.00 0.94 C ATOM 1601 O ASP A 102 2.772 -7.452 -1.492 1.00 1.25 O ATOM 1602 CB ASP A 102 2.825 -10.579 -1.946 1.00 0.88 C ATOM 1603 CG ASP A 102 2.244 -11.992 -1.834 1.00 1.19 C ATOM 1604 OD1 ASP A 102 1.344 -12.229 -1.000 1.00 2.59 O ATOM 1605 OD2 ASP A 102 2.634 -12.812 -2.698 1.00 1.75 O ATOM 0 H ASP A 102 0.824 -9.641 -0.707 1.00 0.80 H new ATOM 0 HA ASP A 102 3.514 -10.221 0.059 1.00 0.84 H new ATOM 0 HB2 ASP A 102 2.232 -10.038 -2.683 1.00 0.88 H new ATOM 0 HB3 ASP A 102 3.833 -10.669 -2.351 1.00 0.88 H new ATOM 1610 N LEU A 103 4.842 -8.251 -1.125 1.00 0.76 N ATOM 1611 CA LEU A 103 5.582 -7.086 -1.602 1.00 0.78 C ATOM 1612 C LEU A 103 6.573 -7.500 -2.700 1.00 0.88 C ATOM 1613 O LEU A 103 7.370 -8.425 -2.519 1.00 0.96 O ATOM 1614 CB LEU A 103 6.314 -6.421 -0.427 1.00 0.86 C ATOM 1615 CG LEU A 103 5.389 -5.731 0.598 1.00 0.84 C ATOM 1616 CD1 LEU A 103 4.844 -6.680 1.677 1.00 0.95 C ATOM 1617 CD2 LEU A 103 6.185 -4.617 1.287 1.00 1.02 C ATOM 0 H LEU A 103 5.452 -8.997 -0.790 1.00 0.76 H new ATOM 0 HA LEU A 103 4.884 -6.366 -2.030 1.00 0.78 H new ATOM 0 HB2 LEU A 103 6.907 -7.176 0.089 1.00 0.86 H new ATOM 0 HB3 LEU A 103 7.012 -5.683 -0.822 1.00 0.86 H new ATOM 0 HG LEU A 103 4.528 -5.350 0.049 1.00 0.84 H new ATOM 0 HD11 LEU A 103 4.203 -6.124 2.361 1.00 0.95 H new ATOM 0 HD12 LEU A 103 4.267 -7.475 1.205 1.00 0.95 H new ATOM 0 HD13 LEU A 103 5.675 -7.115 2.232 1.00 0.95 H new ATOM 0 HD21 LEU A 103 5.550 -4.114 2.017 1.00 1.02 H new ATOM 0 HD22 LEU A 103 7.050 -5.047 1.793 1.00 1.02 H new ATOM 0 HD23 LEU A 103 6.522 -3.896 0.542 1.00 1.02 H new ATOM 1629 N LEU A 104 6.504 -6.805 -3.841 1.00 0.89 N ATOM 1630 CA LEU A 104 7.221 -7.113 -5.082 1.00 0.88 C ATOM 1631 C LEU A 104 8.298 -6.054 -5.349 1.00 0.80 C ATOM 1632 O LEU A 104 7.988 -4.884 -5.602 1.00 0.76 O ATOM 1633 CB LEU A 104 6.195 -7.168 -6.234 1.00 0.89 C ATOM 1634 CG LEU A 104 5.058 -8.199 -6.067 1.00 0.99 C ATOM 1635 CD1 LEU A 104 4.199 -8.241 -7.337 1.00 1.00 C ATOM 1636 CD2 LEU A 104 5.568 -9.612 -5.762 1.00 1.12 C ATOM 0 H LEU A 104 5.919 -5.974 -3.928 1.00 0.89 H new ATOM 0 HA LEU A 104 7.724 -8.076 -5.000 1.00 0.88 H new ATOM 0 HB2 LEU A 104 5.751 -6.179 -6.348 1.00 0.89 H new ATOM 0 HB3 LEU A 104 6.727 -7.387 -7.160 1.00 0.89 H new ATOM 0 HG LEU A 104 4.467 -7.872 -5.211 1.00 0.99 H new ATOM 0 HD11 LEU A 104 3.399 -8.971 -7.211 1.00 1.00 H new ATOM 0 HD12 LEU A 104 3.767 -7.257 -7.517 1.00 1.00 H new ATOM 0 HD13 LEU A 104 4.820 -8.526 -8.187 1.00 1.00 H new ATOM 0 HD21 LEU A 104 4.721 -10.290 -5.656 1.00 1.12 H new ATOM 0 HD22 LEU A 104 6.205 -9.953 -6.578 1.00 1.12 H new ATOM 0 HD23 LEU A 104 6.141 -9.600 -4.835 1.00 1.12 H new ATOM 1648 N PHE A 105 9.564 -6.463 -5.299 1.00 0.80 N ATOM 1649 CA PHE A 105 10.726 -5.583 -5.369 1.00 0.83 C ATOM 1650 C PHE A 105 11.528 -5.808 -6.656 1.00 0.92 C ATOM 1651 O PHE A 105 11.998 -6.920 -6.909 1.00 1.31 O ATOM 1652 CB PHE A 105 11.618 -5.848 -4.161 1.00 0.89 C ATOM 1653 CG PHE A 105 10.946 -5.526 -2.851 1.00 0.82 C ATOM 1654 CD1 PHE A 105 10.918 -4.198 -2.397 1.00 1.95 C ATOM 1655 CD2 PHE A 105 10.337 -6.546 -2.098 1.00 1.90 C ATOM 1656 CE1 PHE A 105 10.343 -3.899 -1.156 1.00 1.91 C ATOM 1657 CE2 PHE A 105 9.746 -6.242 -0.864 1.00 1.94 C ATOM 1658 CZ PHE A 105 9.765 -4.924 -0.382 1.00 0.80 C ATOM 0 H PHE A 105 9.816 -7.447 -5.206 1.00 0.80 H new ATOM 0 HA PHE A 105 10.377 -4.550 -5.370 1.00 0.83 H new ATOM 0 HB2 PHE A 105 11.918 -6.896 -4.161 1.00 0.89 H new ATOM 0 HB3 PHE A 105 12.528 -5.255 -4.251 1.00 0.89 H new ATOM 0 HD1 PHE A 105 11.339 -3.409 -3.003 1.00 1.95 H new ATOM 0 HD2 PHE A 105 10.325 -7.560 -2.469 1.00 1.90 H new ATOM 0 HE1 PHE A 105 10.343 -2.882 -0.792 1.00 1.91 H new ATOM 0 HE2 PHE A 105 9.276 -7.022 -0.284 1.00 1.94 H new ATOM 0 HZ PHE A 105 9.336 -4.696 0.583 1.00 0.80 H new ATOM 1668 N ALA A 106 11.716 -4.731 -7.431 1.00 0.72 N ATOM 1669 CA ALA A 106 12.502 -4.678 -8.670 1.00 0.79 C ATOM 1670 C ALA A 106 12.180 -5.828 -9.655 1.00 1.47 C ATOM 1671 O ALA A 106 13.060 -6.337 -10.348 1.00 2.25 O ATOM 1672 CB ALA A 106 13.990 -4.558 -8.301 1.00 1.67 C ATOM 0 H ALA A 106 11.303 -3.828 -7.198 1.00 0.72 H new ATOM 0 HA ALA A 106 12.218 -3.791 -9.236 1.00 0.79 H new ATOM 0 HB1 ALA A 106 14.588 -4.517 -9.211 1.00 1.67 H new ATOM 0 HB2 ALA A 106 14.149 -3.649 -7.721 1.00 1.67 H new ATOM 0 HB3 ALA A 106 14.289 -5.423 -7.709 1.00 1.67 H new ATOM 1678 N GLY A 107 10.919 -6.285 -9.657 1.00 2.61 N ATOM 1679 CA GLY A 107 10.450 -7.458 -10.396 1.00 3.82 C ATOM 1680 C GLY A 107 10.618 -8.759 -9.607 1.00 3.43 C ATOM 1681 O GLY A 107 9.627 -9.335 -9.163 1.00 4.97 O ATOM 0 H GLY A 107 10.176 -5.831 -9.126 1.00 2.61 H new ATOM 0 HA2 GLY A 107 9.398 -7.325 -10.651 1.00 3.82 H new ATOM 0 HA3 GLY A 107 10.998 -7.534 -11.335 1.00 3.82 H new ATOM 1685 N GLY A 108 11.857 -9.250 -9.485 1.00 1.68 N ATOM 1686 CA GLY A 108 12.140 -10.649 -9.119 1.00 1.54 C ATOM 1687 C GLY A 108 12.118 -10.981 -7.622 1.00 1.46 C ATOM 1688 O GLY A 108 11.863 -12.125 -7.252 1.00 2.07 O ATOM 0 H GLY A 108 12.696 -8.690 -9.637 1.00 1.68 H new ATOM 0 HA2 GLY A 108 11.413 -11.287 -9.621 1.00 1.54 H new ATOM 0 HA3 GLY A 108 13.121 -10.913 -9.513 1.00 1.54 H new ATOM 1692 N LYS A 109 12.381 -10.021 -6.729 1.00 0.98 N ATOM 1693 CA LYS A 109 12.380 -10.288 -5.283 1.00 0.93 C ATOM 1694 C LYS A 109 10.965 -10.215 -4.693 1.00 0.92 C ATOM 1695 O LYS A 109 10.412 -9.130 -4.543 1.00 1.27 O ATOM 1696 CB LYS A 109 13.353 -9.343 -4.557 1.00 0.93 C ATOM 1697 CG LYS A 109 14.757 -9.952 -4.529 1.00 1.23 C ATOM 1698 CD LYS A 109 15.820 -9.006 -3.952 1.00 1.79 C ATOM 1699 CE LYS A 109 15.531 -8.650 -2.483 1.00 3.66 C ATOM 1700 NZ LYS A 109 16.642 -7.878 -1.866 1.00 4.82 N ATOM 0 H LYS A 109 12.597 -9.056 -6.978 1.00 0.98 H new ATOM 0 HA LYS A 109 12.730 -11.309 -5.129 1.00 0.93 H new ATOM 0 HB2 LYS A 109 13.377 -8.377 -5.061 1.00 0.93 H new ATOM 0 HB3 LYS A 109 13.006 -9.163 -3.539 1.00 0.93 H new ATOM 0 HG2 LYS A 109 14.736 -10.867 -3.938 1.00 1.23 H new ATOM 0 HG3 LYS A 109 15.043 -10.234 -5.542 1.00 1.23 H new ATOM 0 HD2 LYS A 109 16.802 -9.474 -4.026 1.00 1.79 H new ATOM 0 HD3 LYS A 109 15.856 -8.093 -4.547 1.00 1.79 H new ATOM 0 HE2 LYS A 109 14.611 -8.069 -2.426 1.00 3.66 H new ATOM 0 HE3 LYS A 109 15.366 -9.565 -1.914 1.00 3.66 H new ATOM 0 HZ1 LYS A 109 16.406 -7.659 -0.877 1.00 4.82 H new ATOM 0 HZ2 LYS A 109 17.515 -8.442 -1.897 1.00 4.82 H new ATOM 0 HZ3 LYS A 109 16.783 -6.992 -2.392 1.00 4.82 H new ATOM 1714 N VAL A 110 10.428 -11.370 -4.310 1.00 0.79 N ATOM 1715 CA VAL A 110 9.134 -11.523 -3.614 1.00 0.80 C ATOM 1716 C VAL A 110 9.346 -11.682 -2.104 1.00 0.80 C ATOM 1717 O VAL A 110 10.190 -12.473 -1.688 1.00 0.90 O ATOM 1718 CB VAL A 110 8.351 -12.751 -4.137 1.00 0.98 C ATOM 1719 CG1 VAL A 110 6.990 -12.934 -3.436 1.00 1.73 C ATOM 1720 CG2 VAL A 110 8.093 -12.658 -5.652 1.00 1.78 C ATOM 0 H VAL A 110 10.891 -12.263 -4.477 1.00 0.79 H new ATOM 0 HA VAL A 110 8.556 -10.621 -3.814 1.00 0.80 H new ATOM 0 HB VAL A 110 8.986 -13.609 -3.914 1.00 0.98 H new ATOM 0 HG11 VAL A 110 6.486 -13.810 -3.843 1.00 1.73 H new ATOM 0 HG12 VAL A 110 7.147 -13.071 -2.366 1.00 1.73 H new ATOM 0 HG13 VAL A 110 6.373 -12.051 -3.602 1.00 1.73 H new ATOM 0 HG21 VAL A 110 7.541 -13.538 -5.982 1.00 1.78 H new ATOM 0 HG22 VAL A 110 7.510 -11.762 -5.868 1.00 1.78 H new ATOM 0 HG23 VAL A 110 9.045 -12.608 -6.181 1.00 1.78 H new ATOM 1730 N LEU A 111 8.553 -10.958 -1.305 1.00 0.73 N ATOM 1731 CA LEU A 111 8.381 -11.153 0.141 1.00 0.78 C ATOM 1732 C LEU A 111 6.883 -11.046 0.504 1.00 0.71 C ATOM 1733 O LEU A 111 6.069 -10.672 -0.335 1.00 1.12 O ATOM 1734 CB LEU A 111 9.238 -10.132 0.931 1.00 0.96 C ATOM 1735 CG LEU A 111 10.770 -10.337 0.826 1.00 1.90 C ATOM 1736 CD1 LEU A 111 11.430 -9.535 -0.310 1.00 3.36 C ATOM 1737 CD2 LEU A 111 11.449 -9.911 2.138 1.00 2.35 C ATOM 0 H LEU A 111 7.989 -10.187 -1.663 1.00 0.73 H new ATOM 0 HA LEU A 111 8.727 -12.149 0.418 1.00 0.78 H new ATOM 0 HB2 LEU A 111 8.997 -9.129 0.579 1.00 0.96 H new ATOM 0 HB3 LEU A 111 8.952 -10.178 1.982 1.00 0.96 H new ATOM 0 HG LEU A 111 10.905 -11.398 0.617 1.00 1.90 H new ATOM 0 HD11 LEU A 111 12.502 -9.731 -0.319 1.00 3.36 H new ATOM 0 HD12 LEU A 111 10.998 -9.834 -1.265 1.00 3.36 H new ATOM 0 HD13 LEU A 111 11.257 -8.470 -0.152 1.00 3.36 H new ATOM 0 HD21 LEU A 111 12.526 -10.059 2.055 1.00 2.35 H new ATOM 0 HD22 LEU A 111 11.241 -8.859 2.330 1.00 2.35 H new ATOM 0 HD23 LEU A 111 11.062 -10.513 2.960 1.00 2.35 H new ATOM 1749 N LYS A 112 6.492 -11.361 1.746 1.00 0.85 N ATOM 1750 CA LYS A 112 5.095 -11.259 2.221 1.00 0.88 C ATOM 1751 C LYS A 112 5.019 -10.945 3.725 1.00 0.88 C ATOM 1752 O LYS A 112 5.836 -11.456 4.489 1.00 1.06 O ATOM 1753 CB LYS A 112 4.331 -12.561 1.861 1.00 1.11 C ATOM 1754 CG LYS A 112 2.819 -12.463 2.138 1.00 1.98 C ATOM 1755 CD LYS A 112 1.977 -13.650 1.648 1.00 2.01 C ATOM 1756 CE LYS A 112 2.066 -14.885 2.549 1.00 1.76 C ATOM 1757 NZ LYS A 112 0.981 -15.848 2.230 1.00 2.02 N ATOM 0 H LYS A 112 7.138 -11.697 2.460 1.00 0.85 H new ATOM 0 HA LYS A 112 4.615 -10.421 1.715 1.00 0.88 H new ATOM 0 HB2 LYS A 112 4.488 -12.789 0.807 1.00 1.11 H new ATOM 0 HB3 LYS A 112 4.747 -13.391 2.432 1.00 1.11 H new ATOM 0 HG2 LYS A 112 2.671 -12.354 3.212 1.00 1.98 H new ATOM 0 HG3 LYS A 112 2.440 -11.554 1.670 1.00 1.98 H new ATOM 0 HD2 LYS A 112 0.935 -13.339 1.576 1.00 2.01 H new ATOM 0 HD3 LYS A 112 2.299 -13.921 0.643 1.00 2.01 H new ATOM 0 HE2 LYS A 112 3.035 -15.366 2.420 1.00 1.76 H new ATOM 0 HE3 LYS A 112 1.996 -14.584 3.594 1.00 1.76 H new ATOM 0 HZ1 LYS A 112 1.207 -16.775 2.644 1.00 2.02 H new ATOM 0 HZ2 LYS A 112 0.083 -15.502 2.624 1.00 2.02 H new ATOM 0 HZ3 LYS A 112 0.893 -15.942 1.198 1.00 2.02 H new ATOM 1771 N VAL A 113 4.033 -10.143 4.147 1.00 0.85 N ATOM 1772 CA VAL A 113 3.764 -9.836 5.568 1.00 0.94 C ATOM 1773 C VAL A 113 2.264 -9.962 5.857 1.00 0.84 C ATOM 1774 O VAL A 113 1.431 -9.729 4.983 1.00 0.98 O ATOM 1775 CB VAL A 113 4.252 -8.427 5.999 1.00 1.25 C ATOM 1776 CG1 VAL A 113 4.451 -8.332 7.523 1.00 2.35 C ATOM 1777 CG2 VAL A 113 5.583 -8.012 5.342 1.00 2.29 C ATOM 0 H VAL A 113 3.388 -9.680 3.507 1.00 0.85 H new ATOM 0 HA VAL A 113 4.331 -10.563 6.150 1.00 0.94 H new ATOM 0 HB VAL A 113 3.461 -7.755 5.666 1.00 1.25 H new ATOM 0 HG11 VAL A 113 4.793 -7.330 7.784 1.00 2.35 H new ATOM 0 HG12 VAL A 113 3.506 -8.535 8.027 1.00 2.35 H new ATOM 0 HG13 VAL A 113 5.195 -9.063 7.839 1.00 2.35 H new ATOM 0 HG21 VAL A 113 5.865 -7.017 5.688 1.00 2.29 H new ATOM 0 HG22 VAL A 113 6.361 -8.725 5.615 1.00 2.29 H new ATOM 0 HG23 VAL A 113 5.466 -8.000 4.258 1.00 2.29 H new ATOM 1787 N VAL A 114 1.943 -10.316 7.100 1.00 0.99 N ATOM 1788 CA VAL A 114 0.573 -10.454 7.624 1.00 0.96 C ATOM 1789 C VAL A 114 0.200 -9.134 8.299 1.00 0.91 C ATOM 1790 O VAL A 114 1.013 -8.588 9.042 1.00 1.12 O ATOM 1791 CB VAL A 114 0.445 -11.611 8.647 1.00 1.14 C ATOM 1792 CG1 VAL A 114 -1.027 -11.846 9.028 1.00 1.65 C ATOM 1793 CG2 VAL A 114 1.041 -12.927 8.110 1.00 1.57 C ATOM 0 H VAL A 114 2.653 -10.524 7.802 1.00 0.99 H new ATOM 0 HA VAL A 114 -0.097 -10.688 6.796 1.00 0.96 H new ATOM 0 HB VAL A 114 1.010 -11.310 9.529 1.00 1.14 H new ATOM 0 HG11 VAL A 114 -1.091 -12.663 9.747 1.00 1.65 H new ATOM 0 HG12 VAL A 114 -1.437 -10.939 9.472 1.00 1.65 H new ATOM 0 HG13 VAL A 114 -1.597 -12.103 8.135 1.00 1.65 H new ATOM 0 HG21 VAL A 114 0.929 -13.710 8.860 1.00 1.57 H new ATOM 0 HG22 VAL A 114 0.517 -13.219 7.200 1.00 1.57 H new ATOM 0 HG23 VAL A 114 2.099 -12.784 7.890 1.00 1.57 H new ATOM 1803 N LEU A 115 -0.998 -8.614 8.016 1.00 0.77 N ATOM 1804 CA LEU A 115 -1.457 -7.298 8.467 1.00 0.76 C ATOM 1805 C LEU A 115 -2.936 -7.378 8.904 1.00 0.66 C ATOM 1806 O LEU A 115 -3.711 -8.095 8.265 1.00 0.72 O ATOM 1807 CB LEU A 115 -1.319 -6.287 7.307 1.00 0.90 C ATOM 1808 CG LEU A 115 0.082 -6.140 6.668 1.00 1.36 C ATOM 1809 CD1 LEU A 115 -0.032 -5.231 5.436 1.00 1.75 C ATOM 1810 CD2 LEU A 115 1.117 -5.547 7.633 1.00 2.56 C ATOM 0 H LEU A 115 -1.691 -9.108 7.454 1.00 0.77 H new ATOM 0 HA LEU A 115 -0.851 -6.975 9.314 1.00 0.76 H new ATOM 0 HB2 LEU A 115 -2.021 -6.572 6.523 1.00 0.90 H new ATOM 0 HB3 LEU A 115 -1.630 -5.308 7.672 1.00 0.90 H new ATOM 0 HG LEU A 115 0.427 -7.138 6.397 1.00 1.36 H new ATOM 0 HD11 LEU A 115 0.949 -5.118 4.975 1.00 1.75 H new ATOM 0 HD12 LEU A 115 -0.721 -5.676 4.718 1.00 1.75 H new ATOM 0 HD13 LEU A 115 -0.405 -4.253 5.739 1.00 1.75 H new ATOM 0 HD21 LEU A 115 2.080 -5.468 7.129 1.00 2.56 H new ATOM 0 HD22 LEU A 115 0.792 -4.557 7.952 1.00 2.56 H new ATOM 0 HD23 LEU A 115 1.215 -6.195 8.504 1.00 2.56 H new ATOM 1822 N PRO A 116 -3.373 -6.619 9.925 1.00 0.58 N ATOM 1823 CA PRO A 116 -4.788 -6.430 10.219 1.00 0.58 C ATOM 1824 C PRO A 116 -5.518 -5.655 9.113 1.00 0.59 C ATOM 1825 O PRO A 116 -4.925 -4.951 8.296 1.00 0.73 O ATOM 1826 CB PRO A 116 -4.843 -5.711 11.571 1.00 0.70 C ATOM 1827 CG PRO A 116 -3.506 -4.974 11.634 1.00 0.59 C ATOM 1828 CD PRO A 116 -2.558 -5.932 10.916 1.00 0.59 C ATOM 0 HA PRO A 116 -5.308 -7.387 10.264 1.00 0.58 H new ATOM 0 HB2 PRO A 116 -5.685 -5.021 11.625 1.00 0.70 H new ATOM 0 HB3 PRO A 116 -4.953 -6.415 12.396 1.00 0.70 H new ATOM 0 HG2 PRO A 116 -3.554 -4.005 11.137 1.00 0.59 H new ATOM 0 HG3 PRO A 116 -3.193 -4.790 12.662 1.00 0.59 H new ATOM 0 HD2 PRO A 116 -1.738 -5.391 10.443 1.00 0.59 H new ATOM 0 HD3 PRO A 116 -2.112 -6.639 11.615 1.00 0.59 H new ATOM 1836 N VAL A 117 -6.843 -5.755 9.123 1.00 0.63 N ATOM 1837 CA VAL A 117 -7.754 -4.883 8.368 1.00 0.71 C ATOM 1838 C VAL A 117 -8.521 -4.039 9.388 1.00 0.74 C ATOM 1839 O VAL A 117 -9.180 -4.603 10.256 1.00 0.83 O ATOM 1840 CB VAL A 117 -8.742 -5.695 7.500 1.00 0.83 C ATOM 1841 CG1 VAL A 117 -9.619 -4.774 6.636 1.00 0.99 C ATOM 1842 CG2 VAL A 117 -8.008 -6.691 6.583 1.00 0.84 C ATOM 0 H VAL A 117 -7.333 -6.463 9.670 1.00 0.63 H new ATOM 0 HA VAL A 117 -7.179 -4.257 7.685 1.00 0.71 H new ATOM 0 HB VAL A 117 -9.376 -6.250 8.192 1.00 0.83 H new ATOM 0 HG11 VAL A 117 -10.302 -5.378 6.038 1.00 0.99 H new ATOM 0 HG12 VAL A 117 -10.193 -4.108 7.281 1.00 0.99 H new ATOM 0 HG13 VAL A 117 -8.985 -4.182 5.976 1.00 0.99 H new ATOM 0 HG21 VAL A 117 -8.736 -7.243 5.989 1.00 0.84 H new ATOM 0 HG22 VAL A 117 -7.336 -6.147 5.920 1.00 0.84 H new ATOM 0 HG23 VAL A 117 -7.432 -7.389 7.191 1.00 0.84 H new ATOM 1852 N GLU A 118 -8.435 -2.711 9.280 1.00 0.80 N ATOM 1853 CA GLU A 118 -9.052 -1.740 10.193 1.00 0.79 C ATOM 1854 C GLU A 118 -9.477 -0.484 9.428 1.00 1.10 C ATOM 1855 O GLU A 118 -8.937 -0.173 8.367 1.00 1.56 O ATOM 1856 CB GLU A 118 -8.095 -1.358 11.344 1.00 0.96 C ATOM 1857 CG GLU A 118 -8.167 -2.307 12.548 1.00 1.85 C ATOM 1858 CD GLU A 118 -9.572 -2.326 13.149 1.00 3.17 C ATOM 1859 OE1 GLU A 118 -9.939 -1.336 13.816 1.00 3.81 O ATOM 1860 OE2 GLU A 118 -10.302 -3.305 12.867 1.00 4.48 O ATOM 0 H GLU A 118 -7.914 -2.263 8.526 1.00 0.80 H new ATOM 0 HA GLU A 118 -9.934 -2.210 10.628 1.00 0.79 H new ATOM 0 HB2 GLU A 118 -7.073 -1.343 10.965 1.00 0.96 H new ATOM 0 HB3 GLU A 118 -8.326 -0.346 11.676 1.00 0.96 H new ATOM 0 HG2 GLU A 118 -7.887 -3.314 12.239 1.00 1.85 H new ATOM 0 HG3 GLU A 118 -7.448 -1.994 13.305 1.00 1.85 H new ATOM 1867 N ALA A 119 -10.476 0.227 9.959 1.00 1.20 N ATOM 1868 CA ALA A 119 -11.163 1.304 9.252 1.00 1.56 C ATOM 1869 C ALA A 119 -10.534 2.690 9.485 1.00 1.86 C ATOM 1870 O ALA A 119 -10.155 3.035 10.605 1.00 2.35 O ATOM 1871 CB ALA A 119 -12.644 1.274 9.654 1.00 1.89 C ATOM 0 H ALA A 119 -10.832 0.067 10.901 1.00 1.20 H new ATOM 0 HA ALA A 119 -11.060 1.133 8.180 1.00 1.56 H new ATOM 0 HB1 ALA A 119 -13.178 2.071 9.137 1.00 1.89 H new ATOM 0 HB2 ALA A 119 -13.076 0.311 9.380 1.00 1.89 H new ATOM 0 HB3 ALA A 119 -12.732 1.418 10.731 1.00 1.89 H new ATOM 1877 N ARG A 120 -10.503 3.510 8.423 1.00 2.15 N ATOM 1878 CA ARG A 120 -10.148 4.943 8.439 1.00 2.58 C ATOM 1879 C ARG A 120 -10.547 5.649 7.143 1.00 3.03 C ATOM 1880 O ARG A 120 -9.863 6.613 6.744 1.00 4.08 O ATOM 1881 CB ARG A 120 -8.660 5.153 8.798 1.00 3.40 C ATOM 1882 CG ARG A 120 -7.663 4.709 7.708 1.00 4.43 C ATOM 1883 CD ARG A 120 -6.292 5.367 7.927 1.00 5.72 C ATOM 1884 NE ARG A 120 -5.979 6.510 7.036 1.00 6.70 N ATOM 1885 CZ ARG A 120 -6.515 7.717 6.986 1.00 7.18 C ATOM 1886 NH1 ARG A 120 -7.693 8.034 7.424 1.00 6.81 N ATOM 1887 NH2 ARG A 120 -5.827 8.684 6.455 1.00 8.60 N ATOM 1888 OXT ARG A 120 -11.461 5.171 6.446 1.00 3.30 O ATOM 0 H ARG A 120 -10.735 3.180 7.486 1.00 2.15 H new ATOM 0 HA ARG A 120 -10.731 5.414 9.230 1.00 2.58 H new ATOM 0 HB2 ARG A 120 -8.498 6.210 9.010 1.00 3.40 H new ATOM 0 HB3 ARG A 120 -8.441 4.606 9.715 1.00 3.40 H new ATOM 0 HG2 ARG A 120 -7.558 3.624 7.724 1.00 4.43 H new ATOM 0 HG3 ARG A 120 -8.048 4.978 6.724 1.00 4.43 H new ATOM 0 HD2 ARG A 120 -6.234 5.709 8.960 1.00 5.72 H new ATOM 0 HD3 ARG A 120 -5.520 4.608 7.799 1.00 5.72 H new ATOM 0 HE ARG A 120 -5.236 6.339 6.358 1.00 6.70 H new ATOM 0 HH11 ARG A 120 -8.287 7.323 7.849 1.00 6.81 H new ATOM 0 HH12 ARG A 120 -8.026 8.995 7.343 1.00 6.81 H new ATOM 0 HH21 ARG A 120 -4.893 8.503 6.087 1.00 8.60 H new ATOM 0 HH22 ARG A 120 -6.221 9.623 6.406 1.00 8.60 H new