USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=17 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 83 HIS : no HD1:sc= -0.0437 K(o=-0.72,f=-1.3) USER MOD Set 1.2: A 85 MET CE :methyl -168:sc= -0.674 (180deg=-0.93) USER MOD Set 2.1: A 48 THR OG1 : rot 170:sc= 0.00449 USER MOD Set 2.2: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 9:sc= 1.06 USER MOD Single : A 15 ASN : amide:sc= -0.0592 K(o=-0.059,f=-2.8!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 24 ASN : amide:sc= -0.144 K(o=-0.14,f=-3.4!) USER MOD Single : A 37 THR OG1 : rot 83:sc= 0.778 USER MOD Single : A 46 HIS : no HD1:sc= -0.335 K(o=-0.33,f=-3.4!) USER MOD Single : A 50 MET CE :methyl -121:sc= 0 (180deg=-0.0622) USER MOD Single : A 56 LYS NZ :NH3+ 155:sc= 0.401 (180deg=-0.411) USER MOD Single : A 57 LYS NZ :NH3+ 134:sc= 0.00317 (180deg=-1.47!) USER MOD Single : A 59 MET CE :methyl 168:sc=-0.000341 (180deg=-0.204) USER MOD Single : A 72 LYS NZ :NH3+ -170:sc= 0.81 (180deg=0.684!) USER MOD Single : A 78 LYS NZ :NH3+ -166:sc= 2.43 (180deg=2.43) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 176:sc= 0.164 (180deg=0.107) USER MOD Single : A 94 LYS NZ :NH3+ 147:sc= 2.23 (180deg=0.815) USER MOD Single : A 109 LYS NZ :NH3+ -173:sc= 0.757 (180deg=0.735) USER MOD Single : A 112 LYS NZ :NH3+ -168:sc= 2.39 (180deg=2.26) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 12.207 -4.192 -1.790 1.00 1.78 N ATOM 56 CA GLU A 5 11.068 -4.924 -2.361 1.00 1.62 C ATOM 57 C GLU A 5 9.796 -4.545 -1.577 1.00 1.51 C ATOM 58 O GLU A 5 9.558 -3.349 -1.389 1.00 1.74 O ATOM 59 CB GLU A 5 11.400 -6.428 -2.432 1.00 3.11 C ATOM 60 CG GLU A 5 10.502 -7.174 -3.428 1.00 4.53 C ATOM 61 CD GLU A 5 11.040 -8.579 -3.685 1.00 5.58 C ATOM 62 OE1 GLU A 5 10.792 -9.449 -2.824 1.00 6.25 O ATOM 63 OE2 GLU A 5 11.720 -8.746 -4.720 1.00 6.25 O ATOM 0 HA GLU A 5 10.867 -4.643 -3.395 1.00 1.62 H new ATOM 0 HB2 GLU A 5 12.443 -6.555 -2.721 1.00 3.11 H new ATOM 0 HB3 GLU A 5 11.287 -6.870 -1.442 1.00 3.11 H new ATOM 0 HG2 GLU A 5 9.486 -7.233 -3.037 1.00 4.53 H new ATOM 0 HG3 GLU A 5 10.451 -6.621 -4.366 1.00 4.53 H new ATOM 70 N GLY A 6 8.962 -5.488 -1.125 1.00 1.46 N ATOM 71 CA GLY A 6 7.720 -5.190 -0.396 1.00 1.35 C ATOM 72 C GLY A 6 7.340 -6.205 0.678 1.00 1.21 C ATOM 73 O GLY A 6 7.969 -7.250 0.798 1.00 1.22 O ATOM 0 H GLY A 6 9.129 -6.486 -1.254 1.00 1.46 H new ATOM 0 HA2 GLY A 6 7.817 -4.210 0.071 1.00 1.35 H new ATOM 0 HA3 GLY A 6 6.903 -5.121 -1.114 1.00 1.35 H new ATOM 77 N TRP A 7 6.285 -5.884 1.442 1.00 1.19 N ATOM 78 CA TRP A 7 5.786 -6.708 2.546 1.00 1.05 C ATOM 79 C TRP A 7 4.294 -6.495 2.862 1.00 1.10 C ATOM 80 O TRP A 7 3.720 -5.423 2.660 1.00 1.31 O ATOM 81 CB TRP A 7 6.640 -6.495 3.813 1.00 1.06 C ATOM 82 CG TRP A 7 6.518 -5.184 4.535 1.00 1.22 C ATOM 83 CD1 TRP A 7 5.915 -5.032 5.737 1.00 1.25 C ATOM 84 CD2 TRP A 7 7.042 -3.861 4.186 1.00 1.44 C ATOM 85 NE1 TRP A 7 6.043 -3.727 6.163 1.00 1.47 N ATOM 86 CE2 TRP A 7 6.712 -2.956 5.239 1.00 1.58 C ATOM 87 CE3 TRP A 7 7.782 -3.327 3.106 1.00 1.56 C ATOM 88 CZ2 TRP A 7 7.058 -1.596 5.209 1.00 1.83 C ATOM 89 CZ3 TRP A 7 8.116 -1.960 3.051 1.00 1.82 C ATOM 90 CH2 TRP A 7 7.750 -1.092 4.096 1.00 1.95 C ATOM 0 H TRP A 7 5.747 -5.028 1.305 1.00 1.19 H new ATOM 0 HA TRP A 7 5.878 -7.741 2.210 1.00 1.05 H new ATOM 0 HB2 TRP A 7 6.394 -7.289 4.519 1.00 1.06 H new ATOM 0 HB3 TRP A 7 7.686 -6.627 3.536 1.00 1.06 H new ATOM 0 HD1 TRP A 7 5.409 -5.816 6.281 1.00 1.25 H new ATOM 0 HE1 TRP A 7 5.686 -3.376 7.052 1.00 1.47 H new ATOM 0 HE3 TRP A 7 8.098 -3.981 2.307 1.00 1.56 H new ATOM 0 HZ2 TRP A 7 6.796 -0.946 6.031 1.00 1.83 H new ATOM 0 HZ3 TRP A 7 8.658 -1.575 2.200 1.00 1.82 H new ATOM 0 HH2 TRP A 7 8.000 -0.043 4.042 1.00 1.95 H new ATOM 101 N VAL A 8 3.689 -7.535 3.436 1.00 0.98 N ATOM 102 CA VAL A 8 2.451 -7.465 4.221 1.00 0.85 C ATOM 103 C VAL A 8 2.856 -7.445 5.696 1.00 0.77 C ATOM 104 O VAL A 8 3.842 -8.069 6.096 1.00 0.88 O ATOM 105 CB VAL A 8 1.514 -8.653 3.903 1.00 0.94 C ATOM 106 CG1 VAL A 8 0.302 -8.745 4.850 1.00 1.07 C ATOM 107 CG2 VAL A 8 1.004 -8.538 2.459 1.00 1.27 C ATOM 0 H VAL A 8 4.058 -8.483 3.366 1.00 0.98 H new ATOM 0 HA VAL A 8 1.888 -6.566 3.971 1.00 0.85 H new ATOM 0 HB VAL A 8 2.106 -9.558 4.042 1.00 0.94 H new ATOM 0 HG11 VAL A 8 -0.314 -9.600 4.571 1.00 1.07 H new ATOM 0 HG12 VAL A 8 0.650 -8.868 5.876 1.00 1.07 H new ATOM 0 HG13 VAL A 8 -0.289 -7.832 4.774 1.00 1.07 H new ATOM 0 HG21 VAL A 8 0.344 -9.377 2.238 1.00 1.27 H new ATOM 0 HG22 VAL A 8 0.455 -7.604 2.340 1.00 1.27 H new ATOM 0 HG23 VAL A 8 1.850 -8.552 1.772 1.00 1.27 H new ATOM 117 N ARG A 9 2.107 -6.709 6.517 1.00 0.78 N ATOM 118 CA ARG A 9 2.382 -6.578 7.942 1.00 0.83 C ATOM 119 C ARG A 9 1.655 -7.654 8.748 1.00 0.91 C ATOM 120 O ARG A 9 0.431 -7.637 8.856 1.00 1.48 O ATOM 121 CB ARG A 9 2.007 -5.160 8.396 1.00 0.92 C ATOM 122 CG ARG A 9 2.308 -4.861 9.873 1.00 1.22 C ATOM 123 CD ARG A 9 3.700 -5.330 10.322 1.00 3.07 C ATOM 124 NE ARG A 9 4.206 -4.539 11.445 1.00 3.56 N ATOM 125 CZ ARG A 9 3.762 -4.428 12.684 1.00 3.81 C ATOM 126 NH1 ARG A 9 2.772 -5.148 13.174 1.00 3.92 N ATOM 127 NH2 ARG A 9 4.378 -3.551 13.440 1.00 4.64 N ATOM 0 H ARG A 9 1.288 -6.185 6.207 1.00 0.78 H new ATOM 0 HA ARG A 9 3.446 -6.730 8.123 1.00 0.83 H new ATOM 0 HB2 ARG A 9 2.543 -4.441 7.777 1.00 0.92 H new ATOM 0 HB3 ARG A 9 0.943 -5.005 8.217 1.00 0.92 H new ATOM 0 HG2 ARG A 9 2.223 -3.788 10.043 1.00 1.22 H new ATOM 0 HG3 ARG A 9 1.553 -5.343 10.494 1.00 1.22 H new ATOM 0 HD2 ARG A 9 3.654 -6.380 10.609 1.00 3.07 H new ATOM 0 HD3 ARG A 9 4.395 -5.258 9.485 1.00 3.07 H new ATOM 0 HE ARG A 9 5.036 -3.984 11.237 1.00 3.56 H new ATOM 0 HH11 ARG A 9 2.303 -5.838 12.586 1.00 3.92 H new ATOM 0 HH12 ARG A 9 2.475 -5.015 14.141 1.00 3.92 H new ATOM 0 HH21 ARG A 9 5.151 -3.004 13.061 1.00 4.64 H new ATOM 0 HH22 ARG A 9 4.084 -3.416 14.407 1.00 4.64 H new ATOM 141 N PHE A 10 2.429 -8.508 9.423 1.00 0.96 N ATOM 142 CA PHE A 10 1.971 -9.364 10.512 1.00 1.08 C ATOM 143 C PHE A 10 1.161 -8.580 11.553 1.00 1.11 C ATOM 144 O PHE A 10 1.608 -7.548 12.063 1.00 1.48 O ATOM 145 CB PHE A 10 3.190 -10.010 11.192 1.00 1.43 C ATOM 146 CG PHE A 10 2.885 -10.654 12.533 1.00 1.60 C ATOM 147 CD1 PHE A 10 2.092 -11.815 12.599 1.00 1.72 C ATOM 148 CD2 PHE A 10 3.343 -10.056 13.724 1.00 2.75 C ATOM 149 CE1 PHE A 10 1.767 -12.374 13.848 1.00 1.86 C ATOM 150 CE2 PHE A 10 3.019 -10.620 14.972 1.00 2.92 C ATOM 151 CZ PHE A 10 2.233 -11.781 15.033 1.00 2.01 C ATOM 0 H PHE A 10 3.421 -8.624 9.218 1.00 0.96 H new ATOM 0 HA PHE A 10 1.318 -10.128 10.090 1.00 1.08 H new ATOM 0 HB2 PHE A 10 3.606 -10.765 10.525 1.00 1.43 H new ATOM 0 HB3 PHE A 10 3.959 -9.250 11.333 1.00 1.43 H new ATOM 0 HD1 PHE A 10 1.733 -12.276 11.691 1.00 1.72 H new ATOM 0 HD2 PHE A 10 3.945 -9.161 13.679 1.00 2.75 H new ATOM 0 HE1 PHE A 10 1.156 -13.263 13.896 1.00 1.86 H new ATOM 0 HE2 PHE A 10 3.375 -10.160 15.882 1.00 2.92 H new ATOM 0 HZ PHE A 10 1.987 -12.218 15.990 1.00 2.01 H new ATOM 161 N SER A 11 -0.010 -9.108 11.899 1.00 1.01 N ATOM 162 CA SER A 11 -0.860 -8.778 13.032 1.00 1.14 C ATOM 163 C SER A 11 -1.869 -9.935 13.221 1.00 1.22 C ATOM 164 O SER A 11 -2.488 -10.348 12.233 1.00 1.30 O ATOM 165 CB SER A 11 -1.586 -7.464 12.743 1.00 1.37 C ATOM 166 OG SER A 11 -0.663 -6.389 12.839 1.00 2.12 O ATOM 0 H SER A 11 -0.425 -9.850 11.335 1.00 1.01 H new ATOM 0 HA SER A 11 -0.275 -8.654 13.943 1.00 1.14 H new ATOM 0 HB2 SER A 11 -2.029 -7.491 11.747 1.00 1.37 H new ATOM 0 HB3 SER A 11 -2.402 -7.322 13.451 1.00 1.37 H new ATOM 0 HG SER A 11 0.246 -6.745 12.924 1.00 2.12 H new ATOM 172 N PRO A 12 -2.032 -10.491 14.437 1.00 1.42 N ATOM 173 CA PRO A 12 -2.949 -11.596 14.693 1.00 1.74 C ATOM 174 C PRO A 12 -4.369 -11.049 14.925 1.00 1.78 C ATOM 175 O PRO A 12 -4.888 -11.082 16.038 1.00 2.39 O ATOM 176 CB PRO A 12 -2.347 -12.325 15.901 1.00 2.07 C ATOM 177 CG PRO A 12 -1.742 -11.180 16.710 1.00 1.96 C ATOM 178 CD PRO A 12 -1.237 -10.220 15.630 1.00 1.58 C ATOM 0 HA PRO A 12 -3.057 -12.292 13.861 1.00 1.74 H new ATOM 0 HB2 PRO A 12 -3.105 -12.866 16.468 1.00 2.07 H new ATOM 0 HB3 PRO A 12 -1.593 -13.053 15.601 1.00 2.07 H new ATOM 0 HG2 PRO A 12 -2.482 -10.707 17.355 1.00 1.96 H new ATOM 0 HG3 PRO A 12 -0.932 -11.525 17.353 1.00 1.96 H new ATOM 0 HD2 PRO A 12 -1.352 -9.183 15.947 1.00 1.58 H new ATOM 0 HD3 PRO A 12 -0.176 -10.378 15.435 1.00 1.58 H new ATOM 186 N GLY A 13 -4.980 -10.478 13.880 1.00 1.60 N ATOM 187 CA GLY A 13 -6.259 -9.763 13.979 1.00 1.65 C ATOM 188 C GLY A 13 -7.144 -9.834 12.727 1.00 1.59 C ATOM 189 O GLY A 13 -6.812 -10.547 11.780 1.00 1.80 O ATOM 0 H GLY A 13 -4.598 -10.499 12.934 1.00 1.60 H new ATOM 0 HA2 GLY A 13 -6.818 -10.166 14.823 1.00 1.65 H new ATOM 0 HA3 GLY A 13 -6.056 -8.716 14.202 1.00 1.65 H new ATOM 193 N PRO A 14 -8.276 -9.102 12.719 1.00 1.51 N ATOM 194 CA PRO A 14 -9.193 -9.020 11.585 1.00 1.58 C ATOM 195 C PRO A 14 -8.764 -7.986 10.534 1.00 1.33 C ATOM 196 O PRO A 14 -9.290 -8.025 9.427 1.00 1.46 O ATOM 197 CB PRO A 14 -10.535 -8.623 12.208 1.00 1.80 C ATOM 198 CG PRO A 14 -10.116 -7.720 13.369 1.00 1.73 C ATOM 199 CD PRO A 14 -8.820 -8.369 13.858 1.00 1.59 C ATOM 0 HA PRO A 14 -9.227 -9.967 11.046 1.00 1.58 H new ATOM 0 HB2 PRO A 14 -11.172 -8.097 11.496 1.00 1.80 H new ATOM 0 HB3 PRO A 14 -11.094 -9.493 12.553 1.00 1.80 H new ATOM 0 HG2 PRO A 14 -9.955 -6.692 13.043 1.00 1.73 H new ATOM 0 HG3 PRO A 14 -10.874 -7.691 14.152 1.00 1.73 H new ATOM 0 HD2 PRO A 14 -8.115 -7.615 14.208 1.00 1.59 H new ATOM 0 HD3 PRO A 14 -9.012 -9.039 14.696 1.00 1.59 H new ATOM 207 N ASN A 15 -7.834 -7.077 10.860 1.00 1.09 N ATOM 208 CA ASN A 15 -7.300 -6.041 9.969 1.00 0.87 C ATOM 209 C ASN A 15 -5.755 -6.030 10.009 1.00 0.93 C ATOM 210 O ASN A 15 -5.146 -6.442 11.000 1.00 1.12 O ATOM 211 CB ASN A 15 -7.816 -4.649 10.394 1.00 0.96 C ATOM 212 CG ASN A 15 -9.312 -4.392 10.210 1.00 2.38 C ATOM 213 OD1 ASN A 15 -10.101 -5.220 9.785 1.00 4.08 O ATOM 214 ND2 ASN A 15 -9.754 -3.185 10.515 1.00 2.58 N ATOM 0 H ASN A 15 -7.417 -7.044 11.790 1.00 1.09 H new ATOM 0 HA ASN A 15 -7.636 -6.266 8.957 1.00 0.87 H new ATOM 0 HB2 ASN A 15 -7.571 -4.500 11.446 1.00 0.96 H new ATOM 0 HB3 ASN A 15 -7.268 -3.895 9.829 1.00 0.96 H new ATOM 0 HD21 ASN A 15 -10.741 -2.958 10.394 1.00 2.58 H new ATOM 0 HD22 ASN A 15 -9.108 -2.480 10.872 1.00 2.58 H new ATOM 221 N ALA A 16 -5.121 -5.493 8.958 1.00 0.84 N ATOM 222 CA ALA A 16 -3.666 -5.328 8.816 1.00 0.97 C ATOM 223 C ALA A 16 -3.317 -4.237 7.779 1.00 0.75 C ATOM 224 O ALA A 16 -4.174 -3.441 7.404 1.00 0.52 O ATOM 225 CB ALA A 16 -3.022 -6.692 8.500 1.00 1.31 C ATOM 0 H ALA A 16 -5.631 -5.145 8.146 1.00 0.84 H new ATOM 0 HA ALA A 16 -3.248 -4.976 9.759 1.00 0.97 H new ATOM 0 HB1 ALA A 16 -1.944 -6.570 8.395 1.00 1.31 H new ATOM 0 HB2 ALA A 16 -3.231 -7.390 9.311 1.00 1.31 H new ATOM 0 HB3 ALA A 16 -3.435 -7.083 7.570 1.00 1.31 H new ATOM 231 N ALA A 17 -2.068 -4.193 7.311 1.00 1.12 N ATOM 232 CA ALA A 17 -1.540 -3.213 6.357 1.00 0.97 C ATOM 233 C ALA A 17 -0.576 -3.885 5.361 1.00 0.97 C ATOM 234 O ALA A 17 -0.020 -4.946 5.659 1.00 1.24 O ATOM 235 CB ALA A 17 -0.821 -2.109 7.144 1.00 1.04 C ATOM 0 H ALA A 17 -1.363 -4.871 7.600 1.00 1.12 H new ATOM 0 HA ALA A 17 -2.359 -2.783 5.780 1.00 0.97 H new ATOM 0 HB1 ALA A 17 -0.421 -1.369 6.450 1.00 1.04 H new ATOM 0 HB2 ALA A 17 -1.526 -1.627 7.821 1.00 1.04 H new ATOM 0 HB3 ALA A 17 -0.005 -2.545 7.720 1.00 1.04 H new ATOM 241 N ALA A 18 -0.334 -3.232 4.222 1.00 0.81 N ATOM 242 CA ALA A 18 0.681 -3.605 3.239 1.00 0.83 C ATOM 243 C ALA A 18 1.295 -2.381 2.537 1.00 0.80 C ATOM 244 O ALA A 18 0.727 -1.284 2.495 1.00 0.71 O ATOM 245 CB ALA A 18 0.085 -4.603 2.237 1.00 0.94 C ATOM 0 H ALA A 18 -0.859 -2.400 3.951 1.00 0.81 H new ATOM 0 HA ALA A 18 1.505 -4.087 3.765 1.00 0.83 H new ATOM 0 HB1 ALA A 18 0.843 -4.880 1.505 1.00 0.94 H new ATOM 0 HB2 ALA A 18 -0.250 -5.494 2.767 1.00 0.94 H new ATOM 0 HB3 ALA A 18 -0.762 -4.144 1.727 1.00 0.94 H new ATOM 251 N TYR A 19 2.487 -2.607 1.985 1.00 1.05 N ATOM 252 CA TYR A 19 3.383 -1.621 1.372 1.00 1.18 C ATOM 253 C TYR A 19 4.409 -2.343 0.482 1.00 1.03 C ATOM 254 O TYR A 19 4.766 -3.490 0.740 1.00 1.00 O ATOM 255 CB TYR A 19 4.155 -0.780 2.416 1.00 1.36 C ATOM 256 CG TYR A 19 3.605 -0.691 3.826 1.00 1.34 C ATOM 257 CD1 TYR A 19 3.709 -1.808 4.676 1.00 1.85 C ATOM 258 CD2 TYR A 19 3.046 0.508 4.309 1.00 2.61 C ATOM 259 CE1 TYR A 19 3.281 -1.740 6.011 1.00 1.89 C ATOM 260 CE2 TYR A 19 2.604 0.586 5.642 1.00 2.60 C ATOM 261 CZ TYR A 19 2.732 -0.530 6.500 1.00 1.35 C ATOM 262 OH TYR A 19 2.340 -0.414 7.796 1.00 1.43 O ATOM 0 H TYR A 19 2.881 -3.547 1.951 1.00 1.05 H new ATOM 0 HA TYR A 19 2.756 -0.945 0.791 1.00 1.18 H new ATOM 0 HB2 TYR A 19 5.167 -1.180 2.480 1.00 1.36 H new ATOM 0 HB3 TYR A 19 4.237 0.235 2.028 1.00 1.36 H new ATOM 0 HD1 TYR A 19 4.124 -2.730 4.296 1.00 1.85 H new ATOM 0 HD2 TYR A 19 2.957 1.365 3.658 1.00 2.61 H new ATOM 0 HE1 TYR A 19 3.369 -2.601 6.658 1.00 1.89 H new ATOM 0 HE2 TYR A 19 2.165 1.501 6.011 1.00 2.60 H new ATOM 0 HH TYR A 19 1.989 0.488 7.952 1.00 1.43 H new ATOM 272 N LEU A 20 4.930 -1.680 -0.550 1.00 1.14 N ATOM 273 CA LEU A 20 5.844 -2.301 -1.508 1.00 1.15 C ATOM 274 C LEU A 20 6.643 -1.273 -2.297 1.00 1.25 C ATOM 275 O LEU A 20 6.197 -0.136 -2.458 1.00 1.30 O ATOM 276 CB LEU A 20 5.064 -3.243 -2.451 1.00 1.20 C ATOM 277 CG LEU A 20 3.939 -2.536 -3.247 1.00 1.25 C ATOM 278 CD1 LEU A 20 4.078 -2.829 -4.742 1.00 1.65 C ATOM 279 CD2 LEU A 20 2.551 -2.958 -2.742 1.00 1.53 C ATOM 0 H LEU A 20 4.731 -0.699 -0.745 1.00 1.14 H new ATOM 0 HA LEU A 20 6.568 -2.887 -0.941 1.00 1.15 H new ATOM 0 HB2 LEU A 20 5.762 -3.699 -3.153 1.00 1.20 H new ATOM 0 HB3 LEU A 20 4.628 -4.051 -1.864 1.00 1.20 H new ATOM 0 HG LEU A 20 4.040 -1.462 -3.090 1.00 1.25 H new ATOM 0 HD11 LEU A 20 3.280 -2.325 -5.287 1.00 1.65 H new ATOM 0 HD12 LEU A 20 5.044 -2.467 -5.095 1.00 1.65 H new ATOM 0 HD13 LEU A 20 4.010 -3.904 -4.910 1.00 1.65 H new ATOM 0 HD21 LEU A 20 1.782 -2.445 -3.320 1.00 1.53 H new ATOM 0 HD22 LEU A 20 2.434 -4.035 -2.858 1.00 1.53 H new ATOM 0 HD23 LEU A 20 2.451 -2.693 -1.689 1.00 1.53 H new ATOM 291 N THR A 21 7.786 -1.706 -2.833 1.00 1.31 N ATOM 292 CA THR A 21 8.522 -0.973 -3.858 1.00 1.37 C ATOM 293 C THR A 21 7.815 -1.202 -5.182 1.00 1.33 C ATOM 294 O THR A 21 8.008 -2.209 -5.851 1.00 1.62 O ATOM 295 CB THR A 21 9.996 -1.371 -3.899 1.00 1.53 C ATOM 296 OG1 THR A 21 10.516 -1.191 -2.604 1.00 1.59 O ATOM 297 CG2 THR A 21 10.776 -0.448 -4.834 1.00 1.65 C ATOM 0 H THR A 21 8.229 -2.584 -2.563 1.00 1.31 H new ATOM 0 HA THR A 21 8.528 0.093 -3.629 1.00 1.37 H new ATOM 0 HB THR A 21 10.084 -2.400 -4.247 1.00 1.53 H new ATOM 0 HG1 THR A 21 10.342 -1.992 -2.067 1.00 1.59 H new ATOM 0 HG21 THR A 21 11.824 -0.747 -4.850 1.00 1.65 H new ATOM 0 HG22 THR A 21 10.364 -0.517 -5.841 1.00 1.65 H new ATOM 0 HG23 THR A 21 10.698 0.580 -4.479 1.00 1.65 H new ATOM 305 N LEU A 22 6.974 -0.235 -5.522 1.00 1.23 N ATOM 306 CA LEU A 22 6.328 -0.082 -6.815 1.00 1.20 C ATOM 307 C LEU A 22 7.239 0.740 -7.731 1.00 1.05 C ATOM 308 O LEU A 22 7.940 1.645 -7.267 1.00 1.11 O ATOM 309 CB LEU A 22 4.974 0.586 -6.517 1.00 1.27 C ATOM 310 CG LEU A 22 4.055 0.881 -7.718 1.00 1.46 C ATOM 311 CD1 LEU A 22 2.615 0.903 -7.194 1.00 2.62 C ATOM 312 CD2 LEU A 22 4.326 2.252 -8.356 1.00 2.97 C ATOM 0 H LEU A 22 6.711 0.502 -4.868 1.00 1.23 H new ATOM 0 HA LEU A 22 6.155 -1.021 -7.341 1.00 1.20 H new ATOM 0 HB2 LEU A 22 4.428 -0.052 -5.823 1.00 1.27 H new ATOM 0 HB3 LEU A 22 5.168 1.526 -6.001 1.00 1.27 H new ATOM 0 HG LEU A 22 4.233 0.116 -8.473 1.00 1.46 H new ATOM 0 HD11 LEU A 22 1.931 1.110 -8.017 1.00 2.62 H new ATOM 0 HD12 LEU A 22 2.373 -0.065 -6.755 1.00 2.62 H new ATOM 0 HD13 LEU A 22 2.515 1.680 -6.436 1.00 2.62 H new ATOM 0 HD21 LEU A 22 3.648 2.403 -9.196 1.00 2.97 H new ATOM 0 HD22 LEU A 22 4.166 3.036 -7.616 1.00 2.97 H new ATOM 0 HD23 LEU A 22 5.356 2.292 -8.709 1.00 2.97 H new ATOM 324 N GLU A 23 7.192 0.486 -9.038 1.00 1.08 N ATOM 325 CA GLU A 23 7.833 1.370 -10.001 1.00 1.02 C ATOM 326 C GLU A 23 7.128 1.386 -11.352 1.00 1.02 C ATOM 327 O GLU A 23 6.301 0.528 -11.661 1.00 1.26 O ATOM 328 CB GLU A 23 9.335 1.069 -10.136 1.00 1.19 C ATOM 329 CG GLU A 23 9.715 -0.201 -10.904 1.00 1.56 C ATOM 330 CD GLU A 23 11.062 0.030 -11.582 1.00 2.69 C ATOM 331 OE1 GLU A 23 11.025 0.622 -12.686 1.00 4.16 O ATOM 332 OE2 GLU A 23 12.093 -0.304 -10.956 1.00 2.74 O ATOM 0 H GLU A 23 6.720 -0.319 -9.449 1.00 1.08 H new ATOM 0 HA GLU A 23 7.739 2.380 -9.602 1.00 1.02 H new ATOM 0 HB2 GLU A 23 9.810 1.919 -10.627 1.00 1.19 H new ATOM 0 HB3 GLU A 23 9.760 1.001 -9.135 1.00 1.19 H new ATOM 0 HG2 GLU A 23 9.773 -1.052 -10.225 1.00 1.56 H new ATOM 0 HG3 GLU A 23 8.953 -0.438 -11.646 1.00 1.56 H new ATOM 339 N ASN A 24 7.490 2.390 -12.140 1.00 0.89 N ATOM 340 CA ASN A 24 7.124 2.555 -13.528 1.00 0.85 C ATOM 341 C ASN A 24 8.402 2.613 -14.390 1.00 0.82 C ATOM 342 O ASN A 24 9.014 3.682 -14.473 1.00 0.89 O ATOM 343 CB ASN A 24 6.320 3.855 -13.646 1.00 0.82 C ATOM 344 CG ASN A 24 5.875 4.127 -15.069 1.00 0.80 C ATOM 345 OD1 ASN A 24 5.909 3.268 -15.942 1.00 0.89 O ATOM 346 ND2 ASN A 24 5.429 5.335 -15.318 1.00 0.81 N ATOM 0 H ASN A 24 8.080 3.150 -11.802 1.00 0.89 H new ATOM 0 HA ASN A 24 6.520 1.719 -13.880 1.00 0.85 H new ATOM 0 HB2 ASN A 24 5.445 3.799 -12.998 1.00 0.82 H new ATOM 0 HB3 ASN A 24 6.926 4.688 -13.291 1.00 0.82 H new ATOM 0 HD21 ASN A 24 5.101 5.575 -16.254 1.00 0.81 H new ATOM 0 HD22 ASN A 24 5.410 6.035 -14.576 1.00 0.81 H new ATOM 353 N PRO A 25 8.783 1.524 -15.079 1.00 0.85 N ATOM 354 CA PRO A 25 9.910 1.526 -16.009 1.00 0.89 C ATOM 355 C PRO A 25 9.577 2.170 -17.369 1.00 0.90 C ATOM 356 O PRO A 25 10.476 2.312 -18.196 1.00 0.94 O ATOM 357 CB PRO A 25 10.286 0.049 -16.161 1.00 1.00 C ATOM 358 CG PRO A 25 8.947 -0.666 -15.989 1.00 1.03 C ATOM 359 CD PRO A 25 8.242 0.180 -14.933 1.00 0.93 C ATOM 0 HA PRO A 25 10.731 2.132 -15.627 1.00 0.89 H new ATOM 0 HB2 PRO A 25 10.731 -0.156 -17.135 1.00 1.00 H new ATOM 0 HB3 PRO A 25 11.010 -0.263 -15.408 1.00 1.00 H new ATOM 0 HG2 PRO A 25 8.384 -0.699 -16.922 1.00 1.03 H new ATOM 0 HG3 PRO A 25 9.079 -1.697 -15.659 1.00 1.03 H new ATOM 0 HD2 PRO A 25 7.162 0.174 -15.083 1.00 0.93 H new ATOM 0 HD3 PRO A 25 8.427 -0.210 -13.932 1.00 0.93 H new ATOM 367 N GLY A 26 8.317 2.553 -17.624 1.00 0.91 N ATOM 368 CA GLY A 26 7.855 3.129 -18.893 1.00 0.96 C ATOM 369 C GLY A 26 8.084 4.637 -19.017 1.00 0.90 C ATOM 370 O GLY A 26 8.700 5.272 -18.161 1.00 0.92 O ATOM 0 H GLY A 26 7.572 2.468 -16.933 1.00 0.91 H new ATOM 0 HA2 GLY A 26 8.366 2.626 -19.715 1.00 0.96 H new ATOM 0 HA3 GLY A 26 6.790 2.924 -19.006 1.00 0.96 H new ATOM 374 N ASP A 27 7.631 5.193 -20.142 1.00 0.95 N ATOM 375 CA ASP A 27 7.897 6.578 -20.575 1.00 0.97 C ATOM 376 C ASP A 27 6.640 7.471 -20.575 1.00 1.01 C ATOM 377 O ASP A 27 6.711 8.662 -20.865 1.00 1.10 O ATOM 378 CB ASP A 27 8.602 6.527 -21.940 1.00 1.08 C ATOM 379 CG ASP A 27 9.969 5.860 -21.771 1.00 1.54 C ATOM 380 OD1 ASP A 27 10.929 6.560 -21.385 1.00 2.68 O ATOM 381 OD2 ASP A 27 10.042 4.611 -21.803 1.00 2.12 O ATOM 0 H ASP A 27 7.049 4.679 -20.803 1.00 0.95 H new ATOM 0 HA ASP A 27 8.553 7.058 -19.849 1.00 0.97 H new ATOM 0 HB2 ASP A 27 7.997 5.970 -22.655 1.00 1.08 H new ATOM 0 HB3 ASP A 27 8.721 7.534 -22.340 1.00 1.08 H new ATOM 386 N LEU A 28 5.498 6.910 -20.159 1.00 1.00 N ATOM 387 CA LEU A 28 4.273 7.625 -19.793 1.00 1.04 C ATOM 388 C LEU A 28 3.963 7.396 -18.294 1.00 0.91 C ATOM 389 O LEU A 28 4.530 6.467 -17.712 1.00 0.85 O ATOM 390 CB LEU A 28 3.161 7.215 -20.781 1.00 1.23 C ATOM 391 CG LEU A 28 2.703 5.739 -20.776 1.00 1.23 C ATOM 392 CD1 LEU A 28 1.812 5.390 -19.572 1.00 1.68 C ATOM 393 CD2 LEU A 28 1.903 5.470 -22.059 1.00 1.41 C ATOM 0 H LEU A 28 5.400 5.899 -20.065 1.00 1.00 H new ATOM 0 HA LEU A 28 4.375 8.706 -19.887 1.00 1.04 H new ATOM 0 HB2 LEU A 28 2.289 7.837 -20.581 1.00 1.23 H new ATOM 0 HB3 LEU A 28 3.501 7.457 -21.788 1.00 1.23 H new ATOM 0 HG LEU A 28 3.600 5.122 -20.714 1.00 1.23 H new ATOM 0 HD11 LEU A 28 1.523 4.340 -19.625 1.00 1.68 H new ATOM 0 HD12 LEU A 28 2.362 5.569 -18.648 1.00 1.68 H new ATOM 0 HD13 LEU A 28 0.918 6.013 -19.588 1.00 1.68 H new ATOM 0 HD21 LEU A 28 1.572 4.431 -22.071 1.00 1.41 H new ATOM 0 HD22 LEU A 28 1.034 6.128 -22.091 1.00 1.41 H new ATOM 0 HD23 LEU A 28 2.534 5.660 -22.928 1.00 1.41 H new ATOM 405 N PRO A 29 3.117 8.210 -17.634 1.00 0.91 N ATOM 406 CA PRO A 29 2.920 8.144 -16.186 1.00 0.82 C ATOM 407 C PRO A 29 1.936 7.025 -15.792 1.00 0.80 C ATOM 408 O PRO A 29 1.086 6.620 -16.587 1.00 0.90 O ATOM 409 CB PRO A 29 2.386 9.524 -15.793 1.00 0.89 C ATOM 410 CG PRO A 29 1.596 9.956 -17.029 1.00 1.02 C ATOM 411 CD PRO A 29 2.361 9.322 -18.195 1.00 1.05 C ATOM 0 HA PRO A 29 3.848 7.904 -15.666 1.00 0.82 H new ATOM 0 HB2 PRO A 29 1.753 9.474 -14.907 1.00 0.89 H new ATOM 0 HB3 PRO A 29 3.194 10.220 -15.568 1.00 0.89 H new ATOM 0 HG2 PRO A 29 0.566 9.603 -16.988 1.00 1.02 H new ATOM 0 HG3 PRO A 29 1.558 11.042 -17.119 1.00 1.02 H new ATOM 0 HD2 PRO A 29 1.674 8.975 -18.967 1.00 1.05 H new ATOM 0 HD3 PRO A 29 3.027 10.047 -18.663 1.00 1.05 H new ATOM 419 N LEU A 30 2.014 6.563 -14.536 1.00 0.73 N ATOM 420 CA LEU A 30 1.049 5.625 -13.946 1.00 0.75 C ATOM 421 C LEU A 30 0.157 6.311 -12.922 1.00 0.76 C ATOM 422 O LEU A 30 0.595 7.174 -12.165 1.00 0.94 O ATOM 423 CB LEU A 30 1.738 4.440 -13.260 1.00 0.77 C ATOM 424 CG LEU A 30 2.496 3.523 -14.220 1.00 0.97 C ATOM 425 CD1 LEU A 30 2.982 2.292 -13.456 1.00 1.61 C ATOM 426 CD2 LEU A 30 1.724 3.041 -15.451 1.00 2.05 C ATOM 0 H LEU A 30 2.758 6.834 -13.893 1.00 0.73 H new ATOM 0 HA LEU A 30 0.447 5.259 -14.778 1.00 0.75 H new ATOM 0 HB2 LEU A 30 2.433 4.820 -12.512 1.00 0.77 H new ATOM 0 HB3 LEU A 30 0.988 3.854 -12.729 1.00 0.77 H new ATOM 0 HG LEU A 30 3.307 4.142 -14.605 1.00 0.97 H new ATOM 0 HD11 LEU A 30 3.524 1.633 -14.135 1.00 1.61 H new ATOM 0 HD12 LEU A 30 3.643 2.603 -12.647 1.00 1.61 H new ATOM 0 HD13 LEU A 30 2.126 1.760 -13.040 1.00 1.61 H new ATOM 0 HD21 LEU A 30 2.366 2.399 -16.054 1.00 2.05 H new ATOM 0 HD22 LEU A 30 0.845 2.480 -15.133 1.00 2.05 H new ATOM 0 HD23 LEU A 30 1.411 3.901 -16.043 1.00 2.05 H new ATOM 438 N ARG A 31 -1.070 5.796 -12.830 1.00 0.64 N ATOM 439 CA ARG A 31 -2.040 6.102 -11.768 1.00 0.55 C ATOM 440 C ARG A 31 -2.422 4.809 -11.047 1.00 0.49 C ATOM 441 O ARG A 31 -3.085 3.958 -11.639 1.00 0.50 O ATOM 442 CB ARG A 31 -3.269 6.803 -12.374 1.00 0.61 C ATOM 443 CG ARG A 31 -4.237 7.333 -11.302 1.00 0.64 C ATOM 444 CD ARG A 31 -5.372 8.174 -11.910 1.00 1.15 C ATOM 445 NE ARG A 31 -6.427 7.357 -12.547 1.00 3.24 N ATOM 446 CZ ARG A 31 -7.330 7.800 -13.420 1.00 4.31 C ATOM 447 NH1 ARG A 31 -7.390 9.074 -13.766 1.00 3.77 N ATOM 448 NH2 ARG A 31 -8.196 6.977 -13.976 1.00 6.34 N ATOM 0 H ARG A 31 -1.432 5.131 -13.514 1.00 0.64 H new ATOM 0 HA ARG A 31 -1.599 6.780 -11.037 1.00 0.55 H new ATOM 0 HB2 ARG A 31 -2.938 7.631 -13.001 1.00 0.61 H new ATOM 0 HB3 ARG A 31 -3.798 6.105 -13.022 1.00 0.61 H new ATOM 0 HG2 ARG A 31 -4.663 6.494 -10.753 1.00 0.64 H new ATOM 0 HG3 ARG A 31 -3.684 7.937 -10.583 1.00 0.64 H new ATOM 0 HD2 ARG A 31 -5.819 8.788 -11.128 1.00 1.15 H new ATOM 0 HD3 ARG A 31 -4.953 8.856 -12.650 1.00 1.15 H new ATOM 0 HE ARG A 31 -6.467 6.369 -12.296 1.00 3.24 H new ATOM 0 HH11 ARG A 31 -6.735 9.744 -13.362 1.00 3.77 H new ATOM 0 HH12 ARG A 31 -8.091 9.388 -14.437 1.00 3.77 H new ATOM 0 HH21 ARG A 31 -8.181 5.985 -13.740 1.00 6.34 H new ATOM 0 HH22 ARG A 31 -8.881 7.332 -14.643 1.00 6.34 H new ATOM 462 N LEU A 32 -2.016 4.633 -9.795 1.00 0.50 N ATOM 463 CA LEU A 32 -2.384 3.494 -8.947 1.00 0.46 C ATOM 464 C LEU A 32 -3.758 3.783 -8.327 1.00 0.50 C ATOM 465 O LEU A 32 -3.936 4.837 -7.741 1.00 0.77 O ATOM 466 CB LEU A 32 -1.279 3.336 -7.887 1.00 0.46 C ATOM 467 CG LEU A 32 -1.501 2.219 -6.848 1.00 0.45 C ATOM 468 CD1 LEU A 32 -1.321 0.823 -7.465 1.00 0.57 C ATOM 469 CD2 LEU A 32 -0.502 2.419 -5.703 1.00 0.66 C ATOM 0 H LEU A 32 -1.402 5.297 -9.323 1.00 0.50 H new ATOM 0 HA LEU A 32 -2.464 2.560 -9.504 1.00 0.46 H new ATOM 0 HB2 LEU A 32 -0.335 3.148 -8.399 1.00 0.46 H new ATOM 0 HB3 LEU A 32 -1.172 4.283 -7.358 1.00 0.46 H new ATOM 0 HG LEU A 32 -2.525 2.279 -6.480 1.00 0.45 H new ATOM 0 HD11 LEU A 32 -1.486 0.063 -6.701 1.00 0.57 H new ATOM 0 HD12 LEU A 32 -2.040 0.687 -8.273 1.00 0.57 H new ATOM 0 HD13 LEU A 32 -0.309 0.727 -7.860 1.00 0.57 H new ATOM 0 HD21 LEU A 32 -0.643 1.638 -4.956 1.00 0.66 H new ATOM 0 HD22 LEU A 32 0.514 2.368 -6.094 1.00 0.66 H new ATOM 0 HD23 LEU A 32 -0.666 3.394 -5.243 1.00 0.66 H new ATOM 481 N VAL A 33 -4.730 2.881 -8.453 1.00 0.41 N ATOM 482 CA VAL A 33 -6.129 3.115 -8.022 1.00 0.44 C ATOM 483 C VAL A 33 -6.610 2.129 -6.949 1.00 0.45 C ATOM 484 O VAL A 33 -7.667 2.334 -6.359 1.00 0.52 O ATOM 485 CB VAL A 33 -7.112 3.122 -9.221 1.00 0.50 C ATOM 486 CG1 VAL A 33 -6.786 4.270 -10.198 1.00 0.53 C ATOM 487 CG2 VAL A 33 -7.139 1.803 -10.012 1.00 0.57 C ATOM 0 H VAL A 33 -4.579 1.957 -8.858 1.00 0.41 H new ATOM 0 HA VAL A 33 -6.124 4.106 -7.568 1.00 0.44 H new ATOM 0 HB VAL A 33 -8.097 3.262 -8.776 1.00 0.50 H new ATOM 0 HG11 VAL A 33 -7.491 4.251 -11.029 1.00 0.53 H new ATOM 0 HG12 VAL A 33 -6.864 5.224 -9.677 1.00 0.53 H new ATOM 0 HG13 VAL A 33 -5.772 4.147 -10.579 1.00 0.53 H new ATOM 0 HG21 VAL A 33 -7.850 1.886 -10.834 1.00 0.57 H new ATOM 0 HG22 VAL A 33 -6.146 1.597 -10.411 1.00 0.57 H new ATOM 0 HG23 VAL A 33 -7.441 0.989 -9.352 1.00 0.57 H new ATOM 497 N GLY A 34 -5.847 1.060 -6.683 1.00 0.43 N ATOM 498 CA GLY A 34 -6.165 0.092 -5.644 1.00 0.47 C ATOM 499 C GLY A 34 -5.213 -1.095 -5.650 1.00 0.45 C ATOM 500 O GLY A 34 -4.142 -1.060 -6.259 1.00 0.42 O ATOM 0 H GLY A 34 -4.988 0.848 -7.190 1.00 0.43 H new ATOM 0 HA2 GLY A 34 -6.126 0.581 -4.671 1.00 0.47 H new ATOM 0 HA3 GLY A 34 -7.186 -0.263 -5.782 1.00 0.47 H new ATOM 504 N ALA A 35 -5.645 -2.160 -4.991 1.00 0.53 N ATOM 505 CA ALA A 35 -4.968 -3.448 -4.930 1.00 0.51 C ATOM 506 C ALA A 35 -5.998 -4.583 -4.829 1.00 0.59 C ATOM 507 O ALA A 35 -7.194 -4.297 -4.727 1.00 0.81 O ATOM 508 CB ALA A 35 -4.032 -3.425 -3.712 1.00 0.80 C ATOM 0 H ALA A 35 -6.516 -2.150 -4.460 1.00 0.53 H new ATOM 0 HA ALA A 35 -4.386 -3.626 -5.834 1.00 0.51 H new ATOM 0 HB1 ALA A 35 -3.508 -4.378 -3.638 1.00 0.80 H new ATOM 0 HB2 ALA A 35 -3.306 -2.620 -3.826 1.00 0.80 H new ATOM 0 HB3 ALA A 35 -4.617 -3.261 -2.807 1.00 0.80 H new ATOM 514 N ARG A 36 -5.568 -5.853 -4.784 1.00 0.55 N ATOM 515 CA ARG A 36 -6.465 -6.964 -4.417 1.00 0.58 C ATOM 516 C ARG A 36 -5.628 -8.168 -4.013 1.00 0.59 C ATOM 517 O ARG A 36 -4.604 -8.421 -4.643 1.00 0.74 O ATOM 518 CB ARG A 36 -7.494 -7.294 -5.527 1.00 0.81 C ATOM 519 CG ARG A 36 -6.856 -7.775 -6.835 1.00 1.60 C ATOM 520 CD ARG A 36 -7.846 -7.952 -7.992 1.00 2.70 C ATOM 521 NE ARG A 36 -7.164 -8.507 -9.176 1.00 4.16 N ATOM 522 CZ ARG A 36 -7.666 -8.690 -10.388 1.00 5.20 C ATOM 523 NH1 ARG A 36 -8.897 -8.333 -10.709 1.00 5.33 N ATOM 524 NH2 ARG A 36 -6.898 -9.259 -11.289 1.00 6.64 N ATOM 0 H ARG A 36 -4.611 -6.137 -4.995 1.00 0.55 H new ATOM 0 HA ARG A 36 -7.069 -6.658 -3.563 1.00 0.58 H new ATOM 0 HB2 ARG A 36 -8.176 -8.062 -5.162 1.00 0.81 H new ATOM 0 HB3 ARG A 36 -8.093 -6.406 -5.730 1.00 0.81 H new ATOM 0 HG2 ARG A 36 -6.088 -7.062 -7.135 1.00 1.60 H new ATOM 0 HG3 ARG A 36 -6.354 -8.725 -6.653 1.00 1.60 H new ATOM 0 HD2 ARG A 36 -8.656 -8.615 -7.687 1.00 2.70 H new ATOM 0 HD3 ARG A 36 -8.298 -6.992 -8.242 1.00 2.70 H new ATOM 0 HE ARG A 36 -6.191 -8.783 -9.046 1.00 4.16 H new ATOM 0 HH11 ARG A 36 -9.500 -7.898 -10.011 1.00 5.33 H new ATOM 0 HH12 ARG A 36 -9.244 -8.492 -11.655 1.00 5.33 H new ATOM 0 HH21 ARG A 36 -5.950 -9.543 -11.044 1.00 6.64 H new ATOM 0 HH22 ARG A 36 -7.250 -9.416 -12.233 1.00 6.64 H new ATOM 538 N THR A 37 -6.040 -8.892 -2.969 1.00 0.54 N ATOM 539 CA THR A 37 -5.301 -10.014 -2.379 1.00 0.59 C ATOM 540 C THR A 37 -6.305 -11.062 -1.885 1.00 0.68 C ATOM 541 O THR A 37 -7.369 -10.655 -1.415 1.00 0.70 O ATOM 542 CB THR A 37 -4.403 -9.515 -1.241 1.00 0.56 C ATOM 543 OG1 THR A 37 -3.734 -10.620 -0.720 1.00 0.66 O ATOM 544 CG2 THR A 37 -5.127 -8.834 -0.081 1.00 0.52 C ATOM 0 H THR A 37 -6.925 -8.709 -2.495 1.00 0.54 H new ATOM 0 HA THR A 37 -4.654 -10.473 -3.127 1.00 0.59 H new ATOM 0 HB THR A 37 -3.752 -8.759 -1.680 1.00 0.56 H new ATOM 0 HG1 THR A 37 -2.948 -10.816 -1.271 1.00 0.66 H new ATOM 0 HG21 THR A 37 -4.400 -8.520 0.668 1.00 0.52 H new ATOM 0 HG22 THR A 37 -5.667 -7.962 -0.451 1.00 0.52 H new ATOM 0 HG23 THR A 37 -5.832 -9.533 0.369 1.00 0.52 H new ATOM 552 N PRO A 38 -6.014 -12.381 -1.930 1.00 0.85 N ATOM 553 CA PRO A 38 -6.943 -13.396 -1.435 1.00 1.01 C ATOM 554 C PRO A 38 -7.163 -13.323 0.077 1.00 1.09 C ATOM 555 O PRO A 38 -8.192 -13.784 0.556 1.00 1.31 O ATOM 556 CB PRO A 38 -6.326 -14.737 -1.832 1.00 1.17 C ATOM 557 CG PRO A 38 -4.832 -14.452 -1.924 1.00 1.13 C ATOM 558 CD PRO A 38 -4.813 -13.023 -2.457 1.00 0.96 C ATOM 0 HA PRO A 38 -7.933 -13.246 -1.866 1.00 1.01 H new ATOM 0 HB2 PRO A 38 -6.539 -15.508 -1.091 1.00 1.17 H new ATOM 0 HB3 PRO A 38 -6.723 -15.091 -2.783 1.00 1.17 H new ATOM 0 HG2 PRO A 38 -4.341 -14.532 -0.954 1.00 1.13 H new ATOM 0 HG3 PRO A 38 -4.325 -15.145 -2.596 1.00 1.13 H new ATOM 0 HD2 PRO A 38 -3.915 -12.497 -2.132 1.00 0.96 H new ATOM 0 HD3 PRO A 38 -4.812 -13.013 -3.547 1.00 0.96 H new ATOM 566 N VAL A 39 -6.222 -12.741 0.826 1.00 1.00 N ATOM 567 CA VAL A 39 -6.269 -12.721 2.303 1.00 1.11 C ATOM 568 C VAL A 39 -7.263 -11.700 2.896 1.00 1.14 C ATOM 569 O VAL A 39 -7.379 -11.615 4.116 1.00 1.28 O ATOM 570 CB VAL A 39 -4.864 -12.573 2.945 1.00 1.16 C ATOM 571 CG1 VAL A 39 -3.884 -13.593 2.338 1.00 1.23 C ATOM 572 CG2 VAL A 39 -4.276 -11.158 2.825 1.00 1.10 C ATOM 0 H VAL A 39 -5.406 -12.270 0.434 1.00 1.00 H new ATOM 0 HA VAL A 39 -6.657 -13.704 2.569 1.00 1.11 H new ATOM 0 HB VAL A 39 -5.001 -12.768 4.009 1.00 1.16 H new ATOM 0 HG11 VAL A 39 -2.904 -13.475 2.800 1.00 1.23 H new ATOM 0 HG12 VAL A 39 -4.251 -14.603 2.519 1.00 1.23 H new ATOM 0 HG13 VAL A 39 -3.802 -13.424 1.264 1.00 1.23 H new ATOM 0 HG21 VAL A 39 -3.293 -11.131 3.296 1.00 1.10 H new ATOM 0 HG22 VAL A 39 -4.181 -10.891 1.772 1.00 1.10 H new ATOM 0 HG23 VAL A 39 -4.936 -10.446 3.321 1.00 1.10 H new ATOM 582 N ALA A 40 -7.990 -10.933 2.070 1.00 1.06 N ATOM 583 CA ALA A 40 -8.812 -9.785 2.477 1.00 0.99 C ATOM 584 C ALA A 40 -10.343 -9.968 2.355 1.00 1.32 C ATOM 585 O ALA A 40 -10.868 -10.912 1.762 1.00 2.10 O ATOM 586 CB ALA A 40 -8.361 -8.591 1.632 1.00 1.68 C ATOM 0 H ALA A 40 -8.022 -11.102 1.065 1.00 1.06 H new ATOM 0 HA ALA A 40 -8.652 -9.644 3.546 1.00 0.99 H new ATOM 0 HB1 ALA A 40 -8.947 -7.712 1.902 1.00 1.68 H new ATOM 0 HB2 ALA A 40 -7.305 -8.393 1.816 1.00 1.68 H new ATOM 0 HB3 ALA A 40 -8.509 -8.816 0.576 1.00 1.68 H new ATOM 592 N GLU A 41 -11.082 -9.029 2.954 1.00 1.13 N ATOM 593 CA GLU A 41 -12.350 -8.532 2.408 1.00 1.27 C ATOM 594 C GLU A 41 -11.996 -7.459 1.349 1.00 0.88 C ATOM 595 O GLU A 41 -11.488 -7.805 0.284 1.00 1.22 O ATOM 596 CB GLU A 41 -13.263 -8.048 3.561 1.00 1.61 C ATOM 597 CG GLU A 41 -14.712 -7.716 3.168 1.00 2.17 C ATOM 598 CD GLU A 41 -15.080 -6.293 3.584 1.00 4.83 C ATOM 599 OE1 GLU A 41 -14.746 -5.378 2.811 1.00 5.99 O ATOM 600 OE2 GLU A 41 -15.645 -6.076 4.677 1.00 6.33 O ATOM 0 H GLU A 41 -10.817 -8.590 3.836 1.00 1.13 H new ATOM 0 HA GLU A 41 -12.933 -9.305 1.906 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -13.282 -8.818 4.332 1.00 1.61 H new ATOM 0 HB3 GLU A 41 -12.814 -7.161 4.007 1.00 1.61 H new ATOM 0 HG2 GLU A 41 -14.835 -7.827 2.091 1.00 2.17 H new ATOM 0 HG3 GLU A 41 -15.392 -8.424 3.641 1.00 2.17 H new ATOM 607 N ARG A 42 -12.161 -6.166 1.654 1.00 0.90 N ATOM 608 CA ARG A 42 -11.626 -5.052 0.862 1.00 1.05 C ATOM 609 C ARG A 42 -10.134 -4.803 1.132 1.00 0.97 C ATOM 610 O ARG A 42 -9.557 -5.247 2.126 1.00 1.32 O ATOM 611 CB ARG A 42 -12.441 -3.773 1.145 1.00 1.60 C ATOM 612 CG ARG A 42 -12.048 -3.136 2.490 1.00 1.47 C ATOM 613 CD ARG A 42 -13.066 -2.131 3.020 1.00 1.43 C ATOM 614 NE ARG A 42 -14.206 -2.836 3.610 1.00 2.06 N ATOM 615 CZ ARG A 42 -14.990 -2.418 4.585 1.00 2.85 C ATOM 616 NH1 ARG A 42 -14.934 -1.171 5.011 1.00 3.05 N ATOM 617 NH2 ARG A 42 -15.821 -3.281 5.130 1.00 4.19 N ATOM 0 H ARG A 42 -12.681 -5.859 2.476 1.00 0.90 H new ATOM 0 HA ARG A 42 -11.718 -5.324 -0.190 1.00 1.05 H new ATOM 0 HB2 ARG A 42 -12.282 -3.054 0.341 1.00 1.60 H new ATOM 0 HB3 ARG A 42 -13.504 -4.013 1.152 1.00 1.60 H new ATOM 0 HG2 ARG A 42 -11.913 -3.926 3.229 1.00 1.47 H new ATOM 0 HG3 ARG A 42 -11.085 -2.638 2.377 1.00 1.47 H new ATOM 0 HD2 ARG A 42 -12.600 -1.488 3.766 1.00 1.43 H new ATOM 0 HD3 ARG A 42 -13.407 -1.485 2.211 1.00 1.43 H new ATOM 0 HE ARG A 42 -14.418 -3.755 3.223 1.00 2.06 H new ATOM 0 HH11 ARG A 42 -14.278 -0.516 4.586 1.00 3.05 H new ATOM 0 HH12 ARG A 42 -15.546 -0.862 5.766 1.00 3.05 H new ATOM 0 HH21 ARG A 42 -15.847 -4.245 4.797 1.00 4.19 H new ATOM 0 HH22 ARG A 42 -16.439 -2.986 5.886 1.00 4.19 H new ATOM 631 N VAL A 43 -9.546 -3.960 0.289 1.00 0.75 N ATOM 632 CA VAL A 43 -8.277 -3.263 0.517 1.00 0.62 C ATOM 633 C VAL A 43 -8.450 -1.809 0.060 1.00 0.70 C ATOM 634 O VAL A 43 -8.994 -1.573 -1.017 1.00 1.07 O ATOM 635 CB VAL A 43 -7.101 -3.979 -0.187 1.00 0.98 C ATOM 636 CG1 VAL A 43 -7.278 -4.162 -1.700 1.00 1.46 C ATOM 637 CG2 VAL A 43 -5.767 -3.266 0.072 1.00 1.16 C ATOM 0 H VAL A 43 -9.958 -3.731 -0.616 1.00 0.75 H new ATOM 0 HA VAL A 43 -8.023 -3.274 1.577 1.00 0.62 H new ATOM 0 HB VAL A 43 -7.093 -4.974 0.259 1.00 0.98 H new ATOM 0 HG11 VAL A 43 -6.406 -4.673 -2.109 1.00 1.46 H new ATOM 0 HG12 VAL A 43 -8.171 -4.757 -1.893 1.00 1.46 H new ATOM 0 HG13 VAL A 43 -7.383 -3.186 -2.175 1.00 1.46 H new ATOM 0 HG21 VAL A 43 -4.965 -3.798 -0.439 1.00 1.16 H new ATOM 0 HG22 VAL A 43 -5.821 -2.244 -0.304 1.00 1.16 H new ATOM 0 HG23 VAL A 43 -5.566 -3.248 1.143 1.00 1.16 H new ATOM 647 N GLU A 44 -8.037 -0.850 0.890 1.00 0.51 N ATOM 648 CA GLU A 44 -8.202 0.593 0.657 1.00 0.51 C ATOM 649 C GLU A 44 -6.824 1.272 0.615 1.00 0.49 C ATOM 650 O GLU A 44 -6.033 1.086 1.540 1.00 0.53 O ATOM 651 CB GLU A 44 -9.030 1.231 1.798 1.00 0.54 C ATOM 652 CG GLU A 44 -10.482 0.730 1.918 1.00 0.66 C ATOM 653 CD GLU A 44 -11.269 1.390 3.066 1.00 0.98 C ATOM 654 OE1 GLU A 44 -10.865 2.495 3.502 1.00 1.97 O ATOM 655 OE2 GLU A 44 -12.289 0.786 3.484 1.00 1.82 O ATOM 0 H GLU A 44 -7.564 -1.058 1.770 1.00 0.51 H new ATOM 0 HA GLU A 44 -8.720 0.732 -0.292 1.00 0.51 H new ATOM 0 HB2 GLU A 44 -8.520 1.045 2.743 1.00 0.54 H new ATOM 0 HB3 GLU A 44 -9.047 2.311 1.652 1.00 0.54 H new ATOM 0 HG2 GLU A 44 -11.001 0.917 0.978 1.00 0.66 H new ATOM 0 HG3 GLU A 44 -10.474 -0.350 2.068 1.00 0.66 H new ATOM 662 N LEU A 45 -6.503 2.067 -0.420 1.00 0.48 N ATOM 663 CA LEU A 45 -5.313 2.905 -0.389 1.00 0.48 C ATOM 664 C LEU A 45 -5.582 4.194 0.388 1.00 0.47 C ATOM 665 O LEU A 45 -6.435 5.014 0.025 1.00 0.50 O ATOM 666 CB LEU A 45 -4.805 3.151 -1.814 1.00 0.51 C ATOM 667 CG LEU A 45 -3.331 3.598 -1.787 1.00 0.53 C ATOM 668 CD1 LEU A 45 -2.640 3.207 -3.079 1.00 0.54 C ATOM 669 CD2 LEU A 45 -3.164 5.107 -1.682 1.00 0.66 C ATOM 0 H LEU A 45 -7.051 2.140 -1.277 1.00 0.48 H new ATOM 0 HA LEU A 45 -4.515 2.389 0.145 1.00 0.48 H new ATOM 0 HB2 LEU A 45 -4.905 2.241 -2.405 1.00 0.51 H new ATOM 0 HB3 LEU A 45 -5.415 3.914 -2.298 1.00 0.51 H new ATOM 0 HG LEU A 45 -2.902 3.112 -0.910 1.00 0.53 H new ATOM 0 HD11 LEU A 45 -1.599 3.529 -3.047 1.00 0.54 H new ATOM 0 HD12 LEU A 45 -2.682 2.125 -3.201 1.00 0.54 H new ATOM 0 HD13 LEU A 45 -3.142 3.686 -3.920 1.00 0.54 H new ATOM 0 HD21 LEU A 45 -2.103 5.355 -1.668 1.00 0.66 H new ATOM 0 HD22 LEU A 45 -3.637 5.586 -2.539 1.00 0.66 H new ATOM 0 HD23 LEU A 45 -3.632 5.462 -0.764 1.00 0.66 H new ATOM 681 N HIS A 46 -4.801 4.367 1.448 1.00 0.47 N ATOM 682 CA HIS A 46 -4.800 5.535 2.319 1.00 0.49 C ATOM 683 C HIS A 46 -3.519 6.390 2.179 1.00 0.51 C ATOM 684 O HIS A 46 -2.438 5.896 1.848 1.00 0.49 O ATOM 685 CB HIS A 46 -4.987 5.080 3.779 1.00 0.53 C ATOM 686 CG HIS A 46 -6.334 4.534 4.220 1.00 0.54 C ATOM 687 ND1 HIS A 46 -6.742 4.465 5.553 1.00 0.61 N ATOM 688 CD2 HIS A 46 -7.361 4.074 3.444 1.00 0.58 C ATOM 689 CE1 HIS A 46 -7.961 3.900 5.542 1.00 0.67 C ATOM 690 NE2 HIS A 46 -8.362 3.651 4.289 1.00 0.62 N ATOM 0 H HIS A 46 -4.120 3.664 1.736 1.00 0.47 H new ATOM 0 HA HIS A 46 -5.629 6.174 2.015 1.00 0.49 H new ATOM 0 HB2 HIS A 46 -4.240 4.312 3.981 1.00 0.53 H new ATOM 0 HB3 HIS A 46 -4.752 5.930 4.420 1.00 0.53 H new ATOM 0 HD2 HIS A 46 -7.383 4.047 2.365 1.00 0.58 H new ATOM 0 HE1 HIS A 46 -8.540 3.677 6.426 1.00 0.67 H new ATOM 0 HE2 HIS A 46 -9.247 3.226 4.012 1.00 0.62 H new ATOM 698 N GLU A 47 -3.665 7.682 2.473 1.00 0.57 N ATOM 699 CA GLU A 47 -2.604 8.668 2.715 1.00 0.63 C ATOM 700 C GLU A 47 -2.339 8.824 4.227 1.00 0.64 C ATOM 701 O GLU A 47 -3.090 8.315 5.067 1.00 0.70 O ATOM 702 CB GLU A 47 -2.999 10.027 2.094 1.00 0.77 C ATOM 703 CG GLU A 47 -4.311 10.569 2.684 1.00 0.85 C ATOM 704 CD GLU A 47 -4.682 11.967 2.215 1.00 1.24 C ATOM 705 OE1 GLU A 47 -4.943 12.167 1.013 1.00 2.12 O ATOM 706 OE2 GLU A 47 -4.923 12.819 3.094 1.00 2.18 O ATOM 0 H GLU A 47 -4.592 8.100 2.555 1.00 0.57 H new ATOM 0 HA GLU A 47 -1.686 8.316 2.244 1.00 0.63 H new ATOM 0 HB2 GLU A 47 -2.200 10.749 2.263 1.00 0.77 H new ATOM 0 HB3 GLU A 47 -3.105 9.916 1.015 1.00 0.77 H new ATOM 0 HG2 GLU A 47 -5.120 9.886 2.426 1.00 0.85 H new ATOM 0 HG3 GLU A 47 -4.232 10.573 3.771 1.00 0.85 H new ATOM 713 N THR A 48 -1.289 9.568 4.586 1.00 0.74 N ATOM 714 CA THR A 48 -0.942 9.930 5.968 1.00 0.77 C ATOM 715 C THR A 48 -0.633 11.422 6.001 1.00 0.99 C ATOM 716 O THR A 48 0.474 11.845 5.681 1.00 1.13 O ATOM 717 CB THR A 48 0.237 9.083 6.448 1.00 0.89 C ATOM 718 OG1 THR A 48 -0.139 7.731 6.309 1.00 0.97 O ATOM 719 CG2 THR A 48 0.593 9.352 7.909 1.00 1.00 C ATOM 0 H THR A 48 -0.634 9.948 3.903 1.00 0.74 H new ATOM 0 HA THR A 48 -1.771 9.729 6.647 1.00 0.77 H new ATOM 0 HB THR A 48 1.116 9.333 5.854 1.00 0.89 H new ATOM 0 HG1 THR A 48 0.643 7.158 6.453 1.00 0.97 H new ATOM 0 HG21 THR A 48 1.436 8.725 8.199 1.00 1.00 H new ATOM 0 HG22 THR A 48 0.862 10.401 8.031 1.00 1.00 H new ATOM 0 HG23 THR A 48 -0.265 9.122 8.541 1.00 1.00 H new ATOM 727 N PHE A 49 -1.652 12.222 6.295 1.00 1.26 N ATOM 728 CA PHE A 49 -1.647 13.656 6.040 1.00 1.45 C ATOM 729 C PHE A 49 -1.277 14.482 7.267 1.00 1.46 C ATOM 730 O PHE A 49 -1.594 14.140 8.407 1.00 1.52 O ATOM 731 CB PHE A 49 -2.988 14.096 5.444 1.00 1.51 C ATOM 732 CG PHE A 49 -4.211 14.018 6.348 1.00 1.45 C ATOM 733 CD1 PHE A 49 -4.931 12.816 6.500 1.00 2.23 C ATOM 734 CD2 PHE A 49 -4.683 15.185 6.977 1.00 2.19 C ATOM 735 CE1 PHE A 49 -6.101 12.784 7.283 1.00 2.22 C ATOM 736 CE2 PHE A 49 -5.854 15.155 7.750 1.00 2.25 C ATOM 737 CZ PHE A 49 -6.558 13.953 7.908 1.00 1.51 C ATOM 0 H PHE A 49 -2.515 11.887 6.723 1.00 1.26 H new ATOM 0 HA PHE A 49 -0.861 13.848 5.310 1.00 1.45 H new ATOM 0 HB2 PHE A 49 -2.885 15.126 5.104 1.00 1.51 H new ATOM 0 HB3 PHE A 49 -3.181 13.487 4.561 1.00 1.51 H new ATOM 0 HD1 PHE A 49 -4.584 11.916 6.014 1.00 2.23 H new ATOM 0 HD2 PHE A 49 -4.140 16.111 6.864 1.00 2.19 H new ATOM 0 HE1 PHE A 49 -6.646 11.859 7.402 1.00 2.22 H new ATOM 0 HE2 PHE A 49 -6.213 16.057 8.223 1.00 2.25 H new ATOM 0 HZ PHE A 49 -7.453 13.927 8.512 1.00 1.51 H new ATOM 747 N MET A 50 -0.653 15.627 7.009 1.00 1.46 N ATOM 748 CA MET A 50 -0.341 16.638 8.002 1.00 1.40 C ATOM 749 C MET A 50 -1.587 17.473 8.312 1.00 1.54 C ATOM 750 O MET A 50 -2.350 17.811 7.407 1.00 2.24 O ATOM 751 CB MET A 50 0.801 17.487 7.437 1.00 2.07 C ATOM 752 CG MET A 50 1.562 18.121 8.587 1.00 2.60 C ATOM 753 SD MET A 50 3.029 19.050 8.076 1.00 3.17 S ATOM 754 CE MET A 50 2.207 20.498 7.363 1.00 4.64 C ATOM 0 H MET A 50 -0.342 15.881 6.071 1.00 1.46 H new ATOM 0 HA MET A 50 -0.028 16.191 8.946 1.00 1.40 H new ATOM 0 HB2 MET A 50 1.470 16.868 6.839 1.00 2.07 H new ATOM 0 HB3 MET A 50 0.405 18.259 6.777 1.00 2.07 H new ATOM 0 HG2 MET A 50 0.892 18.789 9.128 1.00 2.60 H new ATOM 0 HG3 MET A 50 1.864 17.339 9.284 1.00 2.60 H new ATOM 0 HE1 MET A 50 2.492 20.599 6.316 1.00 4.64 H new ATOM 0 HE2 MET A 50 1.126 20.375 7.435 1.00 4.64 H new ATOM 0 HE3 MET A 50 2.507 21.392 7.909 1.00 4.64 H new ATOM 764 N ARG A 51 -1.797 17.799 9.588 1.00 1.31 N ATOM 765 CA ARG A 51 -2.992 18.505 10.057 1.00 1.81 C ATOM 766 C ARG A 51 -2.748 19.195 11.396 1.00 1.73 C ATOM 767 O ARG A 51 -2.585 18.540 12.418 1.00 1.89 O ATOM 768 CB ARG A 51 -4.201 17.555 10.140 1.00 2.22 C ATOM 769 CG ARG A 51 -3.887 16.165 10.739 1.00 4.26 C ATOM 770 CD ARG A 51 -5.130 15.470 11.298 1.00 5.23 C ATOM 771 NE ARG A 51 -5.594 16.110 12.544 1.00 6.93 N ATOM 772 CZ ARG A 51 -5.616 15.583 13.765 1.00 8.74 C ATOM 773 NH1 ARG A 51 -5.094 14.410 14.054 1.00 9.26 N ATOM 774 NH2 ARG A 51 -6.188 16.253 14.741 1.00 10.31 N ATOM 0 H ARG A 51 -1.136 17.579 10.333 1.00 1.31 H new ATOM 0 HA ARG A 51 -3.220 19.280 9.325 1.00 1.81 H new ATOM 0 HB2 ARG A 51 -4.978 18.028 10.741 1.00 2.22 H new ATOM 0 HB3 ARG A 51 -4.610 17.421 9.139 1.00 2.22 H new ATOM 0 HG2 ARG A 51 -3.438 15.536 9.971 1.00 4.26 H new ATOM 0 HG3 ARG A 51 -3.148 16.274 11.533 1.00 4.26 H new ATOM 0 HD2 ARG A 51 -5.928 15.496 10.556 1.00 5.23 H new ATOM 0 HD3 ARG A 51 -4.906 14.420 11.488 1.00 5.23 H new ATOM 0 HE ARG A 51 -5.937 17.067 12.459 1.00 6.93 H new ATOM 0 HH11 ARG A 51 -4.645 13.858 13.324 1.00 9.26 H new ATOM 0 HH12 ARG A 51 -5.139 14.053 15.008 1.00 9.26 H new ATOM 0 HH21 ARG A 51 -6.607 17.164 14.557 1.00 10.31 H new ATOM 0 HH22 ARG A 51 -6.212 15.861 15.683 1.00 10.31 H new ATOM 788 N GLU A 52 -2.781 20.519 11.397 1.00 1.59 N ATOM 789 CA GLU A 52 -2.675 21.342 12.601 1.00 1.57 C ATOM 790 C GLU A 52 -4.059 21.630 13.179 1.00 1.57 C ATOM 791 O GLU A 52 -5.054 21.635 12.461 1.00 1.73 O ATOM 792 CB GLU A 52 -1.917 22.629 12.268 1.00 1.73 C ATOM 793 CG GLU A 52 -0.409 22.417 12.424 1.00 2.39 C ATOM 794 CD GLU A 52 0.145 21.222 11.636 1.00 3.21 C ATOM 795 OE1 GLU A 52 0.207 20.093 12.184 1.00 4.58 O ATOM 796 OE2 GLU A 52 0.635 21.409 10.504 1.00 3.22 O ATOM 0 H GLU A 52 -2.884 21.067 10.543 1.00 1.59 H new ATOM 0 HA GLU A 52 -2.117 20.803 13.366 1.00 1.57 H new ATOM 0 HB2 GLU A 52 -2.143 22.938 11.248 1.00 1.73 H new ATOM 0 HB3 GLU A 52 -2.247 23.433 12.925 1.00 1.73 H new ATOM 0 HG2 GLU A 52 0.108 23.321 12.102 1.00 2.39 H new ATOM 0 HG3 GLU A 52 -0.181 22.278 13.481 1.00 2.39 H new ATOM 803 N VAL A 53 -4.105 21.870 14.485 1.00 1.61 N ATOM 804 CA VAL A 53 -5.333 22.187 15.235 1.00 1.82 C ATOM 805 C VAL A 53 -4.961 23.210 16.301 1.00 2.06 C ATOM 806 O VAL A 53 -4.045 22.951 17.073 1.00 3.44 O ATOM 807 CB VAL A 53 -5.956 20.929 15.897 1.00 2.02 C ATOM 808 CG1 VAL A 53 -7.234 21.289 16.677 1.00 2.60 C ATOM 809 CG2 VAL A 53 -6.312 19.824 14.882 1.00 2.22 C ATOM 0 H VAL A 53 -3.272 21.851 15.074 1.00 1.61 H new ATOM 0 HA VAL A 53 -6.084 22.580 14.550 1.00 1.82 H new ATOM 0 HB VAL A 53 -5.188 20.547 16.570 1.00 2.02 H new ATOM 0 HG11 VAL A 53 -7.649 20.389 17.130 1.00 2.60 H new ATOM 0 HG12 VAL A 53 -6.993 22.010 17.458 1.00 2.60 H new ATOM 0 HG13 VAL A 53 -7.966 21.723 15.996 1.00 2.60 H new ATOM 0 HG21 VAL A 53 -6.743 18.972 15.408 1.00 2.22 H new ATOM 0 HG22 VAL A 53 -7.034 20.210 14.163 1.00 2.22 H new ATOM 0 HG23 VAL A 53 -5.411 19.508 14.357 1.00 2.22 H new ATOM 819 N GLU A 54 -5.612 24.384 16.293 1.00 1.84 N ATOM 820 CA GLU A 54 -5.296 25.535 17.171 1.00 1.98 C ATOM 821 C GLU A 54 -3.937 26.189 16.805 1.00 1.87 C ATOM 822 O GLU A 54 -3.412 27.008 17.550 1.00 2.37 O ATOM 823 CB GLU A 54 -5.318 25.082 18.646 1.00 2.24 C ATOM 824 CG GLU A 54 -5.675 26.142 19.693 1.00 3.16 C ATOM 825 CD GLU A 54 -5.376 25.561 21.073 1.00 3.30 C ATOM 826 OE1 GLU A 54 -6.017 24.555 21.455 1.00 3.32 O ATOM 827 OE2 GLU A 54 -4.364 25.952 21.697 1.00 3.98 O ATOM 0 H GLU A 54 -6.392 24.569 15.663 1.00 1.84 H new ATOM 0 HA GLU A 54 -6.059 26.299 17.021 1.00 1.98 H new ATOM 0 HB2 GLU A 54 -6.030 24.262 18.738 1.00 2.24 H new ATOM 0 HB3 GLU A 54 -4.335 24.680 18.892 1.00 2.24 H new ATOM 0 HG2 GLU A 54 -5.096 27.051 19.528 1.00 3.16 H new ATOM 0 HG3 GLU A 54 -6.727 26.416 19.615 1.00 3.16 H new ATOM 834 N GLY A 55 -3.323 25.778 15.684 1.00 1.52 N ATOM 835 CA GLY A 55 -1.922 26.066 15.339 1.00 1.57 C ATOM 836 C GLY A 55 -0.926 25.033 15.880 1.00 1.51 C ATOM 837 O GLY A 55 0.257 25.090 15.555 1.00 1.79 O ATOM 0 H GLY A 55 -3.800 25.222 14.974 1.00 1.52 H new ATOM 0 HA2 GLY A 55 -1.827 26.115 14.254 1.00 1.57 H new ATOM 0 HA3 GLY A 55 -1.657 27.050 15.726 1.00 1.57 H new ATOM 841 N LYS A 56 -1.380 24.052 16.667 1.00 1.39 N ATOM 842 CA LYS A 56 -0.569 22.995 17.257 1.00 1.61 C ATOM 843 C LYS A 56 -0.523 21.780 16.325 1.00 1.60 C ATOM 844 O LYS A 56 -1.493 21.460 15.630 1.00 1.40 O ATOM 845 CB LYS A 56 -1.133 22.653 18.648 1.00 1.84 C ATOM 846 CG LYS A 56 -1.117 23.863 19.602 1.00 2.45 C ATOM 847 CD LYS A 56 -1.586 23.561 21.034 1.00 2.81 C ATOM 848 CE LYS A 56 -3.025 23.026 21.072 1.00 2.65 C ATOM 849 NZ LYS A 56 -3.735 23.428 22.308 1.00 3.00 N ATOM 0 H LYS A 56 -2.366 23.974 16.918 1.00 1.39 H new ATOM 0 HA LYS A 56 0.461 23.329 17.384 1.00 1.61 H new ATOM 0 HB2 LYS A 56 -2.155 22.290 18.543 1.00 1.84 H new ATOM 0 HB3 LYS A 56 -0.550 21.842 19.084 1.00 1.84 H new ATOM 0 HG2 LYS A 56 -0.103 24.262 19.643 1.00 2.45 H new ATOM 0 HG3 LYS A 56 -1.751 24.645 19.185 1.00 2.45 H new ATOM 0 HD2 LYS A 56 -0.916 22.830 21.487 1.00 2.81 H new ATOM 0 HD3 LYS A 56 -1.521 24.468 21.635 1.00 2.81 H new ATOM 0 HE2 LYS A 56 -3.572 23.395 20.204 1.00 2.65 H new ATOM 0 HE3 LYS A 56 -3.009 21.938 21.001 1.00 2.65 H new ATOM 0 HZ1 LYS A 56 -4.760 23.435 22.133 1.00 3.00 H new ATOM 0 HZ2 LYS A 56 -3.518 22.752 23.068 1.00 3.00 H new ATOM 0 HZ3 LYS A 56 -3.426 24.380 22.592 1.00 3.00 H new ATOM 863 N LYS A 57 0.639 21.131 16.283 1.00 1.90 N ATOM 864 CA LYS A 57 1.031 20.154 15.277 1.00 1.91 C ATOM 865 C LYS A 57 0.345 18.788 15.455 1.00 1.65 C ATOM 866 O LYS A 57 0.362 18.257 16.565 1.00 2.01 O ATOM 867 CB LYS A 57 2.567 20.107 15.376 1.00 2.63 C ATOM 868 CG LYS A 57 3.289 18.940 14.701 1.00 3.25 C ATOM 869 CD LYS A 57 3.076 18.764 13.190 1.00 3.71 C ATOM 870 CE LYS A 57 3.398 20.033 12.392 1.00 3.31 C ATOM 871 NZ LYS A 57 2.812 19.967 11.038 1.00 4.18 N ATOM 0 H LYS A 57 1.365 21.281 16.984 1.00 1.90 H new ATOM 0 HA LYS A 57 0.706 20.438 14.276 1.00 1.91 H new ATOM 0 HB2 LYS A 57 2.958 21.032 14.954 1.00 2.63 H new ATOM 0 HB3 LYS A 57 2.835 20.101 16.433 1.00 2.63 H new ATOM 0 HG2 LYS A 57 4.358 19.054 14.881 1.00 3.25 H new ATOM 0 HG3 LYS A 57 2.979 18.019 15.196 1.00 3.25 H new ATOM 0 HD2 LYS A 57 3.702 17.947 12.832 1.00 3.71 H new ATOM 0 HD3 LYS A 57 2.041 18.477 13.005 1.00 3.71 H new ATOM 0 HE2 LYS A 57 3.011 20.906 12.918 1.00 3.31 H new ATOM 0 HE3 LYS A 57 4.478 20.157 12.319 1.00 3.31 H new ATOM 0 HZ1 LYS A 57 2.340 20.868 10.820 1.00 4.18 H new ATOM 0 HZ2 LYS A 57 3.565 19.793 10.342 1.00 4.18 H new ATOM 0 HZ3 LYS A 57 2.118 19.194 10.998 1.00 4.18 H new ATOM 885 N VAL A 58 -0.201 18.203 14.379 1.00 1.28 N ATOM 886 CA VAL A 58 -0.751 16.830 14.396 1.00 1.09 C ATOM 887 C VAL A 58 -0.613 16.130 13.026 1.00 1.00 C ATOM 888 O VAL A 58 -0.222 16.741 12.028 1.00 1.25 O ATOM 889 CB VAL A 58 -2.228 16.766 14.898 1.00 1.12 C ATOM 890 CG1 VAL A 58 -2.419 15.560 15.839 1.00 1.84 C ATOM 891 CG2 VAL A 58 -2.789 18.004 15.633 1.00 1.54 C ATOM 0 H VAL A 58 -0.276 18.663 13.472 1.00 1.28 H new ATOM 0 HA VAL A 58 -0.143 16.286 15.119 1.00 1.09 H new ATOM 0 HB VAL A 58 -2.788 16.693 13.966 1.00 1.12 H new ATOM 0 HG11 VAL A 58 -3.453 15.526 16.182 1.00 1.84 H new ATOM 0 HG12 VAL A 58 -2.184 14.640 15.304 1.00 1.84 H new ATOM 0 HG13 VAL A 58 -1.755 15.660 16.698 1.00 1.84 H new ATOM 0 HG21 VAL A 58 -3.823 17.817 15.923 1.00 1.54 H new ATOM 0 HG22 VAL A 58 -2.192 18.200 16.524 1.00 1.54 H new ATOM 0 HG23 VAL A 58 -2.748 18.869 14.971 1.00 1.54 H new ATOM 901 N MET A 59 -0.936 14.830 12.986 1.00 1.09 N ATOM 902 CA MET A 59 -0.993 13.972 11.792 1.00 1.11 C ATOM 903 C MET A 59 -2.334 13.216 11.746 1.00 1.14 C ATOM 904 O MET A 59 -3.007 13.081 12.772 1.00 1.45 O ATOM 905 CB MET A 59 0.185 12.977 11.834 1.00 1.23 C ATOM 906 CG MET A 59 0.680 12.566 10.440 1.00 2.33 C ATOM 907 SD MET A 59 1.504 13.873 9.486 1.00 3.76 S ATOM 908 CE MET A 59 3.003 14.118 10.468 1.00 3.45 C ATOM 0 H MET A 59 -1.179 14.319 13.834 1.00 1.09 H new ATOM 0 HA MET A 59 -0.917 14.586 10.894 1.00 1.11 H new ATOM 0 HB2 MET A 59 1.010 13.424 12.388 1.00 1.23 H new ATOM 0 HB3 MET A 59 -0.120 12.085 12.381 1.00 1.23 H new ATOM 0 HG2 MET A 59 1.371 11.731 10.551 1.00 2.33 H new ATOM 0 HG3 MET A 59 -0.171 12.202 9.864 1.00 2.33 H new ATOM 0 HE1 MET A 59 3.710 14.729 9.907 1.00 3.45 H new ATOM 0 HE2 MET A 59 2.749 14.621 11.401 1.00 3.45 H new ATOM 0 HE3 MET A 59 3.455 13.151 10.689 1.00 3.45 H new ATOM 918 N GLY A 60 -2.748 12.734 10.573 1.00 1.01 N ATOM 919 CA GLY A 60 -3.922 11.876 10.357 1.00 1.06 C ATOM 920 C GLY A 60 -3.679 10.829 9.269 1.00 0.84 C ATOM 921 O GLY A 60 -2.622 10.818 8.650 1.00 1.10 O ATOM 0 H GLY A 60 -2.253 12.939 9.705 1.00 1.01 H new ATOM 0 HA2 GLY A 60 -4.181 11.375 11.290 1.00 1.06 H new ATOM 0 HA3 GLY A 60 -4.776 12.494 10.080 1.00 1.06 H new ATOM 925 N MET A 61 -4.666 9.965 9.023 1.00 0.83 N ATOM 926 CA MET A 61 -4.693 8.975 7.930 1.00 0.66 C ATOM 927 C MET A 61 -6.096 8.924 7.315 1.00 0.65 C ATOM 928 O MET A 61 -7.063 9.314 7.974 1.00 0.78 O ATOM 929 CB MET A 61 -4.273 7.586 8.444 1.00 0.71 C ATOM 930 CG MET A 61 -2.790 7.543 8.825 1.00 0.92 C ATOM 931 SD MET A 61 -2.247 5.963 9.514 1.00 2.16 S ATOM 932 CE MET A 61 -0.476 6.312 9.659 1.00 1.77 C ATOM 0 H MET A 61 -5.506 9.930 9.601 1.00 0.83 H new ATOM 0 HA MET A 61 -3.981 9.276 7.162 1.00 0.66 H new ATOM 0 HB2 MET A 61 -4.878 7.321 9.311 1.00 0.71 H new ATOM 0 HB3 MET A 61 -4.472 6.839 7.676 1.00 0.71 H new ATOM 0 HG2 MET A 61 -2.193 7.765 7.941 1.00 0.92 H new ATOM 0 HG3 MET A 61 -2.590 8.331 9.551 1.00 0.92 H new ATOM 0 HE1 MET A 61 0.034 5.441 10.072 1.00 1.77 H new ATOM 0 HE2 MET A 61 -0.068 6.538 8.674 1.00 1.77 H new ATOM 0 HE3 MET A 61 -0.326 7.167 10.319 1.00 1.77 H new ATOM 942 N ARG A 62 -6.211 8.519 6.047 1.00 0.59 N ATOM 943 CA ARG A 62 -7.456 8.646 5.270 1.00 0.55 C ATOM 944 C ARG A 62 -7.368 7.877 3.945 1.00 0.51 C ATOM 945 O ARG A 62 -6.307 7.967 3.330 1.00 0.50 O ATOM 946 CB ARG A 62 -7.689 10.138 4.937 1.00 0.64 C ATOM 947 CG ARG A 62 -9.172 10.533 4.960 1.00 1.76 C ATOM 948 CD ARG A 62 -9.437 11.889 4.290 1.00 1.89 C ATOM 949 NE ARG A 62 -9.158 11.810 2.843 1.00 2.62 N ATOM 950 CZ ARG A 62 -8.125 12.376 2.237 1.00 3.26 C ATOM 951 NH1 ARG A 62 -7.509 13.428 2.723 1.00 3.73 N ATOM 952 NH2 ARG A 62 -7.660 11.827 1.142 1.00 4.56 N ATOM 0 H ARG A 62 -5.445 8.093 5.526 1.00 0.59 H new ATOM 0 HA ARG A 62 -8.271 8.237 5.867 1.00 0.55 H new ATOM 0 HB2 ARG A 62 -7.144 10.754 5.652 1.00 0.64 H new ATOM 0 HB3 ARG A 62 -7.277 10.353 3.951 1.00 0.64 H new ATOM 0 HG2 ARG A 62 -9.756 9.763 4.456 1.00 1.76 H new ATOM 0 HG3 ARG A 62 -9.518 10.570 5.993 1.00 1.76 H new ATOM 0 HD2 ARG A 62 -10.473 12.185 4.452 1.00 1.89 H new ATOM 0 HD3 ARG A 62 -8.811 12.656 4.746 1.00 1.89 H new ATOM 0 HE ARG A 62 -9.810 11.279 2.266 1.00 2.62 H new ATOM 0 HH11 ARG A 62 -7.822 13.842 3.601 1.00 3.73 H new ATOM 0 HH12 ARG A 62 -6.717 13.832 2.223 1.00 3.73 H new ATOM 0 HH21 ARG A 62 -8.093 10.980 0.772 1.00 4.56 H new ATOM 0 HH22 ARG A 62 -6.865 12.246 0.659 1.00 4.56 H new ATOM 966 N PRO A 63 -8.434 7.240 3.424 1.00 0.52 N ATOM 967 CA PRO A 63 -8.448 6.774 2.040 1.00 0.52 C ATOM 968 C PRO A 63 -8.390 7.931 1.032 1.00 0.49 C ATOM 969 O PRO A 63 -8.852 9.046 1.300 1.00 0.49 O ATOM 970 CB PRO A 63 -9.682 5.884 1.878 1.00 0.57 C ATOM 971 CG PRO A 63 -10.590 6.339 3.008 1.00 0.66 C ATOM 972 CD PRO A 63 -9.657 6.849 4.105 1.00 0.56 C ATOM 0 HA PRO A 63 -7.551 6.194 1.821 1.00 0.52 H new ATOM 0 HB2 PRO A 63 -10.152 6.021 0.904 1.00 0.57 H new ATOM 0 HB3 PRO A 63 -9.430 4.827 1.965 1.00 0.57 H new ATOM 0 HG2 PRO A 63 -11.268 7.124 2.674 1.00 0.66 H new ATOM 0 HG3 PRO A 63 -11.208 5.517 3.370 1.00 0.66 H new ATOM 0 HD2 PRO A 63 -10.098 7.693 4.634 1.00 0.56 H new ATOM 0 HD3 PRO A 63 -9.463 6.074 4.847 1.00 0.56 H new ATOM 980 N VAL A 64 -7.808 7.633 -0.133 1.00 0.51 N ATOM 981 CA VAL A 64 -7.726 8.506 -1.320 1.00 0.50 C ATOM 982 C VAL A 64 -8.422 7.854 -2.522 1.00 0.55 C ATOM 983 O VAL A 64 -8.557 6.629 -2.542 1.00 0.62 O ATOM 984 CB VAL A 64 -6.263 8.820 -1.728 1.00 0.55 C ATOM 985 CG1 VAL A 64 -5.718 9.960 -0.875 1.00 0.58 C ATOM 986 CG2 VAL A 64 -5.305 7.627 -1.636 1.00 0.65 C ATOM 0 H VAL A 64 -7.357 6.731 -0.287 1.00 0.51 H new ATOM 0 HA VAL A 64 -8.222 9.436 -1.043 1.00 0.50 H new ATOM 0 HB VAL A 64 -6.310 9.098 -2.781 1.00 0.55 H new ATOM 0 HG11 VAL A 64 -4.690 10.174 -1.168 1.00 0.58 H new ATOM 0 HG12 VAL A 64 -6.330 10.850 -1.022 1.00 0.58 H new ATOM 0 HG13 VAL A 64 -5.743 9.672 0.176 1.00 0.58 H new ATOM 0 HG21 VAL A 64 -4.306 7.939 -1.940 1.00 0.65 H new ATOM 0 HG22 VAL A 64 -5.275 7.263 -0.609 1.00 0.65 H new ATOM 0 HG23 VAL A 64 -5.652 6.830 -2.294 1.00 0.65 H new ATOM 996 N PRO A 65 -8.828 8.635 -3.545 1.00 0.57 N ATOM 997 CA PRO A 65 -9.363 8.090 -4.788 1.00 0.62 C ATOM 998 C PRO A 65 -8.290 7.404 -5.648 1.00 0.56 C ATOM 999 O PRO A 65 -8.655 6.566 -6.467 1.00 0.57 O ATOM 1000 CB PRO A 65 -9.984 9.288 -5.512 1.00 0.68 C ATOM 1001 CG PRO A 65 -9.132 10.465 -5.041 1.00 0.63 C ATOM 1002 CD PRO A 65 -8.831 10.094 -3.591 1.00 0.58 C ATOM 0 HA PRO A 65 -10.093 7.305 -4.588 1.00 0.62 H new ATOM 0 HB2 PRO A 65 -9.942 9.169 -6.595 1.00 0.68 H new ATOM 0 HB3 PRO A 65 -11.033 9.419 -5.246 1.00 0.68 H new ATOM 0 HG2 PRO A 65 -8.221 10.569 -5.631 1.00 0.63 H new ATOM 0 HG3 PRO A 65 -9.669 11.410 -5.115 1.00 0.63 H new ATOM 0 HD2 PRO A 65 -7.868 10.497 -3.276 1.00 0.58 H new ATOM 0 HD3 PRO A 65 -9.584 10.505 -2.918 1.00 0.58 H new ATOM 1010 N PHE A 66 -6.997 7.733 -5.469 1.00 0.54 N ATOM 1011 CA PHE A 66 -5.857 7.174 -6.203 1.00 0.52 C ATOM 1012 C PHE A 66 -4.520 7.710 -5.664 1.00 0.54 C ATOM 1013 O PHE A 66 -4.477 8.665 -4.890 1.00 0.57 O ATOM 1014 CB PHE A 66 -5.984 7.413 -7.726 1.00 0.54 C ATOM 1015 CG PHE A 66 -6.085 8.856 -8.175 1.00 0.60 C ATOM 1016 CD1 PHE A 66 -4.921 9.616 -8.402 1.00 1.49 C ATOM 1017 CD2 PHE A 66 -7.346 9.424 -8.429 1.00 1.84 C ATOM 1018 CE1 PHE A 66 -5.017 10.935 -8.876 1.00 1.55 C ATOM 1019 CE2 PHE A 66 -7.445 10.748 -8.891 1.00 1.88 C ATOM 1020 CZ PHE A 66 -6.280 11.504 -9.117 1.00 0.83 C ATOM 0 H PHE A 66 -6.711 8.426 -4.778 1.00 0.54 H new ATOM 0 HA PHE A 66 -5.869 6.096 -6.040 1.00 0.52 H new ATOM 0 HB2 PHE A 66 -5.121 6.962 -8.216 1.00 0.54 H new ATOM 0 HB3 PHE A 66 -6.866 6.882 -8.083 1.00 0.54 H new ATOM 0 HD1 PHE A 66 -3.950 9.183 -8.211 1.00 1.49 H new ATOM 0 HD2 PHE A 66 -8.241 8.841 -8.269 1.00 1.84 H new ATOM 0 HE1 PHE A 66 -4.121 11.511 -9.055 1.00 1.55 H new ATOM 0 HE2 PHE A 66 -8.416 11.185 -9.073 1.00 1.88 H new ATOM 0 HZ PHE A 66 -6.356 12.520 -9.475 1.00 0.83 H new ATOM 1030 N LEU A 67 -3.433 7.115 -6.154 1.00 0.58 N ATOM 1031 CA LEU A 67 -2.074 7.651 -6.167 1.00 0.56 C ATOM 1032 C LEU A 67 -1.575 7.724 -7.619 1.00 0.55 C ATOM 1033 O LEU A 67 -2.198 7.166 -8.524 1.00 0.57 O ATOM 1034 CB LEU A 67 -1.161 6.735 -5.326 1.00 0.57 C ATOM 1035 CG LEU A 67 -0.629 7.377 -4.036 1.00 0.66 C ATOM 1036 CD1 LEU A 67 0.299 6.343 -3.383 1.00 0.99 C ATOM 1037 CD2 LEU A 67 0.184 8.658 -4.290 1.00 0.94 C ATOM 0 H LEU A 67 -3.482 6.189 -6.578 1.00 0.58 H new ATOM 0 HA LEU A 67 -2.059 8.653 -5.738 1.00 0.56 H new ATOM 0 HB2 LEU A 67 -1.714 5.832 -5.066 1.00 0.57 H new ATOM 0 HB3 LEU A 67 -0.314 6.426 -5.939 1.00 0.57 H new ATOM 0 HG LEU A 67 -1.477 7.656 -3.411 1.00 0.66 H new ATOM 0 HD11 LEU A 67 0.706 6.752 -2.458 1.00 0.99 H new ATOM 0 HD12 LEU A 67 -0.265 5.436 -3.162 1.00 0.99 H new ATOM 0 HD13 LEU A 67 1.116 6.106 -4.065 1.00 0.99 H new ATOM 0 HD21 LEU A 67 0.531 9.063 -3.340 1.00 0.94 H new ATOM 0 HD22 LEU A 67 1.042 8.425 -4.921 1.00 0.94 H new ATOM 0 HD23 LEU A 67 -0.445 9.395 -4.790 1.00 0.94 H new ATOM 1049 N GLU A 68 -0.418 8.334 -7.861 1.00 0.57 N ATOM 1050 CA GLU A 68 0.155 8.422 -9.208 1.00 0.68 C ATOM 1051 C GLU A 68 1.671 8.592 -9.165 1.00 0.72 C ATOM 1052 O GLU A 68 2.233 8.917 -8.122 1.00 0.73 O ATOM 1053 CB GLU A 68 -0.547 9.505 -10.047 1.00 0.81 C ATOM 1054 CG GLU A 68 -0.126 10.938 -9.704 1.00 0.97 C ATOM 1055 CD GLU A 68 -1.059 11.943 -10.387 1.00 1.35 C ATOM 1056 OE1 GLU A 68 -1.301 11.776 -11.605 1.00 1.69 O ATOM 1057 OE2 GLU A 68 -1.559 12.840 -9.675 1.00 2.54 O ATOM 0 H GLU A 68 0.148 8.779 -7.138 1.00 0.57 H new ATOM 0 HA GLU A 68 -0.029 7.474 -9.713 1.00 0.68 H new ATOM 0 HB2 GLU A 68 -0.342 9.321 -11.102 1.00 0.81 H new ATOM 0 HB3 GLU A 68 -1.624 9.413 -9.911 1.00 0.81 H new ATOM 0 HG2 GLU A 68 -0.151 11.083 -8.624 1.00 0.97 H new ATOM 0 HG3 GLU A 68 0.902 11.109 -10.025 1.00 0.97 H new ATOM 1064 N VAL A 69 2.326 8.304 -10.291 1.00 0.77 N ATOM 1065 CA VAL A 69 3.780 8.134 -10.380 1.00 0.76 C ATOM 1066 C VAL A 69 4.263 8.537 -11.781 1.00 0.74 C ATOM 1067 O VAL A 69 3.628 8.143 -12.762 1.00 0.79 O ATOM 1068 CB VAL A 69 4.193 6.659 -10.108 1.00 0.80 C ATOM 1069 CG1 VAL A 69 5.714 6.482 -9.969 1.00 0.80 C ATOM 1070 CG2 VAL A 69 3.556 6.040 -8.849 1.00 0.87 C ATOM 0 H VAL A 69 1.852 8.180 -11.186 1.00 0.77 H new ATOM 0 HA VAL A 69 4.240 8.771 -9.624 1.00 0.76 H new ATOM 0 HB VAL A 69 3.819 6.140 -10.990 1.00 0.80 H new ATOM 0 HG11 VAL A 69 5.942 5.433 -9.780 1.00 0.80 H new ATOM 0 HG12 VAL A 69 6.203 6.800 -10.890 1.00 0.80 H new ATOM 0 HG13 VAL A 69 6.076 7.087 -9.138 1.00 0.80 H new ATOM 0 HG21 VAL A 69 3.898 5.011 -8.736 1.00 0.87 H new ATOM 0 HG22 VAL A 69 3.848 6.618 -7.972 1.00 0.87 H new ATOM 0 HG23 VAL A 69 2.470 6.052 -8.947 1.00 0.87 H new ATOM 1080 N PRO A 70 5.373 9.286 -11.920 1.00 0.72 N ATOM 1081 CA PRO A 70 5.900 9.673 -13.223 1.00 0.74 C ATOM 1082 C PRO A 70 6.531 8.479 -13.970 1.00 0.74 C ATOM 1083 O PRO A 70 6.729 7.416 -13.378 1.00 0.80 O ATOM 1084 CB PRO A 70 6.929 10.769 -12.926 1.00 0.78 C ATOM 1085 CG PRO A 70 7.443 10.403 -11.536 1.00 0.77 C ATOM 1086 CD PRO A 70 6.198 9.842 -10.853 1.00 0.73 C ATOM 0 HA PRO A 70 5.111 10.029 -13.886 1.00 0.74 H new ATOM 0 HB2 PRO A 70 7.732 10.776 -13.663 1.00 0.78 H new ATOM 0 HB3 PRO A 70 6.476 11.760 -12.939 1.00 0.78 H new ATOM 0 HG2 PRO A 70 8.246 9.667 -11.582 1.00 0.77 H new ATOM 0 HG3 PRO A 70 7.837 11.272 -11.009 1.00 0.77 H new ATOM 0 HD2 PRO A 70 6.464 9.076 -10.125 1.00 0.73 H new ATOM 0 HD3 PRO A 70 5.663 10.623 -10.313 1.00 0.73 H new ATOM 1094 N PRO A 71 6.872 8.644 -15.262 1.00 0.77 N ATOM 1095 CA PRO A 71 7.726 7.712 -15.988 1.00 0.76 C ATOM 1096 C PRO A 71 9.113 7.609 -15.354 1.00 0.72 C ATOM 1097 O PRO A 71 9.633 8.589 -14.827 1.00 0.74 O ATOM 1098 CB PRO A 71 7.751 8.194 -17.431 1.00 0.84 C ATOM 1099 CG PRO A 71 7.246 9.634 -17.405 1.00 0.88 C ATOM 1100 CD PRO A 71 6.466 9.756 -16.104 1.00 0.83 C ATOM 0 HA PRO A 71 7.339 6.694 -15.947 1.00 0.76 H new ATOM 0 HB2 PRO A 71 8.759 8.142 -17.842 1.00 0.84 H new ATOM 0 HB3 PRO A 71 7.117 7.570 -18.061 1.00 0.84 H new ATOM 0 HG2 PRO A 71 8.073 10.343 -17.437 1.00 0.88 H new ATOM 0 HG3 PRO A 71 6.612 9.845 -18.266 1.00 0.88 H new ATOM 0 HD2 PRO A 71 6.677 10.707 -15.615 1.00 0.83 H new ATOM 0 HD3 PRO A 71 5.393 9.726 -16.293 1.00 0.83 H new ATOM 1108 N LYS A 72 9.670 6.388 -15.357 1.00 0.73 N ATOM 1109 CA LYS A 72 10.946 6.007 -14.712 1.00 0.74 C ATOM 1110 C LYS A 72 10.919 6.130 -13.174 1.00 0.80 C ATOM 1111 O LYS A 72 11.937 5.983 -12.497 1.00 0.88 O ATOM 1112 CB LYS A 72 12.117 6.785 -15.338 1.00 0.77 C ATOM 1113 CG LYS A 72 12.174 6.653 -16.866 1.00 0.94 C ATOM 1114 CD LYS A 72 12.747 5.302 -17.329 1.00 1.11 C ATOM 1115 CE LYS A 72 12.652 5.163 -18.854 1.00 1.32 C ATOM 1116 NZ LYS A 72 11.293 4.770 -19.279 1.00 1.36 N ATOM 0 H LYS A 72 9.227 5.600 -15.829 1.00 0.73 H new ATOM 0 HA LYS A 72 11.096 4.945 -14.906 1.00 0.74 H new ATOM 0 HB2 LYS A 72 12.030 7.839 -15.073 1.00 0.77 H new ATOM 0 HB3 LYS A 72 13.054 6.426 -14.912 1.00 0.77 H new ATOM 0 HG2 LYS A 72 11.171 6.775 -17.274 1.00 0.94 H new ATOM 0 HG3 LYS A 72 12.784 7.459 -17.273 1.00 0.94 H new ATOM 0 HD2 LYS A 72 13.788 5.217 -17.016 1.00 1.11 H new ATOM 0 HD3 LYS A 72 12.202 4.488 -16.851 1.00 1.11 H new ATOM 0 HE2 LYS A 72 12.922 6.109 -19.324 1.00 1.32 H new ATOM 0 HE3 LYS A 72 13.371 4.420 -19.198 1.00 1.32 H new ATOM 0 HZ1 LYS A 72 11.303 4.521 -20.289 1.00 1.36 H new ATOM 0 HZ2 LYS A 72 10.979 3.949 -18.723 1.00 1.36 H new ATOM 0 HZ3 LYS A 72 10.638 5.563 -19.125 1.00 1.36 H new ATOM 1130 N GLY A 73 9.745 6.422 -12.614 1.00 0.85 N ATOM 1131 CA GLY A 73 9.506 6.675 -11.200 1.00 0.97 C ATOM 1132 C GLY A 73 9.355 5.380 -10.431 1.00 0.85 C ATOM 1133 O GLY A 73 8.389 4.644 -10.610 1.00 0.96 O ATOM 0 H GLY A 73 8.891 6.491 -13.168 1.00 0.85 H new ATOM 0 HA2 GLY A 73 10.333 7.253 -10.786 1.00 0.97 H new ATOM 0 HA3 GLY A 73 8.606 7.278 -11.083 1.00 0.97 H new ATOM 1137 N ARG A 74 10.301 5.161 -9.531 1.00 1.06 N ATOM 1138 CA ARG A 74 10.255 4.139 -8.476 1.00 1.16 C ATOM 1139 C ARG A 74 9.791 4.764 -7.155 1.00 1.24 C ATOM 1140 O ARG A 74 10.265 5.840 -6.797 1.00 1.35 O ATOM 1141 CB ARG A 74 11.614 3.392 -8.407 1.00 1.45 C ATOM 1142 CG ARG A 74 12.516 3.595 -7.174 1.00 1.56 C ATOM 1143 CD ARG A 74 12.104 2.708 -5.984 1.00 1.46 C ATOM 1144 NE ARG A 74 12.978 2.890 -4.814 1.00 2.62 N ATOM 1145 CZ ARG A 74 14.210 2.441 -4.647 1.00 3.30 C ATOM 1146 NH1 ARG A 74 14.851 1.774 -5.589 1.00 3.22 N ATOM 1147 NH2 ARG A 74 14.788 2.686 -3.495 1.00 4.87 N ATOM 0 H ARG A 74 11.161 5.709 -9.508 1.00 1.06 H new ATOM 0 HA ARG A 74 9.513 3.375 -8.707 1.00 1.16 H new ATOM 0 HB2 ARG A 74 11.408 2.325 -8.492 1.00 1.45 H new ATOM 0 HB3 ARG A 74 12.191 3.676 -9.287 1.00 1.45 H new ATOM 0 HG2 ARG A 74 13.549 3.376 -7.445 1.00 1.56 H new ATOM 0 HG3 ARG A 74 12.481 4.642 -6.871 1.00 1.56 H new ATOM 0 HD2 ARG A 74 11.076 2.937 -5.704 1.00 1.46 H new ATOM 0 HD3 ARG A 74 12.126 1.662 -6.290 1.00 1.46 H new ATOM 0 HE ARG A 74 12.586 3.426 -4.040 1.00 2.62 H new ATOM 0 HH11 ARG A 74 14.396 1.589 -6.483 1.00 3.22 H new ATOM 0 HH12 ARG A 74 15.802 1.443 -5.423 1.00 3.22 H new ATOM 0 HH21 ARG A 74 14.287 3.204 -2.773 1.00 4.87 H new ATOM 0 HH22 ARG A 74 15.738 2.359 -3.321 1.00 4.87 H new ATOM 1161 N VAL A 75 8.910 4.099 -6.407 1.00 1.24 N ATOM 1162 CA VAL A 75 8.426 4.559 -5.090 1.00 1.31 C ATOM 1163 C VAL A 75 8.180 3.385 -4.140 1.00 1.30 C ATOM 1164 O VAL A 75 7.477 2.437 -4.479 1.00 1.28 O ATOM 1165 CB VAL A 75 7.142 5.427 -5.191 1.00 1.39 C ATOM 1166 CG1 VAL A 75 7.419 6.809 -5.809 1.00 1.53 C ATOM 1167 CG2 VAL A 75 5.988 4.768 -5.972 1.00 1.34 C ATOM 0 H VAL A 75 8.502 3.211 -6.697 1.00 1.24 H new ATOM 0 HA VAL A 75 9.221 5.185 -4.685 1.00 1.31 H new ATOM 0 HB VAL A 75 6.825 5.536 -4.154 1.00 1.39 H new ATOM 0 HG11 VAL A 75 6.491 7.378 -5.858 1.00 1.53 H new ATOM 0 HG12 VAL A 75 8.141 7.345 -5.193 1.00 1.53 H new ATOM 0 HG13 VAL A 75 7.822 6.684 -6.814 1.00 1.53 H new ATOM 0 HG21 VAL A 75 5.132 5.442 -5.994 1.00 1.34 H new ATOM 0 HG22 VAL A 75 6.311 4.559 -6.992 1.00 1.34 H new ATOM 0 HG23 VAL A 75 5.704 3.836 -5.484 1.00 1.34 H new ATOM 1177 N GLU A 76 8.727 3.450 -2.922 1.00 1.69 N ATOM 1178 CA GLU A 76 8.307 2.562 -1.836 1.00 1.53 C ATOM 1179 C GLU A 76 7.067 3.162 -1.162 1.00 1.39 C ATOM 1180 O GLU A 76 7.120 4.294 -0.672 1.00 1.50 O ATOM 1181 CB GLU A 76 9.417 2.315 -0.788 1.00 1.74 C ATOM 1182 CG GLU A 76 10.869 2.276 -1.309 1.00 2.21 C ATOM 1183 CD GLU A 76 11.471 3.659 -1.598 1.00 2.51 C ATOM 1184 OE1 GLU A 76 10.793 4.679 -1.325 1.00 2.72 O ATOM 1185 OE2 GLU A 76 12.590 3.700 -2.155 1.00 3.88 O ATOM 0 H GLU A 76 9.462 4.109 -2.664 1.00 1.69 H new ATOM 0 HA GLU A 76 8.079 1.589 -2.272 1.00 1.53 H new ATOM 0 HB2 GLU A 76 9.349 3.096 -0.030 1.00 1.74 H new ATOM 0 HB3 GLU A 76 9.209 1.368 -0.290 1.00 1.74 H new ATOM 0 HG2 GLU A 76 11.493 1.767 -0.575 1.00 2.21 H new ATOM 0 HG3 GLU A 76 10.900 1.681 -2.222 1.00 2.21 H new ATOM 1192 N LEU A 77 5.960 2.417 -1.072 1.00 1.19 N ATOM 1193 CA LEU A 77 4.892 2.789 -0.134 1.00 1.04 C ATOM 1194 C LEU A 77 5.461 2.737 1.293 1.00 1.05 C ATOM 1195 O LEU A 77 6.326 1.916 1.599 1.00 1.78 O ATOM 1196 CB LEU A 77 3.626 1.925 -0.300 1.00 0.85 C ATOM 1197 CG LEU A 77 2.668 2.391 -1.418 1.00 0.80 C ATOM 1198 CD1 LEU A 77 3.184 2.035 -2.822 1.00 0.88 C ATOM 1199 CD2 LEU A 77 1.281 1.764 -1.206 1.00 0.74 C ATOM 0 H LEU A 77 5.781 1.576 -1.620 1.00 1.19 H new ATOM 0 HA LEU A 77 4.561 3.804 -0.352 1.00 1.04 H new ATOM 0 HB2 LEU A 77 3.928 0.898 -0.504 1.00 0.85 H new ATOM 0 HB3 LEU A 77 3.083 1.916 0.645 1.00 0.85 H new ATOM 0 HG LEU A 77 2.606 3.478 -1.359 1.00 0.80 H new ATOM 0 HD11 LEU A 77 2.473 2.385 -3.570 1.00 0.88 H new ATOM 0 HD12 LEU A 77 4.149 2.513 -2.987 1.00 0.88 H new ATOM 0 HD13 LEU A 77 3.296 0.954 -2.905 1.00 0.88 H new ATOM 0 HD21 LEU A 77 0.607 2.095 -1.997 1.00 0.74 H new ATOM 0 HD22 LEU A 77 1.365 0.678 -1.232 1.00 0.74 H new ATOM 0 HD23 LEU A 77 0.885 2.074 -0.239 1.00 0.74 H new ATOM 1211 N LYS A 78 5.002 3.632 2.170 1.00 0.91 N ATOM 1212 CA LYS A 78 5.648 3.899 3.460 1.00 0.90 C ATOM 1213 C LYS A 78 4.652 4.484 4.489 1.00 0.83 C ATOM 1214 O LYS A 78 3.854 5.335 4.100 1.00 0.87 O ATOM 1215 CB LYS A 78 6.890 4.798 3.230 1.00 1.06 C ATOM 1216 CG LYS A 78 6.663 6.040 2.333 1.00 1.26 C ATOM 1217 CD LYS A 78 7.899 6.956 2.252 1.00 1.36 C ATOM 1218 CE LYS A 78 9.161 6.316 1.641 1.00 2.15 C ATOM 1219 NZ LYS A 78 9.034 6.057 0.186 1.00 3.51 N ATOM 0 H LYS A 78 4.168 4.196 2.006 1.00 0.91 H new ATOM 0 HA LYS A 78 5.990 2.961 3.898 1.00 0.90 H new ATOM 0 HB2 LYS A 78 7.256 5.135 4.200 1.00 1.06 H new ATOM 0 HB3 LYS A 78 7.678 4.190 2.785 1.00 1.06 H new ATOM 0 HG2 LYS A 78 6.394 5.712 1.329 1.00 1.26 H new ATOM 0 HG3 LYS A 78 5.819 6.611 2.719 1.00 1.26 H new ATOM 0 HD2 LYS A 78 7.639 7.837 1.665 1.00 1.36 H new ATOM 0 HD3 LYS A 78 8.139 7.303 3.257 1.00 1.36 H new ATOM 0 HE2 LYS A 78 10.014 6.972 1.814 1.00 2.15 H new ATOM 0 HE3 LYS A 78 9.371 5.378 2.154 1.00 2.15 H new ATOM 0 HZ1 LYS A 78 9.798 5.422 -0.122 1.00 3.51 H new ATOM 0 HZ2 LYS A 78 8.114 5.612 -0.008 1.00 3.51 H new ATOM 0 HZ3 LYS A 78 9.100 6.955 -0.334 1.00 3.51 H new ATOM 1233 N PRO A 79 4.685 4.067 5.776 1.00 0.85 N ATOM 1234 CA PRO A 79 3.685 4.449 6.781 1.00 0.93 C ATOM 1235 C PRO A 79 3.711 5.943 7.137 1.00 0.96 C ATOM 1236 O PRO A 79 2.669 6.496 7.473 1.00 1.14 O ATOM 1237 CB PRO A 79 3.960 3.560 7.999 1.00 0.96 C ATOM 1238 CG PRO A 79 5.438 3.205 7.864 1.00 0.95 C ATOM 1239 CD PRO A 79 5.629 3.116 6.351 1.00 0.89 C ATOM 0 HA PRO A 79 2.679 4.297 6.389 1.00 0.93 H new ATOM 0 HB2 PRO A 79 3.759 4.086 8.932 1.00 0.96 H new ATOM 0 HB3 PRO A 79 3.332 2.669 7.994 1.00 0.96 H new ATOM 0 HG2 PRO A 79 6.079 3.967 8.308 1.00 0.95 H new ATOM 0 HG3 PRO A 79 5.674 2.262 8.357 1.00 0.95 H new ATOM 0 HD2 PRO A 79 6.653 3.363 6.071 1.00 0.89 H new ATOM 0 HD3 PRO A 79 5.435 2.106 5.991 1.00 0.89 H new ATOM 1247 N GLY A 80 4.857 6.621 6.989 1.00 1.07 N ATOM 1248 CA GLY A 80 4.902 8.070 6.794 1.00 1.27 C ATOM 1249 C GLY A 80 4.819 8.349 5.297 1.00 1.17 C ATOM 1250 O GLY A 80 5.851 8.392 4.628 1.00 1.52 O ATOM 0 H GLY A 80 5.776 6.178 7.002 1.00 1.07 H new ATOM 0 HA2 GLY A 80 4.075 8.550 7.317 1.00 1.27 H new ATOM 0 HA3 GLY A 80 5.823 8.481 7.207 1.00 1.27 H new ATOM 1254 N GLY A 81 3.593 8.464 4.774 1.00 0.99 N ATOM 1255 CA GLY A 81 3.314 8.544 3.337 1.00 0.88 C ATOM 1256 C GLY A 81 1.951 7.980 2.951 1.00 0.68 C ATOM 1257 O GLY A 81 0.945 8.679 2.991 1.00 0.75 O ATOM 0 H GLY A 81 2.752 8.505 5.349 1.00 0.99 H new ATOM 0 HA2 GLY A 81 3.370 9.586 3.021 1.00 0.88 H new ATOM 0 HA3 GLY A 81 4.089 8.004 2.794 1.00 0.88 H new ATOM 1261 N TYR A 82 1.950 6.726 2.505 1.00 0.61 N ATOM 1262 CA TYR A 82 0.839 6.031 1.843 1.00 0.55 C ATOM 1263 C TYR A 82 0.908 4.531 2.118 1.00 0.55 C ATOM 1264 O TYR A 82 1.997 3.953 2.200 1.00 0.63 O ATOM 1265 CB TYR A 82 0.875 6.267 0.328 1.00 0.63 C ATOM 1266 CG TYR A 82 0.941 7.725 -0.069 1.00 0.65 C ATOM 1267 CD1 TYR A 82 -0.235 8.486 -0.197 1.00 2.25 C ATOM 1268 CD2 TYR A 82 2.197 8.319 -0.287 1.00 1.72 C ATOM 1269 CE1 TYR A 82 -0.156 9.852 -0.528 1.00 2.26 C ATOM 1270 CE2 TYR A 82 2.289 9.681 -0.605 1.00 1.77 C ATOM 1271 CZ TYR A 82 1.109 10.454 -0.737 1.00 0.76 C ATOM 1272 OH TYR A 82 1.195 11.772 -1.068 1.00 0.85 O ATOM 0 H TYR A 82 2.772 6.129 2.600 1.00 0.61 H new ATOM 0 HA TYR A 82 -0.092 6.432 2.245 1.00 0.55 H new ATOM 0 HB2 TYR A 82 1.738 5.749 -0.089 1.00 0.63 H new ATOM 0 HB3 TYR A 82 -0.012 5.820 -0.120 1.00 0.63 H new ATOM 0 HD1 TYR A 82 -1.198 8.023 -0.041 1.00 2.25 H new ATOM 0 HD2 TYR A 82 3.094 7.723 -0.209 1.00 1.72 H new ATOM 0 HE1 TYR A 82 -1.057 10.439 -0.622 1.00 2.26 H new ATOM 0 HE2 TYR A 82 3.256 10.140 -0.749 1.00 1.77 H new ATOM 0 HH TYR A 82 2.137 12.022 -1.173 1.00 0.85 H new ATOM 1282 N HIS A 83 -0.242 3.876 2.221 1.00 0.52 N ATOM 1283 CA HIS A 83 -0.322 2.458 2.574 1.00 0.54 C ATOM 1284 C HIS A 83 -1.598 1.822 2.017 1.00 0.55 C ATOM 1285 O HIS A 83 -2.574 2.518 1.736 1.00 0.59 O ATOM 1286 CB HIS A 83 -0.207 2.286 4.104 1.00 0.64 C ATOM 1287 CG HIS A 83 -1.249 3.008 4.931 1.00 0.72 C ATOM 1288 ND1 HIS A 83 -1.135 4.293 5.430 1.00 0.82 N ATOM 1289 CD2 HIS A 83 -2.433 2.495 5.409 1.00 0.78 C ATOM 1290 CE1 HIS A 83 -2.220 4.549 6.176 1.00 0.91 C ATOM 1291 NE2 HIS A 83 -3.027 3.482 6.197 1.00 0.89 N ATOM 0 H HIS A 83 -1.150 4.312 2.062 1.00 0.52 H new ATOM 0 HA HIS A 83 0.516 1.932 2.115 1.00 0.54 H new ATOM 0 HB2 HIS A 83 -0.261 1.222 4.336 1.00 0.64 H new ATOM 0 HB3 HIS A 83 0.779 2.631 4.416 1.00 0.64 H new ATOM 0 HD2 HIS A 83 -2.830 1.510 5.211 1.00 0.78 H new ATOM 0 HE1 HIS A 83 -2.414 5.481 6.686 1.00 0.91 H new ATOM 0 HE2 HIS A 83 -3.913 3.404 6.697 1.00 0.89 H new ATOM 1299 N PHE A 84 -1.589 0.495 1.894 1.00 0.62 N ATOM 1300 CA PHE A 84 -2.804 -0.280 1.704 1.00 0.65 C ATOM 1301 C PHE A 84 -3.277 -0.767 3.064 1.00 0.68 C ATOM 1302 O PHE A 84 -2.573 -1.517 3.741 1.00 0.81 O ATOM 1303 CB PHE A 84 -2.535 -1.460 0.773 1.00 0.74 C ATOM 1304 CG PHE A 84 -2.404 -1.073 -0.685 1.00 0.69 C ATOM 1305 CD1 PHE A 84 -3.502 -0.490 -1.348 1.00 1.71 C ATOM 1306 CD2 PHE A 84 -1.206 -1.306 -1.385 1.00 1.88 C ATOM 1307 CE1 PHE A 84 -3.425 -0.218 -2.721 1.00 1.77 C ATOM 1308 CE2 PHE A 84 -1.113 -0.974 -2.750 1.00 1.82 C ATOM 1309 CZ PHE A 84 -2.228 -0.444 -3.419 1.00 0.69 C ATOM 0 H PHE A 84 -0.739 -0.067 1.924 1.00 0.62 H new ATOM 0 HA PHE A 84 -3.577 0.337 1.246 1.00 0.65 H new ATOM 0 HB2 PHE A 84 -1.619 -1.959 1.090 1.00 0.74 H new ATOM 0 HB3 PHE A 84 -3.344 -2.183 0.876 1.00 0.74 H new ATOM 0 HD1 PHE A 84 -4.402 -0.253 -0.799 1.00 1.71 H new ATOM 0 HD2 PHE A 84 -0.358 -1.739 -0.875 1.00 1.88 H new ATOM 0 HE1 PHE A 84 -4.289 0.166 -3.243 1.00 1.77 H new ATOM 0 HE2 PHE A 84 -0.185 -1.127 -3.282 1.00 1.82 H new ATOM 0 HZ PHE A 84 -2.165 -0.210 -4.471 1.00 0.69 H new ATOM 1319 N MET A 85 -4.474 -0.343 3.447 1.00 0.60 N ATOM 1320 CA MET A 85 -5.153 -0.800 4.650 1.00 0.59 C ATOM 1321 C MET A 85 -5.985 -2.040 4.296 1.00 0.48 C ATOM 1322 O MET A 85 -6.794 -1.986 3.366 1.00 0.52 O ATOM 1323 CB MET A 85 -5.991 0.364 5.206 1.00 0.74 C ATOM 1324 CG MET A 85 -6.343 0.154 6.680 1.00 1.08 C ATOM 1325 SD MET A 85 -5.289 0.973 7.905 1.00 1.00 S ATOM 1326 CE MET A 85 -3.786 -0.024 7.816 1.00 0.65 C ATOM 0 H MET A 85 -5.011 0.344 2.917 1.00 0.60 H new ATOM 0 HA MET A 85 -4.455 -1.096 5.433 1.00 0.59 H new ATOM 0 HB2 MET A 85 -5.438 1.297 5.093 1.00 0.74 H new ATOM 0 HB3 MET A 85 -6.907 0.464 4.624 1.00 0.74 H new ATOM 0 HG2 MET A 85 -7.367 0.493 6.835 1.00 1.08 H new ATOM 0 HG3 MET A 85 -6.327 -0.917 6.882 1.00 1.08 H new ATOM 0 HE1 MET A 85 -3.135 0.224 8.654 1.00 0.65 H new ATOM 0 HE2 MET A 85 -4.048 -1.081 7.860 1.00 0.65 H new ATOM 0 HE3 MET A 85 -3.267 0.183 6.880 1.00 0.65 H new ATOM 1336 N LEU A 86 -5.745 -3.162 4.987 1.00 0.48 N ATOM 1337 CA LEU A 86 -6.354 -4.472 4.717 1.00 0.48 C ATOM 1338 C LEU A 86 -7.419 -4.759 5.781 1.00 0.49 C ATOM 1339 O LEU A 86 -7.110 -4.769 6.975 1.00 0.64 O ATOM 1340 CB LEU A 86 -5.285 -5.590 4.733 1.00 0.55 C ATOM 1341 CG LEU A 86 -4.357 -5.746 3.509 1.00 0.80 C ATOM 1342 CD1 LEU A 86 -5.139 -6.192 2.273 1.00 2.36 C ATOM 1343 CD2 LEU A 86 -3.557 -4.486 3.173 1.00 1.47 C ATOM 0 H LEU A 86 -5.100 -3.184 5.776 1.00 0.48 H new ATOM 0 HA LEU A 86 -6.811 -4.451 3.728 1.00 0.48 H new ATOM 0 HB2 LEU A 86 -4.654 -5.432 5.608 1.00 0.55 H new ATOM 0 HB3 LEU A 86 -5.801 -6.539 4.880 1.00 0.55 H new ATOM 0 HG LEU A 86 -3.640 -6.516 3.795 1.00 0.80 H new ATOM 0 HD11 LEU A 86 -4.458 -6.293 1.428 1.00 2.36 H new ATOM 0 HD12 LEU A 86 -5.616 -7.152 2.471 1.00 2.36 H new ATOM 0 HD13 LEU A 86 -5.902 -5.450 2.037 1.00 2.36 H new ATOM 0 HD21 LEU A 86 -2.929 -4.675 2.302 1.00 1.47 H new ATOM 0 HD22 LEU A 86 -4.243 -3.667 2.955 1.00 1.47 H new ATOM 0 HD23 LEU A 86 -2.928 -4.217 4.022 1.00 1.47 H new ATOM 1355 N LEU A 87 -8.660 -4.994 5.349 1.00 0.56 N ATOM 1356 CA LEU A 87 -9.836 -5.092 6.221 1.00 0.61 C ATOM 1357 C LEU A 87 -10.517 -6.458 6.080 1.00 0.65 C ATOM 1358 O LEU A 87 -10.443 -7.098 5.028 1.00 1.07 O ATOM 1359 CB LEU A 87 -10.791 -3.920 5.880 1.00 0.75 C ATOM 1360 CG LEU A 87 -11.073 -2.990 7.076 1.00 0.88 C ATOM 1361 CD1 LEU A 87 -11.423 -1.573 6.602 1.00 1.62 C ATOM 1362 CD2 LEU A 87 -12.231 -3.524 7.933 1.00 2.77 C ATOM 0 H LEU A 87 -8.882 -5.125 4.362 1.00 0.56 H new ATOM 0 HA LEU A 87 -9.537 -5.013 7.266 1.00 0.61 H new ATOM 0 HB2 LEU A 87 -10.360 -3.334 5.068 1.00 0.75 H new ATOM 0 HB3 LEU A 87 -11.735 -4.325 5.514 1.00 0.75 H new ATOM 0 HG LEU A 87 -10.164 -2.958 7.676 1.00 0.88 H new ATOM 0 HD11 LEU A 87 -11.617 -0.938 7.466 1.00 1.62 H new ATOM 0 HD12 LEU A 87 -10.589 -1.164 6.031 1.00 1.62 H new ATOM 0 HD13 LEU A 87 -12.311 -1.609 5.971 1.00 1.62 H new ATOM 0 HD21 LEU A 87 -12.407 -2.847 8.769 1.00 2.77 H new ATOM 0 HD22 LEU A 87 -13.133 -3.591 7.325 1.00 2.77 H new ATOM 0 HD23 LEU A 87 -11.976 -4.513 8.314 1.00 2.77 H new ATOM 1374 N GLY A 88 -11.185 -6.907 7.149 1.00 0.76 N ATOM 1375 CA GLY A 88 -12.048 -8.100 7.138 1.00 1.08 C ATOM 1376 C GLY A 88 -11.320 -9.367 6.684 1.00 1.23 C ATOM 1377 O GLY A 88 -11.847 -10.120 5.861 1.00 2.01 O ATOM 0 H GLY A 88 -11.143 -6.448 8.059 1.00 0.76 H new ATOM 0 HA2 GLY A 88 -12.450 -8.259 8.139 1.00 1.08 H new ATOM 0 HA3 GLY A 88 -12.897 -7.920 6.478 1.00 1.08 H new ATOM 1381 N LEU A 89 -10.089 -9.553 7.171 1.00 0.96 N ATOM 1382 CA LEU A 89 -9.139 -10.580 6.747 1.00 0.98 C ATOM 1383 C LEU A 89 -9.729 -11.991 6.804 1.00 1.17 C ATOM 1384 O LEU A 89 -10.426 -12.376 7.742 1.00 1.51 O ATOM 1385 CB LEU A 89 -7.872 -10.514 7.621 1.00 0.94 C ATOM 1386 CG LEU A 89 -6.980 -9.270 7.440 1.00 0.91 C ATOM 1387 CD1 LEU A 89 -5.893 -9.295 8.521 1.00 0.99 C ATOM 1388 CD2 LEU A 89 -6.306 -9.228 6.063 1.00 1.28 C ATOM 0 H LEU A 89 -9.711 -8.959 7.910 1.00 0.96 H new ATOM 0 HA LEU A 89 -8.891 -10.374 5.706 1.00 0.98 H new ATOM 0 HB2 LEU A 89 -8.175 -10.568 8.667 1.00 0.94 H new ATOM 0 HB3 LEU A 89 -7.270 -11.399 7.417 1.00 0.94 H new ATOM 0 HG LEU A 89 -7.613 -8.386 7.524 1.00 0.91 H new ATOM 0 HD11 LEU A 89 -5.250 -8.422 8.411 1.00 0.99 H new ATOM 0 HD12 LEU A 89 -6.359 -9.280 9.506 1.00 0.99 H new ATOM 0 HD13 LEU A 89 -5.296 -10.201 8.416 1.00 0.99 H new ATOM 0 HD21 LEU A 89 -5.689 -8.332 5.987 1.00 1.28 H new ATOM 0 HD22 LEU A 89 -5.680 -10.111 5.937 1.00 1.28 H new ATOM 0 HD23 LEU A 89 -7.069 -9.210 5.285 1.00 1.28 H new ATOM 1400 N LYS A 90 -9.384 -12.813 5.814 1.00 1.09 N ATOM 1401 CA LYS A 90 -9.788 -14.225 5.761 1.00 1.24 C ATOM 1402 C LYS A 90 -9.072 -15.093 6.822 1.00 1.76 C ATOM 1403 O LYS A 90 -9.442 -16.247 7.019 1.00 2.03 O ATOM 1404 CB LYS A 90 -9.569 -14.766 4.336 1.00 1.24 C ATOM 1405 CG LYS A 90 -10.180 -13.952 3.177 1.00 0.93 C ATOM 1406 CD LYS A 90 -11.692 -13.685 3.223 1.00 2.23 C ATOM 1407 CE LYS A 90 -12.005 -12.493 4.137 1.00 3.31 C ATOM 1408 NZ LYS A 90 -13.044 -11.601 3.594 1.00 3.55 N ATOM 0 H LYS A 90 -8.814 -12.521 5.020 1.00 1.09 H new ATOM 0 HA LYS A 90 -10.849 -14.283 6.006 1.00 1.24 H new ATOM 0 HB2 LYS A 90 -8.495 -14.846 4.165 1.00 1.24 H new ATOM 0 HB3 LYS A 90 -9.975 -15.777 4.291 1.00 1.24 H new ATOM 0 HG2 LYS A 90 -9.669 -12.990 3.134 1.00 0.93 H new ATOM 0 HG3 LYS A 90 -9.958 -14.473 2.245 1.00 0.93 H new ATOM 0 HD2 LYS A 90 -12.062 -13.485 2.217 1.00 2.23 H new ATOM 0 HD3 LYS A 90 -12.212 -14.572 3.583 1.00 2.23 H new ATOM 0 HE2 LYS A 90 -12.327 -12.864 5.110 1.00 3.31 H new ATOM 0 HE3 LYS A 90 -11.093 -11.920 4.300 1.00 3.31 H new ATOM 0 HZ1 LYS A 90 -13.258 -10.855 4.287 1.00 3.55 H new ATOM 0 HZ2 LYS A 90 -12.703 -11.167 2.712 1.00 3.55 H new ATOM 0 HZ3 LYS A 90 -13.906 -12.150 3.399 1.00 3.55 H new ATOM 1422 N ARG A 91 -8.062 -14.538 7.506 1.00 2.00 N ATOM 1423 CA ARG A 91 -7.335 -15.129 8.634 1.00 2.45 C ATOM 1424 C ARG A 91 -6.465 -14.075 9.354 1.00 2.16 C ATOM 1425 O ARG A 91 -5.974 -13.165 8.688 1.00 1.73 O ATOM 1426 CB ARG A 91 -6.462 -16.315 8.172 1.00 2.87 C ATOM 1427 CG ARG A 91 -5.558 -15.986 6.964 1.00 2.63 C ATOM 1428 CD ARG A 91 -4.371 -16.945 6.835 1.00 2.97 C ATOM 1429 NE ARG A 91 -3.406 -16.727 7.927 1.00 4.61 N ATOM 1430 CZ ARG A 91 -2.095 -16.918 7.910 1.00 5.39 C ATOM 1431 NH1 ARG A 91 -1.437 -17.416 6.887 1.00 4.97 N ATOM 1432 NH2 ARG A 91 -1.396 -16.582 8.962 1.00 7.24 N ATOM 0 H ARG A 91 -7.711 -13.609 7.271 1.00 2.00 H new ATOM 0 HA ARG A 91 -8.077 -15.501 9.340 1.00 2.45 H new ATOM 0 HB2 ARG A 91 -5.838 -16.641 9.004 1.00 2.87 H new ATOM 0 HB3 ARG A 91 -7.110 -17.152 7.913 1.00 2.87 H new ATOM 0 HG2 ARG A 91 -6.151 -16.024 6.050 1.00 2.63 H new ATOM 0 HG3 ARG A 91 -5.187 -14.966 7.061 1.00 2.63 H new ATOM 0 HD2 ARG A 91 -4.725 -17.976 6.856 1.00 2.97 H new ATOM 0 HD3 ARG A 91 -3.880 -16.797 5.873 1.00 2.97 H new ATOM 0 HE ARG A 91 -3.796 -16.386 8.806 1.00 4.61 H new ATOM 0 HH11 ARG A 91 -1.938 -17.682 6.039 1.00 4.97 H new ATOM 0 HH12 ARG A 91 -0.426 -17.537 6.941 1.00 4.97 H new ATOM 0 HH21 ARG A 91 -1.861 -16.181 9.776 1.00 7.24 H new ATOM 0 HH22 ARG A 91 -0.386 -16.721 8.969 1.00 7.24 H new ATOM 1446 N PRO A 92 -6.194 -14.237 10.665 1.00 2.45 N ATOM 1447 CA PRO A 92 -5.116 -13.526 11.344 1.00 2.30 C ATOM 1448 C PRO A 92 -3.758 -13.984 10.801 1.00 2.18 C ATOM 1449 O PRO A 92 -3.600 -15.136 10.380 1.00 2.33 O ATOM 1450 CB PRO A 92 -5.282 -13.860 12.830 1.00 2.73 C ATOM 1451 CG PRO A 92 -5.934 -15.240 12.815 1.00 3.11 C ATOM 1452 CD PRO A 92 -6.822 -15.191 11.574 1.00 3.01 C ATOM 0 HA PRO A 92 -5.158 -12.449 11.183 1.00 2.30 H new ATOM 0 HB2 PRO A 92 -4.323 -13.875 13.347 1.00 2.73 H new ATOM 0 HB3 PRO A 92 -5.907 -13.126 13.339 1.00 2.73 H new ATOM 0 HG2 PRO A 92 -5.192 -16.036 12.748 1.00 3.11 H new ATOM 0 HG3 PRO A 92 -6.515 -15.421 13.719 1.00 3.11 H new ATOM 0 HD2 PRO A 92 -6.901 -16.175 11.112 1.00 3.01 H new ATOM 0 HD3 PRO A 92 -7.834 -14.877 11.831 1.00 3.01 H new ATOM 1460 N LEU A 93 -2.772 -13.079 10.805 1.00 2.07 N ATOM 1461 CA LEU A 93 -1.414 -13.377 10.350 1.00 2.15 C ATOM 1462 C LEU A 93 -0.599 -14.110 11.428 1.00 2.48 C ATOM 1463 O LEU A 93 -0.860 -13.993 12.623 1.00 2.96 O ATOM 1464 CB LEU A 93 -0.687 -12.103 9.879 1.00 1.94 C ATOM 1465 CG LEU A 93 -1.211 -11.377 8.615 1.00 1.87 C ATOM 1466 CD1 LEU A 93 -1.611 -12.344 7.490 1.00 1.83 C ATOM 1467 CD2 LEU A 93 -2.359 -10.408 8.924 1.00 2.66 C ATOM 0 H LEU A 93 -2.896 -12.118 11.125 1.00 2.07 H new ATOM 0 HA LEU A 93 -1.503 -14.047 9.495 1.00 2.15 H new ATOM 0 HB2 LEU A 93 -0.703 -11.389 10.702 1.00 1.94 H new ATOM 0 HB3 LEU A 93 0.357 -12.363 9.703 1.00 1.94 H new ATOM 0 HG LEU A 93 -0.366 -10.790 8.256 1.00 1.87 H new ATOM 0 HD11 LEU A 93 -1.970 -11.775 6.632 1.00 1.83 H new ATOM 0 HD12 LEU A 93 -0.746 -12.938 7.196 1.00 1.83 H new ATOM 0 HD13 LEU A 93 -2.402 -13.006 7.843 1.00 1.83 H new ATOM 0 HD21 LEU A 93 -2.687 -9.927 8.003 1.00 2.66 H new ATOM 0 HD22 LEU A 93 -3.191 -10.958 9.363 1.00 2.66 H new ATOM 0 HD23 LEU A 93 -2.015 -9.649 9.627 1.00 2.66 H new ATOM 1479 N LYS A 94 0.415 -14.857 10.988 1.00 2.37 N ATOM 1480 CA LYS A 94 1.365 -15.609 11.812 1.00 2.60 C ATOM 1481 C LYS A 94 2.823 -15.164 11.573 1.00 2.70 C ATOM 1482 O LYS A 94 3.649 -15.311 12.467 1.00 4.52 O ATOM 1483 CB LYS A 94 1.102 -17.100 11.507 1.00 2.74 C ATOM 1484 CG LYS A 94 1.900 -18.122 12.333 1.00 3.09 C ATOM 1485 CD LYS A 94 3.256 -18.554 11.752 1.00 2.93 C ATOM 1486 CE LYS A 94 3.187 -19.449 10.496 1.00 3.09 C ATOM 1487 NZ LYS A 94 3.231 -18.691 9.219 1.00 3.38 N ATOM 0 H LYS A 94 0.607 -14.960 9.991 1.00 2.37 H new ATOM 0 HA LYS A 94 1.218 -15.419 12.875 1.00 2.60 H new ATOM 0 HB2 LYS A 94 0.040 -17.296 11.656 1.00 2.74 H new ATOM 0 HB3 LYS A 94 1.314 -17.275 10.452 1.00 2.74 H new ATOM 0 HG2 LYS A 94 2.070 -17.703 13.325 1.00 3.09 H new ATOM 0 HG3 LYS A 94 1.284 -19.012 12.464 1.00 3.09 H new ATOM 0 HD2 LYS A 94 3.829 -17.659 11.508 1.00 2.93 H new ATOM 0 HD3 LYS A 94 3.810 -19.086 12.526 1.00 2.93 H new ATOM 0 HE2 LYS A 94 4.017 -20.155 10.518 1.00 3.09 H new ATOM 0 HE3 LYS A 94 2.269 -20.035 10.529 1.00 3.09 H new ATOM 0 HZ1 LYS A 94 3.723 -19.255 8.497 1.00 3.38 H new ATOM 0 HZ2 LYS A 94 2.261 -18.491 8.900 1.00 3.38 H new ATOM 0 HZ3 LYS A 94 3.739 -17.795 9.364 1.00 3.38 H new ATOM 1501 N ALA A 95 3.102 -14.617 10.383 1.00 1.67 N ATOM 1502 CA ALA A 95 4.410 -14.189 9.846 1.00 1.63 C ATOM 1503 C ALA A 95 5.209 -15.379 9.294 1.00 1.59 C ATOM 1504 O ALA A 95 4.892 -16.531 9.590 1.00 1.91 O ATOM 1505 CB ALA A 95 5.228 -13.373 10.863 1.00 1.73 C ATOM 0 H ALA A 95 2.356 -14.446 9.709 1.00 1.67 H new ATOM 0 HA ALA A 95 4.202 -13.519 9.012 1.00 1.63 H new ATOM 0 HB1 ALA A 95 6.180 -13.084 10.417 1.00 1.73 H new ATOM 0 HB2 ALA A 95 4.672 -12.478 11.143 1.00 1.73 H new ATOM 0 HB3 ALA A 95 5.412 -13.978 11.751 1.00 1.73 H new ATOM 1511 N GLY A 96 6.217 -15.125 8.454 1.00 1.44 N ATOM 1512 CA GLY A 96 6.970 -16.196 7.788 1.00 1.61 C ATOM 1513 C GLY A 96 6.046 -17.023 6.895 1.00 1.76 C ATOM 1514 O GLY A 96 5.848 -18.214 7.126 1.00 2.68 O ATOM 0 H GLY A 96 6.532 -14.184 8.218 1.00 1.44 H new ATOM 0 HA2 GLY A 96 7.774 -15.766 7.191 1.00 1.61 H new ATOM 0 HA3 GLY A 96 7.436 -16.839 8.534 1.00 1.61 H new ATOM 1518 N GLU A 97 5.397 -16.350 5.949 1.00 1.20 N ATOM 1519 CA GLU A 97 4.388 -16.824 5.025 1.00 1.39 C ATOM 1520 C GLU A 97 4.207 -15.747 3.956 1.00 1.37 C ATOM 1521 O GLU A 97 4.587 -14.595 4.173 1.00 1.37 O ATOM 1522 CB GLU A 97 3.085 -17.083 5.781 1.00 1.82 C ATOM 1523 CG GLU A 97 2.561 -15.887 6.584 1.00 2.03 C ATOM 1524 CD GLU A 97 1.568 -16.253 7.676 1.00 2.66 C ATOM 1525 OE1 GLU A 97 1.197 -17.435 7.852 1.00 2.77 O ATOM 1526 OE2 GLU A 97 1.190 -15.349 8.441 1.00 3.94 O ATOM 0 H GLU A 97 5.589 -15.359 5.801 1.00 1.20 H new ATOM 0 HA GLU A 97 4.686 -17.761 4.554 1.00 1.39 H new ATOM 0 HB2 GLU A 97 2.320 -17.386 5.066 1.00 1.82 H new ATOM 0 HB3 GLU A 97 3.236 -17.921 6.461 1.00 1.82 H new ATOM 0 HG2 GLU A 97 3.407 -15.370 7.037 1.00 2.03 H new ATOM 0 HG3 GLU A 97 2.087 -15.184 5.899 1.00 2.03 H new ATOM 1533 N GLU A 98 3.623 -16.133 2.831 1.00 1.55 N ATOM 1534 CA GLU A 98 3.536 -15.319 1.612 1.00 1.53 C ATOM 1535 C GLU A 98 2.092 -14.899 1.302 1.00 1.47 C ATOM 1536 O GLU A 98 1.140 -15.495 1.806 1.00 1.77 O ATOM 1537 CB GLU A 98 4.131 -16.104 0.430 1.00 1.83 C ATOM 1538 CG GLU A 98 5.648 -16.283 0.575 1.00 2.11 C ATOM 1539 CD GLU A 98 6.168 -17.266 -0.465 1.00 2.83 C ATOM 1540 OE1 GLU A 98 6.363 -16.825 -1.618 1.00 3.37 O ATOM 1541 OE2 GLU A 98 6.324 -18.448 -0.079 1.00 3.79 O ATOM 0 H GLU A 98 3.181 -17.047 2.731 1.00 1.55 H new ATOM 0 HA GLU A 98 4.107 -14.405 1.774 1.00 1.53 H new ATOM 0 HB2 GLU A 98 3.654 -17.082 0.365 1.00 1.83 H new ATOM 0 HB3 GLU A 98 3.913 -15.581 -0.501 1.00 1.83 H new ATOM 0 HG2 GLU A 98 6.147 -15.321 0.457 1.00 2.11 H new ATOM 0 HG3 GLU A 98 5.884 -16.644 1.576 1.00 2.11 H new ATOM 1548 N VAL A 99 1.944 -13.866 0.466 1.00 1.36 N ATOM 1549 CA VAL A 99 0.675 -13.261 0.031 1.00 1.29 C ATOM 1550 C VAL A 99 0.789 -12.802 -1.427 1.00 1.21 C ATOM 1551 O VAL A 99 1.682 -12.025 -1.759 1.00 1.25 O ATOM 1552 CB VAL A 99 0.306 -12.042 0.918 1.00 1.31 C ATOM 1553 CG1 VAL A 99 -0.958 -11.317 0.417 1.00 1.34 C ATOM 1554 CG2 VAL A 99 0.097 -12.465 2.383 1.00 1.31 C ATOM 0 H VAL A 99 2.751 -13.401 0.050 1.00 1.36 H new ATOM 0 HA VAL A 99 -0.107 -14.015 0.125 1.00 1.29 H new ATOM 0 HB VAL A 99 1.147 -11.352 0.853 1.00 1.31 H new ATOM 0 HG11 VAL A 99 -1.175 -10.472 1.070 1.00 1.34 H new ATOM 0 HG12 VAL A 99 -0.793 -10.958 -0.599 1.00 1.34 H new ATOM 0 HG13 VAL A 99 -1.801 -12.008 0.425 1.00 1.34 H new ATOM 0 HG21 VAL A 99 -0.160 -11.591 2.981 1.00 1.31 H new ATOM 0 HG22 VAL A 99 -0.711 -13.194 2.439 1.00 1.31 H new ATOM 0 HG23 VAL A 99 1.015 -12.910 2.768 1.00 1.31 H new ATOM 1564 N GLU A 100 -0.154 -13.220 -2.276 1.00 1.15 N ATOM 1565 CA GLU A 100 -0.355 -12.623 -3.604 1.00 1.03 C ATOM 1566 C GLU A 100 -1.067 -11.270 -3.489 1.00 0.84 C ATOM 1567 O GLU A 100 -2.046 -11.143 -2.747 1.00 0.96 O ATOM 1568 CB GLU A 100 -1.230 -13.513 -4.505 1.00 1.23 C ATOM 1569 CG GLU A 100 -0.476 -14.652 -5.197 1.00 1.34 C ATOM 1570 CD GLU A 100 -1.314 -15.208 -6.352 1.00 2.08 C ATOM 1571 OE1 GLU A 100 -1.575 -14.422 -7.295 1.00 2.65 O ATOM 1572 OE2 GLU A 100 -1.711 -16.388 -6.291 1.00 3.17 O ATOM 0 H GLU A 100 -0.800 -13.981 -2.065 1.00 1.15 H new ATOM 0 HA GLU A 100 0.638 -12.510 -4.040 1.00 1.03 H new ATOM 0 HB2 GLU A 100 -2.033 -13.939 -3.904 1.00 1.23 H new ATOM 0 HB3 GLU A 100 -1.698 -12.889 -5.266 1.00 1.23 H new ATOM 0 HG2 GLU A 100 0.481 -14.290 -5.572 1.00 1.34 H new ATOM 0 HG3 GLU A 100 -0.259 -15.444 -4.480 1.00 1.34 H new ATOM 1579 N LEU A 101 -0.653 -10.287 -4.295 1.00 0.77 N ATOM 1580 CA LEU A 101 -1.379 -9.028 -4.440 1.00 0.71 C ATOM 1581 C LEU A 101 -1.224 -8.455 -5.855 1.00 0.67 C ATOM 1582 O LEU A 101 -0.143 -8.425 -6.440 1.00 0.80 O ATOM 1583 CB LEU A 101 -0.971 -8.080 -3.293 1.00 0.87 C ATOM 1584 CG LEU A 101 -1.832 -6.840 -3.046 1.00 1.13 C ATOM 1585 CD1 LEU A 101 -1.472 -6.220 -1.688 1.00 1.52 C ATOM 1586 CD2 LEU A 101 -1.657 -5.807 -4.164 1.00 1.67 C ATOM 0 H LEU A 101 0.193 -10.344 -4.862 1.00 0.77 H new ATOM 0 HA LEU A 101 -2.453 -9.185 -4.341 1.00 0.71 H new ATOM 0 HB2 LEU A 101 -0.950 -8.661 -2.371 1.00 0.87 H new ATOM 0 HB3 LEU A 101 0.049 -7.746 -3.483 1.00 0.87 H new ATOM 0 HG LEU A 101 -2.878 -7.147 -3.038 1.00 1.13 H new ATOM 0 HD11 LEU A 101 -2.088 -5.337 -1.516 1.00 1.52 H new ATOM 0 HD12 LEU A 101 -1.652 -6.948 -0.897 1.00 1.52 H new ATOM 0 HD13 LEU A 101 -0.420 -5.935 -1.686 1.00 1.52 H new ATOM 0 HD21 LEU A 101 -2.282 -4.938 -3.958 1.00 1.67 H new ATOM 0 HD22 LEU A 101 -0.613 -5.499 -4.214 1.00 1.67 H new ATOM 0 HD23 LEU A 101 -1.951 -6.248 -5.116 1.00 1.67 H new ATOM 1598 N ASP A 102 -2.347 -8.001 -6.396 1.00 0.60 N ATOM 1599 CA ASP A 102 -2.503 -7.409 -7.722 1.00 0.63 C ATOM 1600 C ASP A 102 -2.661 -5.880 -7.620 1.00 0.60 C ATOM 1601 O ASP A 102 -3.670 -5.377 -7.122 1.00 0.67 O ATOM 1602 CB ASP A 102 -3.755 -8.045 -8.343 1.00 0.77 C ATOM 1603 CG ASP A 102 -3.520 -9.224 -9.287 1.00 1.13 C ATOM 1604 OD1 ASP A 102 -2.430 -9.840 -9.273 1.00 2.28 O ATOM 1605 OD2 ASP A 102 -4.509 -9.567 -9.977 1.00 1.99 O ATOM 0 H ASP A 102 -3.231 -8.038 -5.889 1.00 0.60 H new ATOM 0 HA ASP A 102 -1.624 -7.596 -8.339 1.00 0.63 H new ATOM 0 HB2 ASP A 102 -4.406 -8.379 -7.535 1.00 0.77 H new ATOM 0 HB3 ASP A 102 -4.296 -7.272 -8.889 1.00 0.77 H new ATOM 1610 N LEU A 103 -1.667 -5.136 -8.104 1.00 0.60 N ATOM 1611 CA LEU A 103 -1.632 -3.673 -8.118 1.00 0.58 C ATOM 1612 C LEU A 103 -2.545 -3.142 -9.230 1.00 0.55 C ATOM 1613 O LEU A 103 -2.316 -3.420 -10.407 1.00 0.59 O ATOM 1614 CB LEU A 103 -0.186 -3.200 -8.362 1.00 0.66 C ATOM 1615 CG LEU A 103 0.878 -3.746 -7.392 1.00 0.86 C ATOM 1616 CD1 LEU A 103 2.258 -3.277 -7.874 1.00 1.26 C ATOM 1617 CD2 LEU A 103 0.621 -3.296 -5.949 1.00 1.06 C ATOM 0 H LEU A 103 -0.831 -5.552 -8.513 1.00 0.60 H new ATOM 0 HA LEU A 103 -1.982 -3.293 -7.159 1.00 0.58 H new ATOM 0 HB2 LEU A 103 0.099 -3.478 -9.376 1.00 0.66 H new ATOM 0 HB3 LEU A 103 -0.168 -2.111 -8.313 1.00 0.66 H new ATOM 0 HG LEU A 103 0.832 -4.835 -7.389 1.00 0.86 H new ATOM 0 HD11 LEU A 103 3.027 -3.654 -7.199 1.00 1.26 H new ATOM 0 HD12 LEU A 103 2.440 -3.656 -8.880 1.00 1.26 H new ATOM 0 HD13 LEU A 103 2.288 -2.187 -7.886 1.00 1.26 H new ATOM 0 HD21 LEU A 103 1.394 -3.703 -5.298 1.00 1.06 H new ATOM 0 HD22 LEU A 103 0.640 -2.207 -5.899 1.00 1.06 H new ATOM 0 HD23 LEU A 103 -0.355 -3.657 -5.624 1.00 1.06 H new ATOM 1629 N LEU A 104 -3.576 -2.375 -8.867 1.00 0.52 N ATOM 1630 CA LEU A 104 -4.611 -1.920 -9.801 1.00 0.52 C ATOM 1631 C LEU A 104 -4.256 -0.536 -10.349 1.00 0.51 C ATOM 1632 O LEU A 104 -4.145 0.420 -9.575 1.00 0.46 O ATOM 1633 CB LEU A 104 -5.985 -1.888 -9.102 1.00 0.53 C ATOM 1634 CG LEU A 104 -6.409 -3.153 -8.346 1.00 0.57 C ATOM 1635 CD1 LEU A 104 -7.844 -2.995 -7.823 1.00 0.62 C ATOM 1636 CD2 LEU A 104 -6.310 -4.426 -9.196 1.00 0.63 C ATOM 0 H LEU A 104 -3.718 -2.050 -7.911 1.00 0.52 H new ATOM 0 HA LEU A 104 -4.664 -2.620 -10.635 1.00 0.52 H new ATOM 0 HB2 LEU A 104 -5.988 -1.055 -8.399 1.00 0.53 H new ATOM 0 HB3 LEU A 104 -6.743 -1.672 -9.855 1.00 0.53 H new ATOM 0 HG LEU A 104 -5.712 -3.268 -7.516 1.00 0.57 H new ATOM 0 HD11 LEU A 104 -8.137 -3.898 -7.287 1.00 0.62 H new ATOM 0 HD12 LEU A 104 -7.893 -2.140 -7.148 1.00 0.62 H new ATOM 0 HD13 LEU A 104 -8.521 -2.834 -8.662 1.00 0.62 H new ATOM 0 HD21 LEU A 104 -6.624 -5.285 -8.603 1.00 0.63 H new ATOM 0 HD22 LEU A 104 -6.956 -4.332 -10.069 1.00 0.63 H new ATOM 0 HD23 LEU A 104 -5.279 -4.567 -9.521 1.00 0.63 H new ATOM 1648 N PHE A 105 -4.124 -0.392 -11.673 1.00 0.58 N ATOM 1649 CA PHE A 105 -3.724 0.870 -12.303 1.00 0.60 C ATOM 1650 C PHE A 105 -4.789 1.444 -13.244 1.00 0.64 C ATOM 1651 O PHE A 105 -5.216 0.822 -14.217 1.00 0.94 O ATOM 1652 CB PHE A 105 -2.401 0.700 -13.048 1.00 0.65 C ATOM 1653 CG PHE A 105 -1.196 0.492 -12.156 1.00 0.62 C ATOM 1654 CD1 PHE A 105 -0.514 1.602 -11.621 1.00 1.79 C ATOM 1655 CD2 PHE A 105 -0.733 -0.808 -11.885 1.00 1.65 C ATOM 1656 CE1 PHE A 105 0.641 1.416 -10.842 1.00 1.87 C ATOM 1657 CE2 PHE A 105 0.434 -0.991 -11.124 1.00 1.60 C ATOM 1658 CZ PHE A 105 1.125 0.118 -10.610 1.00 0.72 C ATOM 0 H PHE A 105 -4.292 -1.148 -12.337 1.00 0.58 H new ATOM 0 HA PHE A 105 -3.601 1.590 -11.494 1.00 0.60 H new ATOM 0 HB2 PHE A 105 -2.487 -0.151 -13.724 1.00 0.65 H new ATOM 0 HB3 PHE A 105 -2.231 1.582 -13.665 1.00 0.65 H new ATOM 0 HD1 PHE A 105 -0.880 2.600 -11.810 1.00 1.79 H new ATOM 0 HD2 PHE A 105 -1.273 -1.664 -12.261 1.00 1.65 H new ATOM 0 HE1 PHE A 105 1.155 2.269 -10.423 1.00 1.87 H new ATOM 0 HE2 PHE A 105 0.801 -1.989 -10.934 1.00 1.60 H new ATOM 0 HZ PHE A 105 2.028 -0.027 -10.036 1.00 0.72 H new ATOM 1668 N ALA A 106 -5.155 2.691 -12.946 1.00 0.58 N ATOM 1669 CA ALA A 106 -5.981 3.656 -13.684 1.00 0.72 C ATOM 1670 C ALA A 106 -7.423 3.239 -14.036 1.00 1.60 C ATOM 1671 O ALA A 106 -8.193 4.115 -14.432 1.00 2.86 O ATOM 1672 CB ALA A 106 -5.203 4.135 -14.917 1.00 1.49 C ATOM 0 H ALA A 106 -4.840 3.104 -12.068 1.00 0.58 H new ATOM 0 HA ALA A 106 -6.159 4.471 -12.983 1.00 0.72 H new ATOM 0 HB1 ALA A 106 -5.807 4.852 -15.473 1.00 1.49 H new ATOM 0 HB2 ALA A 106 -4.275 4.611 -14.600 1.00 1.49 H new ATOM 0 HB3 ALA A 106 -4.973 3.282 -15.556 1.00 1.49 H new ATOM 1678 N GLY A 107 -7.772 1.956 -13.897 1.00 1.97 N ATOM 1679 CA GLY A 107 -8.956 1.323 -14.496 1.00 2.90 C ATOM 1680 C GLY A 107 -8.653 0.572 -15.804 1.00 2.37 C ATOM 1681 O GLY A 107 -9.579 0.120 -16.467 1.00 3.59 O ATOM 0 H GLY A 107 -7.218 1.303 -13.343 1.00 1.97 H new ATOM 0 HA2 GLY A 107 -9.389 0.626 -13.778 1.00 2.90 H new ATOM 0 HA3 GLY A 107 -9.708 2.088 -14.691 1.00 2.90 H new ATOM 1685 N GLY A 108 -7.370 0.442 -16.183 1.00 1.52 N ATOM 1686 CA GLY A 108 -6.943 -0.102 -17.484 1.00 1.61 C ATOM 1687 C GLY A 108 -5.710 -1.013 -17.490 1.00 1.37 C ATOM 1688 O GLY A 108 -5.312 -1.453 -18.569 1.00 1.91 O ATOM 0 H GLY A 108 -6.590 0.716 -15.586 1.00 1.52 H new ATOM 0 HA2 GLY A 108 -7.778 -0.660 -17.908 1.00 1.61 H new ATOM 0 HA3 GLY A 108 -6.748 0.736 -18.153 1.00 1.61 H new ATOM 1692 N LYS A 109 -5.075 -1.278 -16.341 1.00 0.86 N ATOM 1693 CA LYS A 109 -3.974 -2.236 -16.151 1.00 0.78 C ATOM 1694 C LYS A 109 -4.038 -2.895 -14.754 1.00 0.74 C ATOM 1695 O LYS A 109 -4.545 -2.293 -13.813 1.00 0.78 O ATOM 1696 CB LYS A 109 -2.630 -1.486 -16.294 1.00 0.89 C ATOM 1697 CG LYS A 109 -1.671 -2.024 -17.360 1.00 1.40 C ATOM 1698 CD LYS A 109 -2.166 -1.976 -18.814 1.00 2.36 C ATOM 1699 CE LYS A 109 -2.417 -0.536 -19.287 1.00 3.12 C ATOM 1700 NZ LYS A 109 -3.386 -0.494 -20.412 1.00 4.17 N ATOM 0 H LYS A 109 -5.327 -0.806 -15.473 1.00 0.86 H new ATOM 0 HA LYS A 109 -4.062 -3.019 -16.904 1.00 0.78 H new ATOM 0 HB2 LYS A 109 -2.842 -0.441 -16.519 1.00 0.89 H new ATOM 0 HB3 LYS A 109 -2.120 -1.508 -15.331 1.00 0.89 H new ATOM 0 HG2 LYS A 109 -0.740 -1.460 -17.298 1.00 1.40 H new ATOM 0 HG3 LYS A 109 -1.434 -3.059 -17.114 1.00 1.40 H new ATOM 0 HD2 LYS A 109 -1.429 -2.448 -19.464 1.00 2.36 H new ATOM 0 HD3 LYS A 109 -3.086 -2.553 -18.903 1.00 2.36 H new ATOM 0 HE2 LYS A 109 -2.796 0.060 -18.457 1.00 3.12 H new ATOM 0 HE3 LYS A 109 -1.475 -0.085 -19.600 1.00 3.12 H new ATOM 0 HZ1 LYS A 109 -3.443 0.475 -20.785 1.00 4.17 H new ATOM 0 HZ2 LYS A 109 -3.070 -1.137 -21.166 1.00 4.17 H new ATOM 0 HZ3 LYS A 109 -4.324 -0.791 -20.074 1.00 4.17 H new ATOM 1714 N VAL A 110 -3.439 -4.076 -14.606 1.00 0.79 N ATOM 1715 CA VAL A 110 -3.174 -4.723 -13.321 1.00 0.77 C ATOM 1716 C VAL A 110 -1.887 -5.542 -13.414 1.00 0.84 C ATOM 1717 O VAL A 110 -1.714 -6.298 -14.368 1.00 0.99 O ATOM 1718 CB VAL A 110 -4.380 -5.564 -12.852 1.00 0.78 C ATOM 1719 CG1 VAL A 110 -4.899 -6.563 -13.901 1.00 0.89 C ATOM 1720 CG2 VAL A 110 -4.112 -6.305 -11.534 1.00 0.79 C ATOM 0 H VAL A 110 -3.115 -4.626 -15.401 1.00 0.79 H new ATOM 0 HA VAL A 110 -3.029 -3.957 -12.559 1.00 0.77 H new ATOM 0 HB VAL A 110 -5.162 -4.822 -12.691 1.00 0.78 H new ATOM 0 HG11 VAL A 110 -5.746 -7.113 -13.492 1.00 0.89 H new ATOM 0 HG12 VAL A 110 -5.214 -6.022 -14.793 1.00 0.89 H new ATOM 0 HG13 VAL A 110 -4.104 -7.262 -14.162 1.00 0.89 H new ATOM 0 HG21 VAL A 110 -4.995 -6.880 -11.254 1.00 0.79 H new ATOM 0 HG22 VAL A 110 -3.265 -6.980 -11.662 1.00 0.79 H new ATOM 0 HG23 VAL A 110 -3.885 -5.582 -10.750 1.00 0.79 H new ATOM 1730 N LEU A 111 -0.976 -5.329 -12.462 1.00 0.82 N ATOM 1731 CA LEU A 111 0.320 -5.996 -12.354 1.00 0.87 C ATOM 1732 C LEU A 111 0.345 -6.836 -11.073 1.00 0.86 C ATOM 1733 O LEU A 111 -0.016 -6.352 -10.003 1.00 0.94 O ATOM 1734 CB LEU A 111 1.419 -4.922 -12.287 1.00 0.93 C ATOM 1735 CG LEU A 111 1.801 -4.192 -13.590 1.00 1.17 C ATOM 1736 CD1 LEU A 111 2.568 -5.119 -14.545 1.00 2.36 C ATOM 1737 CD2 LEU A 111 0.661 -3.505 -14.359 1.00 2.29 C ATOM 0 H LEU A 111 -1.130 -4.656 -11.712 1.00 0.82 H new ATOM 0 HA LEU A 111 0.487 -6.644 -13.215 1.00 0.87 H new ATOM 0 HB2 LEU A 111 1.106 -4.170 -11.563 1.00 0.93 H new ATOM 0 HB3 LEU A 111 2.320 -5.391 -11.891 1.00 0.93 H new ATOM 0 HG LEU A 111 2.433 -3.379 -13.233 1.00 1.17 H new ATOM 0 HD11 LEU A 111 2.823 -4.574 -15.454 1.00 2.36 H new ATOM 0 HD12 LEU A 111 3.481 -5.465 -14.061 1.00 2.36 H new ATOM 0 HD13 LEU A 111 1.945 -5.977 -14.798 1.00 2.36 H new ATOM 0 HD21 LEU A 111 1.061 -3.029 -15.254 1.00 2.29 H new ATOM 0 HD22 LEU A 111 -0.084 -4.247 -14.645 1.00 2.29 H new ATOM 0 HD23 LEU A 111 0.197 -2.751 -13.724 1.00 2.29 H new ATOM 1749 N LYS A 112 0.805 -8.085 -11.142 1.00 1.03 N ATOM 1750 CA LYS A 112 0.929 -8.933 -9.946 1.00 1.07 C ATOM 1751 C LYS A 112 2.266 -8.695 -9.223 1.00 1.03 C ATOM 1752 O LYS A 112 3.316 -8.700 -9.864 1.00 1.37 O ATOM 1753 CB LYS A 112 0.741 -10.404 -10.353 1.00 1.45 C ATOM 1754 CG LYS A 112 0.736 -11.337 -9.129 1.00 1.66 C ATOM 1755 CD LYS A 112 0.410 -12.795 -9.486 1.00 1.76 C ATOM 1756 CE LYS A 112 -0.984 -12.995 -10.102 1.00 1.60 C ATOM 1757 NZ LYS A 112 -2.057 -12.566 -9.180 1.00 2.46 N ATOM 0 H LYS A 112 1.098 -8.535 -12.009 1.00 1.03 H new ATOM 0 HA LYS A 112 0.150 -8.668 -9.231 1.00 1.07 H new ATOM 0 HB2 LYS A 112 -0.196 -10.514 -10.898 1.00 1.45 H new ATOM 0 HB3 LYS A 112 1.541 -10.699 -11.032 1.00 1.45 H new ATOM 0 HG2 LYS A 112 1.712 -11.297 -8.645 1.00 1.66 H new ATOM 0 HG3 LYS A 112 0.006 -10.974 -8.406 1.00 1.66 H new ATOM 0 HD2 LYS A 112 1.161 -13.163 -10.186 1.00 1.76 H new ATOM 0 HD3 LYS A 112 0.488 -13.404 -8.586 1.00 1.76 H new ATOM 0 HE2 LYS A 112 -1.055 -12.430 -11.031 1.00 1.60 H new ATOM 0 HE3 LYS A 112 -1.122 -14.046 -10.357 1.00 1.60 H new ATOM 0 HZ1 LYS A 112 -2.975 -12.899 -9.537 1.00 2.46 H new ATOM 0 HZ2 LYS A 112 -1.886 -12.969 -8.237 1.00 2.46 H new ATOM 0 HZ3 LYS A 112 -2.066 -11.528 -9.116 1.00 2.46 H new ATOM 1771 N VAL A 113 2.235 -8.568 -7.895 1.00 0.84 N ATOM 1772 CA VAL A 113 3.390 -8.744 -7.005 1.00 0.91 C ATOM 1773 C VAL A 113 3.125 -9.899 -6.030 1.00 0.91 C ATOM 1774 O VAL A 113 1.985 -10.335 -5.859 1.00 0.99 O ATOM 1775 CB VAL A 113 3.753 -7.447 -6.241 1.00 1.09 C ATOM 1776 CG1 VAL A 113 4.242 -6.366 -7.219 1.00 1.26 C ATOM 1777 CG2 VAL A 113 2.610 -6.901 -5.367 1.00 1.35 C ATOM 0 H VAL A 113 1.380 -8.333 -7.391 1.00 0.84 H new ATOM 0 HA VAL A 113 4.252 -8.987 -7.627 1.00 0.91 H new ATOM 0 HB VAL A 113 4.557 -7.716 -5.556 1.00 1.09 H new ATOM 0 HG11 VAL A 113 4.493 -5.461 -6.665 1.00 1.26 H new ATOM 0 HG12 VAL A 113 5.126 -6.725 -7.746 1.00 1.26 H new ATOM 0 HG13 VAL A 113 3.455 -6.144 -7.939 1.00 1.26 H new ATOM 0 HG21 VAL A 113 2.939 -5.992 -4.863 1.00 1.35 H new ATOM 0 HG22 VAL A 113 1.748 -6.676 -5.995 1.00 1.35 H new ATOM 0 HG23 VAL A 113 2.332 -7.648 -4.623 1.00 1.35 H new ATOM 1787 N VAL A 114 4.189 -10.379 -5.389 1.00 0.99 N ATOM 1788 CA VAL A 114 4.119 -11.324 -4.269 1.00 1.08 C ATOM 1789 C VAL A 114 4.885 -10.710 -3.101 1.00 1.18 C ATOM 1790 O VAL A 114 5.875 -10.011 -3.315 1.00 1.30 O ATOM 1791 CB VAL A 114 4.636 -12.731 -4.661 1.00 1.26 C ATOM 1792 CG1 VAL A 114 6.135 -12.756 -5.006 1.00 1.50 C ATOM 1793 CG2 VAL A 114 4.312 -13.764 -3.571 1.00 2.36 C ATOM 0 H VAL A 114 5.144 -10.119 -5.636 1.00 0.99 H new ATOM 0 HA VAL A 114 3.082 -11.486 -3.975 1.00 1.08 H new ATOM 0 HB VAL A 114 4.105 -13.002 -5.573 1.00 1.26 H new ATOM 0 HG11 VAL A 114 6.430 -13.771 -5.271 1.00 1.50 H new ATOM 0 HG12 VAL A 114 6.326 -12.091 -5.848 1.00 1.50 H new ATOM 0 HG13 VAL A 114 6.712 -12.424 -4.143 1.00 1.50 H new ATOM 0 HG21 VAL A 114 4.687 -14.742 -3.874 1.00 2.36 H new ATOM 0 HG22 VAL A 114 4.787 -13.467 -2.636 1.00 2.36 H new ATOM 0 HG23 VAL A 114 3.233 -13.817 -3.429 1.00 2.36 H new ATOM 1803 N LEU A 115 4.377 -10.905 -1.883 1.00 1.23 N ATOM 1804 CA LEU A 115 4.828 -10.225 -0.669 1.00 1.36 C ATOM 1805 C LEU A 115 4.934 -11.236 0.494 1.00 1.35 C ATOM 1806 O LEU A 115 4.021 -12.052 0.648 1.00 1.45 O ATOM 1807 CB LEU A 115 3.800 -9.128 -0.304 1.00 1.64 C ATOM 1808 CG LEU A 115 3.498 -8.061 -1.381 1.00 1.68 C ATOM 1809 CD1 LEU A 115 2.342 -7.165 -0.910 1.00 2.10 C ATOM 1810 CD2 LEU A 115 4.710 -7.170 -1.689 1.00 1.70 C ATOM 0 H LEU A 115 3.616 -11.562 -1.709 1.00 1.23 H new ATOM 0 HA LEU A 115 5.808 -9.780 -0.841 1.00 1.36 H new ATOM 0 HB2 LEU A 115 2.862 -9.617 -0.040 1.00 1.64 H new ATOM 0 HB3 LEU A 115 4.155 -8.615 0.590 1.00 1.64 H new ATOM 0 HG LEU A 115 3.234 -8.598 -2.292 1.00 1.68 H new ATOM 0 HD11 LEU A 115 2.131 -6.414 -1.671 1.00 2.10 H new ATOM 0 HD12 LEU A 115 1.453 -7.774 -0.745 1.00 2.10 H new ATOM 0 HD13 LEU A 115 2.621 -6.671 0.021 1.00 2.10 H new ATOM 0 HD21 LEU A 115 4.440 -6.440 -2.452 1.00 1.70 H new ATOM 0 HD22 LEU A 115 5.019 -6.650 -0.782 1.00 1.70 H new ATOM 0 HD23 LEU A 115 5.532 -7.787 -2.052 1.00 1.70 H new ATOM 1822 N PRO A 116 5.975 -11.179 1.345 1.00 1.30 N ATOM 1823 CA PRO A 116 6.024 -11.898 2.613 1.00 1.29 C ATOM 1824 C PRO A 116 5.249 -11.148 3.707 1.00 1.15 C ATOM 1825 O PRO A 116 5.192 -9.916 3.714 1.00 1.05 O ATOM 1826 CB PRO A 116 7.513 -11.993 2.953 1.00 1.34 C ATOM 1827 CG PRO A 116 8.073 -10.688 2.383 1.00 1.32 C ATOM 1828 CD PRO A 116 7.227 -10.475 1.127 1.00 1.29 C ATOM 0 HA PRO A 116 5.559 -12.881 2.544 1.00 1.29 H new ATOM 0 HB2 PRO A 116 7.679 -12.069 4.028 1.00 1.34 H new ATOM 0 HB3 PRO A 116 7.978 -12.867 2.496 1.00 1.34 H new ATOM 0 HG2 PRO A 116 7.968 -9.862 3.086 1.00 1.32 H new ATOM 0 HG3 PRO A 116 9.134 -10.772 2.147 1.00 1.32 H new ATOM 0 HD2 PRO A 116 7.050 -9.413 0.955 1.00 1.29 H new ATOM 0 HD3 PRO A 116 7.739 -10.860 0.245 1.00 1.29 H new ATOM 1836 N VAL A 117 4.691 -11.890 4.663 1.00 1.23 N ATOM 1837 CA VAL A 117 4.134 -11.389 5.915 1.00 1.16 C ATOM 1838 C VAL A 117 5.246 -11.326 6.969 1.00 1.21 C ATOM 1839 O VAL A 117 5.846 -12.347 7.311 1.00 1.56 O ATOM 1840 CB VAL A 117 3.000 -12.301 6.407 1.00 1.26 C ATOM 1841 CG1 VAL A 117 2.371 -11.728 7.666 1.00 1.31 C ATOM 1842 CG2 VAL A 117 1.899 -12.501 5.360 1.00 1.25 C ATOM 0 H VAL A 117 4.612 -12.904 4.580 1.00 1.23 H new ATOM 0 HA VAL A 117 3.724 -10.393 5.749 1.00 1.16 H new ATOM 0 HB VAL A 117 3.455 -13.271 6.609 1.00 1.26 H new ATOM 0 HG11 VAL A 117 1.569 -12.385 8.003 1.00 1.31 H new ATOM 0 HG12 VAL A 117 3.127 -11.648 8.447 1.00 1.31 H new ATOM 0 HG13 VAL A 117 1.965 -10.739 7.452 1.00 1.31 H new ATOM 0 HG21 VAL A 117 1.126 -13.154 5.765 1.00 1.25 H new ATOM 0 HG22 VAL A 117 1.461 -11.536 5.103 1.00 1.25 H new ATOM 0 HG23 VAL A 117 2.326 -12.955 4.466 1.00 1.25 H new ATOM 1852 N GLU A 118 5.494 -10.126 7.493 1.00 0.95 N ATOM 1853 CA GLU A 118 6.639 -9.808 8.353 1.00 0.97 C ATOM 1854 C GLU A 118 6.268 -8.823 9.473 1.00 1.02 C ATOM 1855 O GLU A 118 5.258 -8.116 9.390 1.00 1.21 O ATOM 1856 CB GLU A 118 7.762 -9.190 7.505 1.00 1.30 C ATOM 1857 CG GLU A 118 8.251 -10.099 6.370 1.00 2.84 C ATOM 1858 CD GLU A 118 9.449 -9.453 5.699 1.00 3.73 C ATOM 1859 OE1 GLU A 118 9.274 -8.410 5.039 1.00 4.60 O ATOM 1860 OE2 GLU A 118 10.592 -9.889 5.931 1.00 4.32 O ATOM 0 H GLU A 118 4.887 -9.323 7.327 1.00 0.95 H new ATOM 0 HA GLU A 118 6.967 -10.739 8.814 1.00 0.97 H new ATOM 0 HB2 GLU A 118 7.409 -8.251 7.079 1.00 1.30 H new ATOM 0 HB3 GLU A 118 8.604 -8.949 8.154 1.00 1.30 H new ATOM 0 HG2 GLU A 118 8.523 -11.079 6.763 1.00 2.84 H new ATOM 0 HG3 GLU A 118 7.453 -10.257 5.644 1.00 2.84 H new ATOM 1867 N ALA A 119 7.104 -8.749 10.513 1.00 1.28 N ATOM 1868 CA ALA A 119 7.063 -7.690 11.519 1.00 1.80 C ATOM 1869 C ALA A 119 8.087 -6.603 11.148 1.00 2.52 C ATOM 1870 O ALA A 119 9.255 -6.914 10.920 1.00 3.71 O ATOM 1871 CB ALA A 119 7.338 -8.308 12.896 1.00 2.01 C ATOM 0 H ALA A 119 7.839 -9.436 10.680 1.00 1.28 H new ATOM 0 HA ALA A 119 6.082 -7.217 11.555 1.00 1.80 H new ATOM 0 HB1 ALA A 119 7.310 -7.528 13.657 1.00 2.01 H new ATOM 0 HB2 ALA A 119 6.578 -9.057 13.117 1.00 2.01 H new ATOM 0 HB3 ALA A 119 8.321 -8.778 12.894 1.00 2.01 H new ATOM 1877 N ARG A 120 7.623 -5.352 11.070 1.00 2.27 N ATOM 1878 CA ARG A 120 8.293 -4.127 10.578 1.00 2.76 C ATOM 1879 C ARG A 120 7.517 -2.892 11.065 1.00 2.91 C ATOM 1880 O ARG A 120 6.462 -3.108 11.708 1.00 2.50 O ATOM 1881 CB ARG A 120 8.379 -4.114 9.032 1.00 2.86 C ATOM 1882 CG ARG A 120 9.186 -5.259 8.401 1.00 3.53 C ATOM 1883 CD ARG A 120 9.441 -5.017 6.910 1.00 4.47 C ATOM 1884 NE ARG A 120 10.142 -6.149 6.288 1.00 5.87 N ATOM 1885 CZ ARG A 120 11.429 -6.409 6.287 1.00 6.44 C ATOM 1886 NH1 ARG A 120 12.292 -5.630 6.875 1.00 5.99 N ATOM 1887 NH2 ARG A 120 11.882 -7.474 5.708 1.00 7.97 N ATOM 1888 OXT ARG A 120 7.922 -1.768 10.732 1.00 4.14 O ATOM 0 H ARG A 120 6.674 -5.143 11.379 1.00 2.27 H new ATOM 0 HA ARG A 120 9.309 -4.109 10.972 1.00 2.76 H new ATOM 0 HB2 ARG A 120 7.366 -4.143 8.630 1.00 2.86 H new ATOM 0 HB3 ARG A 120 8.820 -3.168 8.719 1.00 2.86 H new ATOM 0 HG2 ARG A 120 10.138 -5.363 8.921 1.00 3.53 H new ATOM 0 HG3 ARG A 120 8.648 -6.198 8.531 1.00 3.53 H new ATOM 0 HD2 ARG A 120 8.492 -4.852 6.400 1.00 4.47 H new ATOM 0 HD3 ARG A 120 10.032 -4.110 6.784 1.00 4.47 H new ATOM 0 HE ARG A 120 9.553 -6.819 5.793 1.00 5.87 H new ATOM 0 HH11 ARG A 120 11.975 -4.788 7.356 1.00 5.99 H new ATOM 0 HH12 ARG A 120 13.285 -5.862 6.855 1.00 5.99 H new ATOM 0 HH21 ARG A 120 11.238 -8.118 5.248 1.00 7.97 H new ATOM 0 HH22 ARG A 120 12.883 -7.670 5.711 1.00 7.97 H new