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 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 46 HIS : +bothHN:sc= -0.789 K(o=0.8,f=-3.8!) USER MOD Set 2.2: A 48 THR OG1 : rot 11:sc= 0.594 USER MOD Set 2.3: A 83 HIS : no HE2:sc= 0.993 K(o=0.8,f=-3.8!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.358 USER MOD Single : A 15 ASN : amide:sc= 0.0977 K(o=0.098,f=-4.1!) USER MOD Single : A 19 TYR OH : rot 70:sc= 0 USER MOD Single : A 21 THR OG1 : rot 110:sc= -0.564 USER MOD Single : A 24 ASN : amide:sc= 0.033 K(o=0.033,f=-7.5!) USER MOD Single : A 37 THR OG1 : rot 97:sc= 0.323 USER MOD Single : A 56 LYS NZ :NH3+ 157:sc= 0.237 (180deg=-2.12!) USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 1.78 (180deg=1.73) USER MOD Single : A 61 MET CE :methyl -170:sc=-0.00482 (180deg=-0.145) USER MOD Single : A 72 LYS NZ :NH3+ -106:sc= 1.67 (180deg=0.929) USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= 0.867 (180deg=-0.00172) USER MOD Single : A 82 TYR OH : rot 27:sc= 0.77 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -131:sc= 0.303 (180deg=-1.24!) USER MOD Single : A 94 LYS NZ :NH3+ -116:sc= -0.389 (180deg=-1.8) USER MOD Single : A 109 LYS NZ :NH3+ 158:sc= 0.468 (180deg=-0.329) USER MOD Single : A 112 LYS NZ :NH3+ -101:sc= 0.34 (180deg=-0.723!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 3.730 -3.230 11.537 1.00 1.73 N ATOM 56 CA GLU A 5 3.025 -2.033 11.977 1.00 1.72 C ATOM 57 C GLU A 5 2.273 -1.380 10.797 1.00 1.37 C ATOM 58 O GLU A 5 2.538 -0.242 10.412 1.00 1.51 O ATOM 59 CB GLU A 5 4.049 -1.109 12.676 1.00 2.84 C ATOM 60 CG GLU A 5 5.441 -0.995 12.027 1.00 3.87 C ATOM 61 CD GLU A 5 6.488 -1.949 12.612 1.00 4.52 C ATOM 62 OE1 GLU A 5 6.317 -3.188 12.528 1.00 4.69 O ATOM 63 OE2 GLU A 5 7.522 -1.430 13.083 1.00 5.56 O ATOM 0 HA GLU A 5 2.246 -2.268 12.703 1.00 1.72 H new ATOM 0 HB2 GLU A 5 3.619 -0.109 12.735 1.00 2.84 H new ATOM 0 HB3 GLU A 5 4.180 -1.460 13.700 1.00 2.84 H new ATOM 0 HG2 GLU A 5 5.348 -1.187 10.958 1.00 3.87 H new ATOM 0 HG3 GLU A 5 5.798 0.029 12.137 1.00 3.87 H new ATOM 70 N GLY A 6 1.373 -2.131 10.146 1.00 1.31 N ATOM 71 CA GLY A 6 0.638 -1.704 8.947 1.00 0.95 C ATOM 72 C GLY A 6 -0.779 -2.264 8.920 1.00 0.69 C ATOM 73 O GLY A 6 -1.087 -3.170 9.688 1.00 0.78 O ATOM 0 H GLY A 6 1.130 -3.075 10.446 1.00 1.31 H new ATOM 0 HA2 GLY A 6 0.599 -0.615 8.914 1.00 0.95 H new ATOM 0 HA3 GLY A 6 1.175 -2.031 8.056 1.00 0.95 H new ATOM 77 N TRP A 7 -1.649 -1.755 8.038 1.00 0.59 N ATOM 78 CA TRP A 7 -3.064 -2.166 7.992 1.00 0.56 C ATOM 79 C TRP A 7 -3.755 -1.972 6.622 1.00 0.53 C ATOM 80 O TRP A 7 -3.210 -1.324 5.734 1.00 0.55 O ATOM 81 CB TRP A 7 -3.844 -1.493 9.137 1.00 0.66 C ATOM 82 CG TRP A 7 -4.167 -0.038 8.983 1.00 0.65 C ATOM 83 CD1 TRP A 7 -5.396 0.456 8.723 1.00 0.76 C ATOM 84 CD2 TRP A 7 -3.303 1.131 9.149 1.00 0.90 C ATOM 85 NE1 TRP A 7 -5.371 1.834 8.746 1.00 1.05 N ATOM 86 CE2 TRP A 7 -4.096 2.309 8.982 1.00 1.18 C ATOM 87 CE3 TRP A 7 -1.938 1.317 9.454 1.00 1.08 C ATOM 88 CZ2 TRP A 7 -3.556 3.599 9.102 1.00 1.59 C ATOM 89 CZ3 TRP A 7 -1.384 2.603 9.569 1.00 1.47 C ATOM 90 CH2 TRP A 7 -2.187 3.743 9.395 1.00 1.72 C ATOM 0 H TRP A 7 -1.398 -1.053 7.341 1.00 0.59 H new ATOM 0 HA TRP A 7 -3.073 -3.247 8.135 1.00 0.56 H new ATOM 0 HB2 TRP A 7 -4.780 -2.034 9.272 1.00 0.66 H new ATOM 0 HB3 TRP A 7 -3.270 -1.616 10.055 1.00 0.66 H new ATOM 0 HD1 TRP A 7 -6.273 -0.143 8.525 1.00 0.76 H new ATOM 0 HE1 TRP A 7 -6.189 2.427 8.607 1.00 1.05 H new ATOM 0 HE3 TRP A 7 -1.306 0.454 9.602 1.00 1.08 H new ATOM 0 HZ2 TRP A 7 -4.182 4.469 8.971 1.00 1.59 H new ATOM 0 HZ3 TRP A 7 -0.334 2.716 9.793 1.00 1.47 H new ATOM 0 HH2 TRP A 7 -1.754 4.728 9.486 1.00 1.72 H new ATOM 101 N VAL A 8 -4.948 -2.548 6.437 1.00 0.70 N ATOM 102 CA VAL A 8 -5.753 -2.528 5.189 1.00 0.68 C ATOM 103 C VAL A 8 -7.120 -1.852 5.434 1.00 0.74 C ATOM 104 O VAL A 8 -7.737 -2.132 6.452 1.00 0.81 O ATOM 105 CB VAL A 8 -5.956 -3.968 4.652 1.00 0.76 C ATOM 106 CG1 VAL A 8 -6.738 -3.997 3.328 1.00 0.97 C ATOM 107 CG2 VAL A 8 -4.612 -4.690 4.441 1.00 0.88 C ATOM 0 H VAL A 8 -5.409 -3.068 7.183 1.00 0.70 H new ATOM 0 HA VAL A 8 -5.210 -1.950 4.441 1.00 0.68 H new ATOM 0 HB VAL A 8 -6.537 -4.485 5.416 1.00 0.76 H new ATOM 0 HG11 VAL A 8 -6.852 -5.029 2.996 1.00 0.97 H new ATOM 0 HG12 VAL A 8 -7.722 -3.552 3.477 1.00 0.97 H new ATOM 0 HG13 VAL A 8 -6.194 -3.430 2.572 1.00 0.97 H new ATOM 0 HG21 VAL A 8 -4.795 -5.696 4.064 1.00 0.88 H new ATOM 0 HG22 VAL A 8 -4.011 -4.136 3.720 1.00 0.88 H new ATOM 0 HG23 VAL A 8 -4.078 -4.749 5.389 1.00 0.88 H new ATOM 117 N ARG A 9 -7.582 -0.998 4.498 1.00 0.80 N ATOM 118 CA ARG A 9 -8.593 0.086 4.663 1.00 0.95 C ATOM 119 C ARG A 9 -9.901 -0.245 5.414 1.00 1.14 C ATOM 120 O ARG A 9 -10.503 0.673 5.960 1.00 2.84 O ATOM 121 CB ARG A 9 -8.933 0.642 3.246 1.00 1.47 C ATOM 122 CG ARG A 9 -9.485 2.076 3.025 1.00 1.90 C ATOM 123 CD ARG A 9 -10.735 2.447 3.826 1.00 1.86 C ATOM 124 NE ARG A 9 -11.340 3.732 3.481 1.00 2.28 N ATOM 125 CZ ARG A 9 -12.633 4.007 3.586 1.00 3.20 C ATOM 126 NH1 ARG A 9 -13.584 3.111 3.405 1.00 4.14 N ATOM 127 NH2 ARG A 9 -12.961 5.234 3.927 1.00 3.77 N ATOM 0 H ARG A 9 -7.240 -1.044 3.538 1.00 0.80 H new ATOM 0 HA ARG A 9 -8.114 0.810 5.322 1.00 0.95 H new ATOM 0 HB2 ARG A 9 -8.022 0.563 2.653 1.00 1.47 H new ATOM 0 HB3 ARG A 9 -9.659 -0.043 2.808 1.00 1.47 H new ATOM 0 HG2 ARG A 9 -8.697 2.788 3.269 1.00 1.90 H new ATOM 0 HG3 ARG A 9 -9.708 2.198 1.965 1.00 1.90 H new ATOM 0 HD2 ARG A 9 -11.481 1.664 3.687 1.00 1.86 H new ATOM 0 HD3 ARG A 9 -10.478 2.458 4.885 1.00 1.86 H new ATOM 0 HE ARG A 9 -10.725 4.469 3.135 1.00 2.28 H new ATOM 0 HH11 ARG A 9 -13.340 2.149 3.171 1.00 4.14 H new ATOM 0 HH12 ARG A 9 -14.563 3.381 3.499 1.00 4.14 H new ATOM 0 HH21 ARG A 9 -12.233 5.928 4.098 1.00 3.77 H new ATOM 0 HH22 ARG A 9 -13.943 5.492 4.020 1.00 3.77 H new ATOM 141 N PHE A 10 -10.408 -1.475 5.340 1.00 0.76 N ATOM 142 CA PHE A 10 -11.780 -1.858 5.714 1.00 0.68 C ATOM 143 C PHE A 10 -12.851 -1.315 4.725 1.00 0.82 C ATOM 144 O PHE A 10 -12.851 -0.148 4.330 1.00 1.06 O ATOM 145 CB PHE A 10 -12.094 -1.517 7.196 1.00 0.94 C ATOM 146 CG PHE A 10 -13.481 -0.948 7.434 1.00 1.35 C ATOM 147 CD1 PHE A 10 -14.586 -1.810 7.511 1.00 1.47 C ATOM 148 CD2 PHE A 10 -13.686 0.447 7.455 1.00 2.56 C ATOM 149 CE1 PHE A 10 -15.890 -1.293 7.545 1.00 1.89 C ATOM 150 CE2 PHE A 10 -14.988 0.966 7.540 1.00 3.10 C ATOM 151 CZ PHE A 10 -16.094 0.096 7.572 1.00 2.50 C ATOM 0 H PHE A 10 -9.858 -2.266 5.006 1.00 0.76 H new ATOM 0 HA PHE A 10 -11.834 -2.943 5.629 1.00 0.68 H new ATOM 0 HB2 PHE A 10 -11.979 -2.420 7.795 1.00 0.94 H new ATOM 0 HB3 PHE A 10 -11.355 -0.800 7.554 1.00 0.94 H new ATOM 0 HD1 PHE A 10 -14.432 -2.878 7.544 1.00 1.47 H new ATOM 0 HD2 PHE A 10 -12.840 1.117 7.406 1.00 2.56 H new ATOM 0 HE1 PHE A 10 -16.737 -1.963 7.550 1.00 1.89 H new ATOM 0 HE2 PHE A 10 -15.141 2.034 7.581 1.00 3.10 H new ATOM 0 HZ PHE A 10 -17.096 0.496 7.617 1.00 2.50 H new ATOM 161 N SER A 11 -13.812 -2.175 4.369 1.00 0.98 N ATOM 162 CA SER A 11 -15.091 -1.900 3.687 1.00 1.34 C ATOM 163 C SER A 11 -15.852 -3.216 3.399 1.00 1.49 C ATOM 164 O SER A 11 -15.205 -4.243 3.176 1.00 1.54 O ATOM 165 CB SER A 11 -14.883 -1.158 2.349 1.00 1.62 C ATOM 166 OG SER A 11 -16.117 -0.856 1.712 1.00 2.74 O ATOM 0 H SER A 11 -13.710 -3.170 4.566 1.00 0.98 H new ATOM 0 HA SER A 11 -15.671 -1.267 4.359 1.00 1.34 H new ATOM 0 HB2 SER A 11 -14.332 -0.235 2.528 1.00 1.62 H new ATOM 0 HB3 SER A 11 -14.273 -1.771 1.686 1.00 1.62 H new ATOM 0 HG SER A 11 -15.944 -0.385 0.870 1.00 2.74 H new ATOM 172 N PRO A 12 -17.199 -3.213 3.334 1.00 1.79 N ATOM 173 CA PRO A 12 -17.970 -4.316 2.761 1.00 2.00 C ATOM 174 C PRO A 12 -17.938 -4.356 1.215 1.00 1.92 C ATOM 175 O PRO A 12 -18.459 -5.304 0.634 1.00 2.69 O ATOM 176 CB PRO A 12 -19.395 -4.104 3.282 1.00 2.41 C ATOM 177 CG PRO A 12 -19.499 -2.584 3.384 1.00 2.41 C ATOM 178 CD PRO A 12 -18.099 -2.182 3.843 1.00 2.17 C ATOM 0 HA PRO A 12 -17.547 -5.276 3.057 1.00 2.00 H new ATOM 0 HB2 PRO A 12 -20.140 -4.515 2.600 1.00 2.41 H new ATOM 0 HB3 PRO A 12 -19.548 -4.585 4.248 1.00 2.41 H new ATOM 0 HG2 PRO A 12 -19.757 -2.131 2.427 1.00 2.41 H new ATOM 0 HG3 PRO A 12 -20.263 -2.277 4.098 1.00 2.41 H new ATOM 0 HD2 PRO A 12 -17.828 -1.200 3.455 1.00 2.17 H new ATOM 0 HD3 PRO A 12 -18.047 -2.120 4.930 1.00 2.17 H new ATOM 186 N GLY A 13 -17.370 -3.337 0.550 1.00 1.28 N ATOM 187 CA GLY A 13 -17.412 -3.159 -0.908 1.00 1.22 C ATOM 188 C GLY A 13 -16.333 -3.923 -1.703 1.00 1.07 C ATOM 189 O GLY A 13 -15.433 -4.511 -1.109 1.00 1.15 O ATOM 0 H GLY A 13 -16.856 -2.595 1.025 1.00 1.28 H new ATOM 0 HA2 GLY A 13 -18.392 -3.473 -1.266 1.00 1.22 H new ATOM 0 HA3 GLY A 13 -17.317 -2.096 -1.129 1.00 1.22 H new ATOM 193 N PRO A 14 -16.417 -3.909 -3.054 1.00 1.03 N ATOM 194 CA PRO A 14 -15.591 -4.715 -3.963 1.00 1.06 C ATOM 195 C PRO A 14 -14.180 -4.162 -4.222 1.00 0.84 C ATOM 196 O PRO A 14 -13.326 -4.869 -4.762 1.00 0.95 O ATOM 197 CB PRO A 14 -16.370 -4.724 -5.279 1.00 1.30 C ATOM 198 CG PRO A 14 -17.095 -3.382 -5.281 1.00 1.29 C ATOM 199 CD PRO A 14 -17.436 -3.184 -3.808 1.00 1.17 C ATOM 0 HA PRO A 14 -15.424 -5.696 -3.517 1.00 1.06 H new ATOM 0 HB2 PRO A 14 -15.705 -4.821 -6.137 1.00 1.30 H new ATOM 0 HB3 PRO A 14 -17.071 -5.558 -5.323 1.00 1.30 H new ATOM 0 HG2 PRO A 14 -16.462 -2.580 -5.662 1.00 1.29 H new ATOM 0 HG3 PRO A 14 -17.989 -3.405 -5.904 1.00 1.29 H new ATOM 0 HD2 PRO A 14 -17.435 -2.126 -3.547 1.00 1.17 H new ATOM 0 HD3 PRO A 14 -18.432 -3.566 -3.584 1.00 1.17 H new ATOM 207 N ASN A 15 -13.943 -2.893 -3.890 1.00 0.70 N ATOM 208 CA ASN A 15 -12.694 -2.174 -4.026 1.00 0.60 C ATOM 209 C ASN A 15 -12.220 -1.548 -2.696 1.00 0.57 C ATOM 210 O ASN A 15 -13.009 -1.179 -1.823 1.00 0.75 O ATOM 211 CB ASN A 15 -12.862 -1.131 -5.140 1.00 0.90 C ATOM 212 CG ASN A 15 -14.053 -0.170 -5.034 1.00 1.33 C ATOM 213 OD1 ASN A 15 -15.002 -0.347 -4.281 1.00 2.25 O ATOM 214 ND2 ASN A 15 -14.022 0.891 -5.822 1.00 1.58 N ATOM 0 H ASN A 15 -14.676 -2.307 -3.492 1.00 0.70 H new ATOM 0 HA ASN A 15 -11.903 -2.873 -4.299 1.00 0.60 H new ATOM 0 HB2 ASN A 15 -11.951 -0.534 -5.183 1.00 0.90 H new ATOM 0 HB3 ASN A 15 -12.941 -1.662 -6.089 1.00 0.90 H new ATOM 0 HD21 ASN A 15 -14.789 1.563 -5.803 1.00 1.58 H new ATOM 0 HD22 ASN A 15 -13.231 1.038 -6.449 1.00 1.58 H new ATOM 221 N ALA A 16 -10.895 -1.439 -2.539 1.00 0.53 N ATOM 222 CA ALA A 16 -10.208 -1.155 -1.273 1.00 0.50 C ATOM 223 C ALA A 16 -8.812 -0.524 -1.483 1.00 0.46 C ATOM 224 O ALA A 16 -8.422 -0.223 -2.608 1.00 0.45 O ATOM 225 CB ALA A 16 -10.162 -2.456 -0.458 1.00 0.56 C ATOM 0 H ALA A 16 -10.248 -1.550 -3.319 1.00 0.53 H new ATOM 0 HA ALA A 16 -10.763 -0.400 -0.715 1.00 0.50 H new ATOM 0 HB1 ALA A 16 -9.656 -2.274 0.490 1.00 0.56 H new ATOM 0 HB2 ALA A 16 -11.178 -2.801 -0.266 1.00 0.56 H new ATOM 0 HB3 ALA A 16 -9.620 -3.217 -1.018 1.00 0.56 H new ATOM 231 N ALA A 17 -8.065 -0.295 -0.400 1.00 0.48 N ATOM 232 CA ALA A 17 -6.702 0.252 -0.371 1.00 0.46 C ATOM 233 C ALA A 17 -5.897 -0.411 0.773 1.00 0.50 C ATOM 234 O ALA A 17 -6.513 -0.965 1.685 1.00 0.72 O ATOM 235 CB ALA A 17 -6.791 1.774 -0.191 1.00 0.49 C ATOM 0 H ALA A 17 -8.414 -0.498 0.537 1.00 0.48 H new ATOM 0 HA ALA A 17 -6.182 0.039 -1.305 1.00 0.46 H new ATOM 0 HB1 ALA A 17 -5.787 2.197 -0.167 1.00 0.49 H new ATOM 0 HB2 ALA A 17 -7.347 2.207 -1.022 1.00 0.49 H new ATOM 0 HB3 ALA A 17 -7.302 2.000 0.745 1.00 0.49 H new ATOM 241 N ALA A 18 -4.562 -0.343 0.769 1.00 0.45 N ATOM 242 CA ALA A 18 -3.715 -0.972 1.799 1.00 0.47 C ATOM 243 C ALA A 18 -2.464 -0.148 2.147 1.00 0.42 C ATOM 244 O ALA A 18 -1.828 0.434 1.266 1.00 0.43 O ATOM 245 CB ALA A 18 -3.351 -2.397 1.362 1.00 0.53 C ATOM 0 H ALA A 18 -4.032 0.151 0.051 1.00 0.45 H new ATOM 0 HA ALA A 18 -4.295 -1.013 2.721 1.00 0.47 H new ATOM 0 HB1 ALA A 18 -2.725 -2.862 2.123 1.00 0.53 H new ATOM 0 HB2 ALA A 18 -4.262 -2.982 1.234 1.00 0.53 H new ATOM 0 HB3 ALA A 18 -2.808 -2.360 0.418 1.00 0.53 H new ATOM 251 N TYR A 19 -2.112 -0.133 3.438 1.00 0.47 N ATOM 252 CA TYR A 19 -1.202 0.823 4.083 1.00 0.52 C ATOM 253 C TYR A 19 -0.123 0.111 4.927 1.00 0.67 C ATOM 254 O TYR A 19 -0.090 0.219 6.156 1.00 1.42 O ATOM 255 CB TYR A 19 -2.050 1.778 4.950 1.00 0.69 C ATOM 256 CG TYR A 19 -3.191 2.461 4.219 1.00 0.92 C ATOM 257 CD1 TYR A 19 -2.929 3.513 3.323 1.00 1.80 C ATOM 258 CD2 TYR A 19 -4.514 2.027 4.426 1.00 2.37 C ATOM 259 CE1 TYR A 19 -3.987 4.131 2.629 1.00 2.03 C ATOM 260 CE2 TYR A 19 -5.575 2.639 3.736 1.00 2.69 C ATOM 261 CZ TYR A 19 -5.312 3.691 2.831 1.00 1.82 C ATOM 262 OH TYR A 19 -6.335 4.284 2.160 1.00 2.34 O ATOM 0 H TYR A 19 -2.473 -0.824 4.096 1.00 0.47 H new ATOM 0 HA TYR A 19 -0.666 1.386 3.319 1.00 0.52 H new ATOM 0 HB2 TYR A 19 -2.460 1.216 5.789 1.00 0.69 H new ATOM 0 HB3 TYR A 19 -1.396 2.543 5.368 1.00 0.69 H new ATOM 0 HD1 TYR A 19 -1.914 3.848 3.167 1.00 1.80 H new ATOM 0 HD2 TYR A 19 -4.715 1.222 5.117 1.00 2.37 H new ATOM 0 HE1 TYR A 19 -3.784 4.940 1.943 1.00 2.03 H new ATOM 0 HE2 TYR A 19 -6.589 2.305 3.898 1.00 2.69 H new ATOM 0 HH TYR A 19 -6.283 4.048 1.210 1.00 2.34 H new ATOM 272 N LEU A 20 0.740 -0.694 4.283 1.00 0.90 N ATOM 273 CA LEU A 20 1.823 -1.419 4.971 1.00 0.89 C ATOM 274 C LEU A 20 3.076 -0.566 5.246 1.00 0.87 C ATOM 275 O LEU A 20 3.364 0.425 4.577 1.00 0.81 O ATOM 276 CB LEU A 20 2.124 -2.757 4.263 1.00 0.99 C ATOM 277 CG LEU A 20 2.943 -2.690 2.954 1.00 1.02 C ATOM 278 CD1 LEU A 20 4.465 -2.625 3.168 1.00 1.93 C ATOM 279 CD2 LEU A 20 2.645 -3.939 2.122 1.00 1.64 C ATOM 0 H LEU A 20 0.707 -0.860 3.277 1.00 0.90 H new ATOM 0 HA LEU A 20 1.457 -1.658 5.970 1.00 0.89 H new ATOM 0 HB2 LEU A 20 2.658 -3.398 4.964 1.00 0.99 H new ATOM 0 HB3 LEU A 20 1.174 -3.245 4.044 1.00 0.99 H new ATOM 0 HG LEU A 20 2.644 -1.768 2.455 1.00 1.02 H new ATOM 0 HD11 LEU A 20 4.967 -2.580 2.201 1.00 1.93 H new ATOM 0 HD12 LEU A 20 4.713 -1.736 3.747 1.00 1.93 H new ATOM 0 HD13 LEU A 20 4.795 -3.513 3.707 1.00 1.93 H new ATOM 0 HD21 LEU A 20 3.217 -3.904 1.195 1.00 1.64 H new ATOM 0 HD22 LEU A 20 2.924 -4.828 2.687 1.00 1.64 H new ATOM 0 HD23 LEU A 20 1.581 -3.976 1.890 1.00 1.64 H new ATOM 291 N THR A 21 3.875 -1.003 6.217 1.00 1.05 N ATOM 292 CA THR A 21 5.115 -0.357 6.676 1.00 1.26 C ATOM 293 C THR A 21 6.302 -0.944 5.922 1.00 1.47 C ATOM 294 O THR A 21 6.739 -2.052 6.225 1.00 1.83 O ATOM 295 CB THR A 21 5.252 -0.515 8.210 1.00 1.41 C ATOM 296 OG1 THR A 21 4.276 -1.397 8.708 1.00 2.15 O ATOM 297 CG2 THR A 21 5.071 0.842 8.889 1.00 2.96 C ATOM 0 H THR A 21 3.670 -1.858 6.734 1.00 1.05 H new ATOM 0 HA THR A 21 5.086 0.712 6.464 1.00 1.26 H new ATOM 0 HB THR A 21 6.244 -0.915 8.422 1.00 1.41 H new ATOM 0 HG1 THR A 21 4.705 -2.229 8.998 1.00 2.15 H new ATOM 0 HG21 THR A 21 5.168 0.725 9.968 1.00 2.96 H new ATOM 0 HG22 THR A 21 5.833 1.534 8.529 1.00 2.96 H new ATOM 0 HG23 THR A 21 4.082 1.237 8.655 1.00 2.96 H new ATOM 305 N LEU A 22 6.823 -0.229 4.914 1.00 1.70 N ATOM 306 CA LEU A 22 7.990 -0.709 4.157 1.00 1.99 C ATOM 307 C LEU A 22 9.268 -0.379 4.933 1.00 1.78 C ATOM 308 O LEU A 22 9.632 0.790 5.089 1.00 1.78 O ATOM 309 CB LEU A 22 8.020 -0.142 2.723 1.00 2.48 C ATOM 310 CG LEU A 22 8.644 -1.024 1.620 1.00 2.77 C ATOM 311 CD1 LEU A 22 9.994 -1.651 2.004 1.00 3.03 C ATOM 312 CD2 LEU A 22 7.662 -2.111 1.171 1.00 2.83 C ATOM 0 H LEU A 22 6.460 0.673 4.606 1.00 1.70 H new ATOM 0 HA LEU A 22 7.917 -1.791 4.048 1.00 1.99 H new ATOM 0 HB2 LEU A 22 6.995 0.087 2.431 1.00 2.48 H new ATOM 0 HB3 LEU A 22 8.564 0.802 2.746 1.00 2.48 H new ATOM 0 HG LEU A 22 8.850 -0.348 0.790 1.00 2.77 H new ATOM 0 HD11 LEU A 22 10.364 -2.255 1.175 1.00 3.03 H new ATOM 0 HD12 LEU A 22 10.712 -0.861 2.226 1.00 3.03 H new ATOM 0 HD13 LEU A 22 9.865 -2.282 2.883 1.00 3.03 H new ATOM 0 HD21 LEU A 22 8.124 -2.720 0.394 1.00 2.83 H new ATOM 0 HD22 LEU A 22 7.404 -2.742 2.021 1.00 2.83 H new ATOM 0 HD23 LEU A 22 6.758 -1.645 0.778 1.00 2.83 H new ATOM 324 N GLU A 23 9.950 -1.431 5.374 1.00 1.72 N ATOM 325 CA GLU A 23 11.248 -1.399 6.041 1.00 1.61 C ATOM 326 C GLU A 23 12.220 -2.265 5.232 1.00 1.48 C ATOM 327 O GLU A 23 11.933 -3.421 4.938 1.00 1.69 O ATOM 328 CB GLU A 23 11.091 -1.917 7.481 1.00 2.01 C ATOM 329 CG GLU A 23 12.382 -1.809 8.303 1.00 2.66 C ATOM 330 CD GLU A 23 12.157 -2.289 9.736 1.00 2.91 C ATOM 331 OE1 GLU A 23 11.930 -3.498 9.953 1.00 2.81 O ATOM 332 OE2 GLU A 23 12.239 -1.487 10.694 1.00 4.07 O ATOM 0 H GLU A 23 9.593 -2.381 5.270 1.00 1.72 H new ATOM 0 HA GLU A 23 11.641 -0.384 6.095 1.00 1.61 H new ATOM 0 HB2 GLU A 23 10.302 -1.354 7.979 1.00 2.01 H new ATOM 0 HB3 GLU A 23 10.771 -2.959 7.453 1.00 2.01 H new ATOM 0 HG2 GLU A 23 13.167 -2.403 7.835 1.00 2.66 H new ATOM 0 HG3 GLU A 23 12.727 -0.775 8.311 1.00 2.66 H new ATOM 339 N ASN A 24 13.356 -1.699 4.840 1.00 1.30 N ATOM 340 CA ASN A 24 14.389 -2.392 4.086 1.00 1.23 C ATOM 341 C ASN A 24 15.398 -3.020 5.064 1.00 1.28 C ATOM 342 O ASN A 24 16.058 -2.280 5.801 1.00 1.51 O ATOM 343 CB ASN A 24 15.041 -1.364 3.153 1.00 1.12 C ATOM 344 CG ASN A 24 16.020 -1.982 2.169 1.00 1.12 C ATOM 345 OD1 ASN A 24 16.498 -3.097 2.325 1.00 1.55 O ATOM 346 ND2 ASN A 24 16.374 -1.267 1.124 1.00 1.15 N ATOM 0 H ASN A 24 13.587 -0.726 5.042 1.00 1.30 H new ATOM 0 HA ASN A 24 13.981 -3.205 3.486 1.00 1.23 H new ATOM 0 HB2 ASN A 24 14.262 -0.840 2.599 1.00 1.12 H new ATOM 0 HB3 ASN A 24 15.562 -0.618 3.753 1.00 1.12 H new ATOM 0 HD21 ASN A 24 17.042 -1.643 0.451 1.00 1.15 H new ATOM 0 HD22 ASN A 24 15.980 -0.336 0.986 1.00 1.15 H new ATOM 353 N PRO A 25 15.575 -4.355 5.079 1.00 1.18 N ATOM 354 CA PRO A 25 16.549 -5.012 5.951 1.00 1.27 C ATOM 355 C PRO A 25 18.008 -4.780 5.538 1.00 1.42 C ATOM 356 O PRO A 25 18.908 -5.049 6.332 1.00 1.59 O ATOM 357 CB PRO A 25 16.176 -6.498 5.908 1.00 1.23 C ATOM 358 CG PRO A 25 15.555 -6.655 4.519 1.00 1.24 C ATOM 359 CD PRO A 25 14.809 -5.342 4.332 1.00 1.15 C ATOM 0 HA PRO A 25 16.502 -4.596 6.957 1.00 1.27 H new ATOM 0 HB2 PRO A 25 17.050 -7.138 6.034 1.00 1.23 H new ATOM 0 HB3 PRO A 25 15.472 -6.761 6.697 1.00 1.23 H new ATOM 0 HG2 PRO A 25 16.314 -6.802 3.751 1.00 1.24 H new ATOM 0 HG3 PRO A 25 14.883 -7.512 4.471 1.00 1.24 H new ATOM 0 HD2 PRO A 25 14.744 -5.073 3.278 1.00 1.15 H new ATOM 0 HD3 PRO A 25 13.788 -5.413 4.707 1.00 1.15 H new ATOM 367 N GLY A 26 18.244 -4.246 4.334 1.00 1.57 N ATOM 368 CA GLY A 26 19.528 -3.789 3.814 1.00 2.14 C ATOM 369 C GLY A 26 20.417 -4.925 3.324 1.00 1.27 C ATOM 370 O GLY A 26 20.886 -5.755 4.097 1.00 2.83 O ATOM 0 H GLY A 26 17.492 -4.115 3.657 1.00 1.57 H new ATOM 0 HA2 GLY A 26 19.353 -3.093 2.993 1.00 2.14 H new ATOM 0 HA3 GLY A 26 20.052 -3.237 4.594 1.00 2.14 H new ATOM 374 N ASP A 27 20.668 -4.882 2.023 1.00 1.57 N ATOM 375 CA ASP A 27 20.756 -6.032 1.115 1.00 3.59 C ATOM 376 C ASP A 27 20.964 -5.426 -0.287 1.00 3.50 C ATOM 377 O ASP A 27 21.868 -5.797 -1.030 1.00 4.56 O ATOM 378 CB ASP A 27 19.433 -6.823 1.280 1.00 5.59 C ATOM 379 CG ASP A 27 19.084 -7.847 0.197 1.00 7.16 C ATOM 380 OD1 ASP A 27 19.979 -8.398 -0.474 1.00 7.56 O ATOM 381 OD2 ASP A 27 17.870 -8.083 -0.017 1.00 8.58 O ATOM 0 H ASP A 27 20.825 -3.998 1.540 1.00 1.57 H new ATOM 0 HA ASP A 27 21.571 -6.730 1.308 1.00 3.59 H new ATOM 0 HB2 ASP A 27 19.469 -7.344 2.237 1.00 5.59 H new ATOM 0 HB3 ASP A 27 18.616 -6.104 1.339 1.00 5.59 H new ATOM 386 N LEU A 28 20.205 -4.356 -0.557 1.00 2.27 N ATOM 387 CA LEU A 28 20.259 -3.429 -1.665 1.00 1.74 C ATOM 388 C LEU A 28 19.408 -2.192 -1.312 1.00 1.07 C ATOM 389 O LEU A 28 18.757 -2.204 -0.260 1.00 1.07 O ATOM 390 CB LEU A 28 19.741 -4.179 -2.895 1.00 2.30 C ATOM 391 CG LEU A 28 18.235 -4.535 -2.938 1.00 3.39 C ATOM 392 CD1 LEU A 28 17.796 -4.747 -4.394 1.00 3.31 C ATOM 393 CD2 LEU A 28 17.895 -5.800 -2.146 1.00 4.54 C ATOM 0 H LEU A 28 19.452 -4.101 0.082 1.00 2.27 H new ATOM 0 HA LEU A 28 21.267 -3.071 -1.874 1.00 1.74 H new ATOM 0 HB2 LEU A 28 19.969 -3.578 -3.775 1.00 2.30 H new ATOM 0 HB3 LEU A 28 20.308 -5.106 -2.986 1.00 2.30 H new ATOM 0 HG LEU A 28 17.706 -3.699 -2.479 1.00 3.39 H new ATOM 0 HD11 LEU A 28 16.736 -4.997 -4.421 1.00 3.31 H new ATOM 0 HD12 LEU A 28 17.968 -3.833 -4.963 1.00 3.31 H new ATOM 0 HD13 LEU A 28 18.373 -5.561 -4.833 1.00 3.31 H new ATOM 0 HD21 LEU A 28 16.825 -5.996 -2.215 1.00 4.54 H new ATOM 0 HD22 LEU A 28 18.446 -6.646 -2.557 1.00 4.54 H new ATOM 0 HD23 LEU A 28 18.172 -5.660 -1.101 1.00 4.54 H new ATOM 405 N PRO A 29 19.321 -1.158 -2.167 1.00 0.88 N ATOM 406 CA PRO A 29 18.192 -0.251 -2.132 1.00 0.81 C ATOM 407 C PRO A 29 17.028 -0.949 -2.824 1.00 0.87 C ATOM 408 O PRO A 29 17.137 -1.467 -3.934 1.00 1.12 O ATOM 409 CB PRO A 29 18.643 1.010 -2.847 1.00 0.83 C ATOM 410 CG PRO A 29 19.679 0.496 -3.849 1.00 0.86 C ATOM 411 CD PRO A 29 20.111 -0.896 -3.356 1.00 0.94 C ATOM 0 HA PRO A 29 17.862 0.017 -1.128 1.00 0.81 H new ATOM 0 HB2 PRO A 29 17.812 1.508 -3.347 1.00 0.83 H new ATOM 0 HB3 PRO A 29 19.077 1.732 -2.155 1.00 0.83 H new ATOM 0 HG2 PRO A 29 19.254 0.438 -4.851 1.00 0.86 H new ATOM 0 HG3 PRO A 29 20.533 1.170 -3.904 1.00 0.86 H new ATOM 0 HD2 PRO A 29 19.932 -1.654 -4.119 1.00 0.94 H new ATOM 0 HD3 PRO A 29 21.177 -0.917 -3.130 1.00 0.94 H new ATOM 419 N LEU A 30 15.909 -0.989 -2.115 1.00 0.75 N ATOM 420 CA LEU A 30 14.707 -1.665 -2.579 1.00 0.71 C ATOM 421 C LEU A 30 13.877 -0.740 -3.437 1.00 0.61 C ATOM 422 O LEU A 30 13.734 0.453 -3.175 1.00 0.65 O ATOM 423 CB LEU A 30 13.839 -2.208 -1.433 1.00 0.78 C ATOM 424 CG LEU A 30 14.428 -3.471 -0.791 1.00 0.88 C ATOM 425 CD1 LEU A 30 13.679 -3.780 0.513 1.00 2.04 C ATOM 426 CD2 LEU A 30 14.366 -4.716 -1.687 1.00 1.29 C ATOM 0 H LEU A 30 15.809 -0.552 -1.199 1.00 0.75 H new ATOM 0 HA LEU A 30 15.047 -2.519 -3.165 1.00 0.71 H new ATOM 0 HB2 LEU A 30 13.727 -1.437 -0.671 1.00 0.78 H new ATOM 0 HB3 LEU A 30 12.841 -2.430 -1.812 1.00 0.78 H new ATOM 0 HG LEU A 30 15.481 -3.253 -0.615 1.00 0.88 H new ATOM 0 HD11 LEU A 30 14.097 -4.677 0.969 1.00 2.04 H new ATOM 0 HD12 LEU A 30 13.784 -2.941 1.201 1.00 2.04 H new ATOM 0 HD13 LEU A 30 12.623 -3.942 0.297 1.00 2.04 H new ATOM 0 HD21 LEU A 30 14.802 -5.565 -1.161 1.00 1.29 H new ATOM 0 HD22 LEU A 30 13.327 -4.936 -1.933 1.00 1.29 H new ATOM 0 HD23 LEU A 30 14.925 -4.532 -2.605 1.00 1.29 H new ATOM 438 N ARG A 31 13.257 -1.383 -4.412 1.00 0.54 N ATOM 439 CA ARG A 31 12.299 -0.775 -5.330 1.00 0.48 C ATOM 440 C ARG A 31 11.046 -1.635 -5.382 1.00 0.48 C ATOM 441 O ARG A 31 11.032 -2.688 -6.016 1.00 0.51 O ATOM 442 CB ARG A 31 12.940 -0.560 -6.707 1.00 0.47 C ATOM 443 CG ARG A 31 12.110 0.395 -7.579 1.00 0.51 C ATOM 444 CD ARG A 31 12.872 0.881 -8.830 1.00 0.59 C ATOM 445 NE ARG A 31 13.194 2.322 -8.773 1.00 1.57 N ATOM 446 CZ ARG A 31 14.145 2.915 -8.055 1.00 2.05 C ATOM 447 NH1 ARG A 31 15.005 2.245 -7.325 1.00 2.55 N ATOM 448 NH2 ARG A 31 14.231 4.223 -8.037 1.00 3.45 N ATOM 0 H ARG A 31 13.409 -2.375 -4.595 1.00 0.54 H new ATOM 0 HA ARG A 31 12.005 0.213 -4.975 1.00 0.48 H new ATOM 0 HB2 ARG A 31 13.945 -0.157 -6.581 1.00 0.47 H new ATOM 0 HB3 ARG A 31 13.042 -1.519 -7.214 1.00 0.47 H new ATOM 0 HG2 ARG A 31 11.194 -0.108 -7.890 1.00 0.51 H new ATOM 0 HG3 ARG A 31 11.813 1.258 -6.983 1.00 0.51 H new ATOM 0 HD2 ARG A 31 13.795 0.310 -8.934 1.00 0.59 H new ATOM 0 HD3 ARG A 31 12.272 0.681 -9.717 1.00 0.59 H new ATOM 0 HE ARG A 31 12.620 2.935 -9.352 1.00 1.57 H new ATOM 0 HH11 ARG A 31 14.961 1.226 -7.292 1.00 2.55 H new ATOM 0 HH12 ARG A 31 15.717 2.743 -6.791 1.00 2.55 H new ATOM 0 HH21 ARG A 31 13.570 4.785 -8.573 1.00 3.45 H new ATOM 0 HH22 ARG A 31 14.959 4.679 -7.487 1.00 3.45 H new ATOM 462 N LEU A 32 10.014 -1.208 -4.666 1.00 0.51 N ATOM 463 CA LEU A 32 8.704 -1.840 -4.642 1.00 0.49 C ATOM 464 C LEU A 32 7.975 -1.397 -5.907 1.00 0.46 C ATOM 465 O LEU A 32 7.616 -0.235 -6.027 1.00 0.46 O ATOM 466 CB LEU A 32 8.034 -1.411 -3.325 1.00 0.51 C ATOM 467 CG LEU A 32 6.601 -1.906 -3.048 1.00 0.59 C ATOM 468 CD1 LEU A 32 5.554 -1.199 -3.920 1.00 2.39 C ATOM 469 CD2 LEU A 32 6.499 -3.433 -3.159 1.00 2.36 C ATOM 0 H LEU A 32 10.069 -0.385 -4.066 1.00 0.51 H new ATOM 0 HA LEU A 32 8.718 -2.930 -4.653 1.00 0.49 H new ATOM 0 HB2 LEU A 32 8.668 -1.746 -2.504 1.00 0.51 H new ATOM 0 HB3 LEU A 32 8.023 -0.321 -3.295 1.00 0.51 H new ATOM 0 HG LEU A 32 6.373 -1.638 -2.016 1.00 0.59 H new ATOM 0 HD11 LEU A 32 4.563 -1.586 -3.684 1.00 2.39 H new ATOM 0 HD12 LEU A 32 5.581 -0.127 -3.724 1.00 2.39 H new ATOM 0 HD13 LEU A 32 5.773 -1.381 -4.972 1.00 2.39 H new ATOM 0 HD21 LEU A 32 5.474 -3.745 -2.957 1.00 2.36 H new ATOM 0 HD22 LEU A 32 6.782 -3.744 -4.165 1.00 2.36 H new ATOM 0 HD23 LEU A 32 7.169 -3.896 -2.434 1.00 2.36 H new ATOM 481 N VAL A 33 7.802 -2.309 -6.857 1.00 0.46 N ATOM 482 CA VAL A 33 7.219 -2.023 -8.185 1.00 0.47 C ATOM 483 C VAL A 33 5.767 -2.519 -8.285 1.00 0.46 C ATOM 484 O VAL A 33 5.007 -2.050 -9.130 1.00 0.50 O ATOM 485 CB VAL A 33 8.047 -2.666 -9.333 1.00 0.52 C ATOM 486 CG1 VAL A 33 9.469 -2.077 -9.408 1.00 0.50 C ATOM 487 CG2 VAL A 33 8.192 -4.198 -9.242 1.00 0.60 C ATOM 0 H VAL A 33 8.064 -3.287 -6.735 1.00 0.46 H new ATOM 0 HA VAL A 33 7.239 -0.939 -8.296 1.00 0.47 H new ATOM 0 HB VAL A 33 7.469 -2.430 -10.227 1.00 0.52 H new ATOM 0 HG11 VAL A 33 10.017 -2.551 -10.222 1.00 0.50 H new ATOM 0 HG12 VAL A 33 9.409 -1.004 -9.588 1.00 0.50 H new ATOM 0 HG13 VAL A 33 9.988 -2.259 -8.467 1.00 0.50 H new ATOM 0 HG21 VAL A 33 8.784 -4.558 -10.083 1.00 0.60 H new ATOM 0 HG22 VAL A 33 8.690 -4.462 -8.309 1.00 0.60 H new ATOM 0 HG23 VAL A 33 7.205 -4.659 -9.269 1.00 0.60 H new ATOM 497 N GLY A 34 5.391 -3.500 -7.450 1.00 0.43 N ATOM 498 CA GLY A 34 4.083 -4.150 -7.476 1.00 0.46 C ATOM 499 C GLY A 34 3.699 -4.835 -6.169 1.00 0.46 C ATOM 500 O GLY A 34 4.482 -4.872 -5.220 1.00 0.47 O ATOM 0 H GLY A 34 6.006 -3.867 -6.724 1.00 0.43 H new ATOM 0 HA2 GLY A 34 3.325 -3.406 -7.719 1.00 0.46 H new ATOM 0 HA3 GLY A 34 4.073 -4.889 -8.277 1.00 0.46 H new ATOM 504 N ALA A 35 2.520 -5.457 -6.159 1.00 0.50 N ATOM 505 CA ALA A 35 2.041 -6.280 -5.051 1.00 0.49 C ATOM 506 C ALA A 35 1.016 -7.340 -5.492 1.00 0.52 C ATOM 507 O ALA A 35 0.753 -7.528 -6.679 1.00 0.53 O ATOM 508 CB ALA A 35 1.530 -5.379 -3.919 1.00 0.48 C ATOM 0 H ALA A 35 1.860 -5.401 -6.935 1.00 0.50 H new ATOM 0 HA ALA A 35 2.881 -6.858 -4.666 1.00 0.49 H new ATOM 0 HB1 ALA A 35 1.174 -5.997 -3.095 1.00 0.48 H new ATOM 0 HB2 ALA A 35 2.340 -4.739 -3.569 1.00 0.48 H new ATOM 0 HB3 ALA A 35 0.712 -4.760 -4.288 1.00 0.48 H new ATOM 514 N ARG A 36 0.491 -8.075 -4.511 1.00 0.56 N ATOM 515 CA ARG A 36 -0.395 -9.227 -4.642 1.00 0.48 C ATOM 516 C ARG A 36 -1.168 -9.384 -3.331 1.00 0.56 C ATOM 517 O ARG A 36 -0.713 -8.882 -2.303 1.00 0.67 O ATOM 518 CB ARG A 36 0.511 -10.448 -4.818 1.00 0.63 C ATOM 519 CG ARG A 36 0.163 -11.468 -5.890 1.00 1.05 C ATOM 520 CD ARG A 36 1.275 -12.519 -5.773 1.00 1.90 C ATOM 521 NE ARG A 36 1.301 -13.466 -6.887 1.00 2.60 N ATOM 522 CZ ARG A 36 2.357 -14.220 -7.170 1.00 3.83 C ATOM 523 NH1 ARG A 36 3.440 -14.231 -6.410 1.00 4.61 N ATOM 524 NH2 ARG A 36 2.319 -14.983 -8.242 1.00 4.78 N ATOM 0 H ARG A 36 0.690 -7.863 -3.533 1.00 0.56 H new ATOM 0 HA ARG A 36 -1.090 -9.116 -5.475 1.00 0.48 H new ATOM 0 HB2 ARG A 36 1.518 -10.085 -5.022 1.00 0.63 H new ATOM 0 HB3 ARG A 36 0.548 -10.972 -3.863 1.00 0.63 H new ATOM 0 HG2 ARG A 36 -0.821 -11.906 -5.720 1.00 1.05 H new ATOM 0 HG3 ARG A 36 0.144 -11.015 -6.881 1.00 1.05 H new ATOM 0 HD2 ARG A 36 2.238 -12.012 -5.714 1.00 1.90 H new ATOM 0 HD3 ARG A 36 1.147 -13.070 -4.841 1.00 1.90 H new ATOM 0 HE ARG A 36 0.471 -13.551 -7.473 1.00 2.60 H new ATOM 0 HH11 ARG A 36 3.483 -13.647 -5.575 1.00 4.61 H new ATOM 0 HH12 ARG A 36 4.232 -14.823 -6.659 1.00 4.61 H new ATOM 0 HH21 ARG A 36 1.490 -14.987 -8.836 1.00 4.78 H new ATOM 0 HH22 ARG A 36 3.119 -15.570 -8.479 1.00 4.78 H new ATOM 538 N THR A 37 -2.234 -10.186 -3.309 1.00 0.53 N ATOM 539 CA THR A 37 -2.918 -10.630 -2.078 1.00 0.48 C ATOM 540 C THR A 37 -3.852 -11.788 -2.404 1.00 0.47 C ATOM 541 O THR A 37 -4.337 -11.841 -3.534 1.00 0.50 O ATOM 542 CB THR A 37 -3.629 -9.466 -1.364 1.00 0.53 C ATOM 543 OG1 THR A 37 -4.548 -9.933 -0.415 1.00 0.61 O ATOM 544 CG2 THR A 37 -4.386 -8.519 -2.287 1.00 0.53 C ATOM 0 H THR A 37 -2.660 -10.556 -4.159 1.00 0.53 H new ATOM 0 HA THR A 37 -2.174 -10.991 -1.368 1.00 0.48 H new ATOM 0 HB THR A 37 -2.812 -8.913 -0.900 1.00 0.53 H new ATOM 0 HG1 THR A 37 -4.130 -9.936 0.471 1.00 0.61 H new ATOM 0 HG21 THR A 37 -4.854 -7.732 -1.696 1.00 0.53 H new ATOM 0 HG22 THR A 37 -3.692 -8.074 -3.000 1.00 0.53 H new ATOM 0 HG23 THR A 37 -5.154 -9.073 -2.826 1.00 0.53 H new ATOM 552 N PRO A 38 -4.161 -12.678 -1.443 1.00 0.53 N ATOM 553 CA PRO A 38 -5.235 -13.650 -1.601 1.00 0.55 C ATOM 554 C PRO A 38 -6.622 -13.007 -1.696 1.00 0.54 C ATOM 555 O PRO A 38 -7.579 -13.717 -1.981 1.00 0.66 O ATOM 556 CB PRO A 38 -5.114 -14.566 -0.386 1.00 0.63 C ATOM 557 CG PRO A 38 -4.468 -13.702 0.691 1.00 0.66 C ATOM 558 CD PRO A 38 -3.547 -12.802 -0.124 1.00 0.63 C ATOM 0 HA PRO A 38 -5.136 -14.193 -2.541 1.00 0.55 H new ATOM 0 HB2 PRO A 38 -6.090 -14.931 -0.067 1.00 0.63 H new ATOM 0 HB3 PRO A 38 -4.504 -15.441 -0.610 1.00 0.63 H new ATOM 0 HG2 PRO A 38 -5.207 -13.128 1.250 1.00 0.66 H new ATOM 0 HG3 PRO A 38 -3.915 -14.300 1.415 1.00 0.66 H new ATOM 0 HD2 PRO A 38 -3.439 -11.826 0.348 1.00 0.63 H new ATOM 0 HD3 PRO A 38 -2.548 -13.232 -0.198 1.00 0.63 H new ATOM 566 N VAL A 39 -6.743 -11.693 -1.464 1.00 0.49 N ATOM 567 CA VAL A 39 -8.007 -10.939 -1.515 1.00 0.52 C ATOM 568 C VAL A 39 -7.919 -9.664 -2.380 1.00 0.51 C ATOM 569 O VAL A 39 -8.366 -8.597 -1.975 1.00 0.62 O ATOM 570 CB VAL A 39 -8.583 -10.678 -0.098 1.00 0.61 C ATOM 571 CG1 VAL A 39 -8.902 -12.007 0.613 1.00 0.76 C ATOM 572 CG2 VAL A 39 -7.658 -9.868 0.818 1.00 0.65 C ATOM 0 H VAL A 39 -5.942 -11.107 -1.229 1.00 0.49 H new ATOM 0 HA VAL A 39 -8.727 -11.577 -2.027 1.00 0.52 H new ATOM 0 HB VAL A 39 -9.484 -10.088 -0.269 1.00 0.61 H new ATOM 0 HG11 VAL A 39 -9.305 -11.802 1.605 1.00 0.76 H new ATOM 0 HG12 VAL A 39 -9.637 -12.564 0.031 1.00 0.76 H new ATOM 0 HG13 VAL A 39 -7.991 -12.597 0.707 1.00 0.76 H new ATOM 0 HG21 VAL A 39 -8.136 -9.731 1.788 1.00 0.65 H new ATOM 0 HG22 VAL A 39 -6.717 -10.402 0.949 1.00 0.65 H new ATOM 0 HG23 VAL A 39 -7.463 -8.894 0.369 1.00 0.65 H new ATOM 582 N ALA A 40 -7.410 -9.789 -3.614 1.00 0.49 N ATOM 583 CA ALA A 40 -7.615 -8.828 -4.715 1.00 0.49 C ATOM 584 C ALA A 40 -7.164 -9.444 -6.050 1.00 0.67 C ATOM 585 O ALA A 40 -6.012 -9.847 -6.187 1.00 1.35 O ATOM 586 CB ALA A 40 -6.859 -7.509 -4.473 1.00 0.56 C ATOM 0 H ALA A 40 -6.828 -10.582 -3.884 1.00 0.49 H new ATOM 0 HA ALA A 40 -8.681 -8.603 -4.756 1.00 0.49 H new ATOM 0 HB1 ALA A 40 -7.037 -6.830 -5.307 1.00 0.56 H new ATOM 0 HB2 ALA A 40 -7.213 -7.051 -3.550 1.00 0.56 H new ATOM 0 HB3 ALA A 40 -5.791 -7.711 -4.391 1.00 0.56 H new ATOM 592 N GLU A 41 -8.058 -9.502 -7.040 1.00 0.62 N ATOM 593 CA GLU A 41 -7.730 -9.937 -8.406 1.00 0.73 C ATOM 594 C GLU A 41 -6.839 -8.939 -9.174 1.00 0.66 C ATOM 595 O GLU A 41 -6.144 -9.310 -10.119 1.00 0.95 O ATOM 596 CB GLU A 41 -9.036 -10.172 -9.189 1.00 0.95 C ATOM 597 CG GLU A 41 -8.895 -11.284 -10.238 1.00 1.29 C ATOM 598 CD GLU A 41 -8.877 -12.643 -9.546 1.00 2.36 C ATOM 599 OE1 GLU A 41 -9.965 -13.173 -9.236 1.00 2.78 O ATOM 600 OE2 GLU A 41 -7.802 -13.106 -9.108 1.00 3.72 O ATOM 0 H GLU A 41 -9.038 -9.247 -6.918 1.00 0.62 H new ATOM 0 HA GLU A 41 -7.155 -10.859 -8.316 1.00 0.73 H new ATOM 0 HB2 GLU A 41 -9.833 -10.432 -8.492 1.00 0.95 H new ATOM 0 HB3 GLU A 41 -9.333 -9.246 -9.682 1.00 0.95 H new ATOM 0 HG2 GLU A 41 -9.722 -11.236 -10.946 1.00 1.29 H new ATOM 0 HG3 GLU A 41 -7.978 -11.144 -10.810 1.00 1.29 H new ATOM 607 N ARG A 42 -6.864 -7.656 -8.789 1.00 0.60 N ATOM 608 CA ARG A 42 -6.000 -6.605 -9.328 1.00 0.61 C ATOM 609 C ARG A 42 -5.567 -5.661 -8.206 1.00 0.51 C ATOM 610 O ARG A 42 -6.344 -5.342 -7.309 1.00 0.66 O ATOM 611 CB ARG A 42 -6.706 -5.825 -10.453 1.00 0.90 C ATOM 612 CG ARG A 42 -7.056 -6.727 -11.644 1.00 1.56 C ATOM 613 CD ARG A 42 -7.648 -5.959 -12.824 1.00 2.01 C ATOM 614 NE ARG A 42 -8.063 -6.916 -13.861 1.00 3.25 N ATOM 615 CZ ARG A 42 -8.640 -6.648 -15.028 1.00 4.27 C ATOM 616 NH1 ARG A 42 -8.842 -5.414 -15.440 1.00 4.45 N ATOM 617 NH2 ARG A 42 -9.025 -7.640 -15.806 1.00 5.58 N ATOM 0 H ARG A 42 -7.505 -7.314 -8.073 1.00 0.60 H new ATOM 0 HA ARG A 42 -5.115 -7.074 -9.758 1.00 0.61 H new ATOM 0 HB2 ARG A 42 -7.616 -5.370 -10.063 1.00 0.90 H new ATOM 0 HB3 ARG A 42 -6.063 -5.012 -10.790 1.00 0.90 H new ATOM 0 HG2 ARG A 42 -6.158 -7.250 -11.972 1.00 1.56 H new ATOM 0 HG3 ARG A 42 -7.767 -7.487 -11.320 1.00 1.56 H new ATOM 0 HD2 ARG A 42 -8.502 -5.366 -12.496 1.00 2.01 H new ATOM 0 HD3 ARG A 42 -6.912 -5.263 -13.227 1.00 2.01 H new ATOM 0 HE ARG A 42 -7.887 -7.901 -13.661 1.00 3.25 H new ATOM 0 HH11 ARG A 42 -8.553 -4.628 -14.858 1.00 4.45 H new ATOM 0 HH12 ARG A 42 -9.288 -5.244 -16.342 1.00 4.45 H new ATOM 0 HH21 ARG A 42 -8.879 -8.606 -15.511 1.00 5.58 H new ATOM 0 HH22 ARG A 42 -9.469 -7.442 -16.703 1.00 5.58 H new ATOM 631 N VAL A 43 -4.319 -5.217 -8.291 1.00 0.57 N ATOM 632 CA VAL A 43 -3.727 -4.172 -7.453 1.00 0.63 C ATOM 633 C VAL A 43 -3.208 -3.036 -8.349 1.00 0.87 C ATOM 634 O VAL A 43 -2.725 -3.298 -9.453 1.00 1.27 O ATOM 635 CB VAL A 43 -2.612 -4.752 -6.548 1.00 0.75 C ATOM 636 CG1 VAL A 43 -1.323 -5.099 -7.308 1.00 1.01 C ATOM 637 CG2 VAL A 43 -2.257 -3.839 -5.367 1.00 0.86 C ATOM 0 H VAL A 43 -3.660 -5.589 -8.975 1.00 0.57 H new ATOM 0 HA VAL A 43 -4.489 -3.765 -6.788 1.00 0.63 H new ATOM 0 HB VAL A 43 -3.047 -5.675 -6.164 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -0.587 -5.500 -6.611 1.00 1.01 H new ATOM 0 HG12 VAL A 43 -1.541 -5.844 -8.074 1.00 1.01 H new ATOM 0 HG13 VAL A 43 -0.925 -4.200 -7.779 1.00 1.01 H new ATOM 0 HG21 VAL A 43 -1.470 -4.303 -4.772 1.00 0.86 H new ATOM 0 HG22 VAL A 43 -1.909 -2.877 -5.743 1.00 0.86 H new ATOM 0 HG23 VAL A 43 -3.140 -3.688 -4.746 1.00 0.86 H new ATOM 647 N GLU A 44 -3.293 -1.801 -7.862 1.00 0.72 N ATOM 648 CA GLU A 44 -2.581 -0.624 -8.362 1.00 0.60 C ATOM 649 C GLU A 44 -1.610 -0.131 -7.288 1.00 0.48 C ATOM 650 O GLU A 44 -1.824 -0.352 -6.094 1.00 0.78 O ATOM 651 CB GLU A 44 -3.528 0.553 -8.641 1.00 0.89 C ATOM 652 CG GLU A 44 -4.654 0.283 -9.634 1.00 1.52 C ATOM 653 CD GLU A 44 -5.573 1.503 -9.661 1.00 2.54 C ATOM 654 OE1 GLU A 44 -6.518 1.548 -8.842 1.00 3.48 O ATOM 655 OE2 GLU A 44 -5.233 2.464 -10.388 1.00 3.33 O ATOM 0 H GLU A 44 -3.891 -1.581 -7.066 1.00 0.72 H new ATOM 0 HA GLU A 44 -2.082 -0.927 -9.282 1.00 0.60 H new ATOM 0 HB2 GLU A 44 -3.971 0.869 -7.697 1.00 0.89 H new ATOM 0 HB3 GLU A 44 -2.936 1.390 -9.012 1.00 0.89 H new ATOM 0 HG2 GLU A 44 -4.247 0.092 -10.627 1.00 1.52 H new ATOM 0 HG3 GLU A 44 -5.212 -0.607 -9.342 1.00 1.52 H new ATOM 662 N LEU A 45 -0.596 0.627 -7.703 1.00 0.56 N ATOM 663 CA LEU A 45 0.290 1.344 -6.785 1.00 0.62 C ATOM 664 C LEU A 45 0.085 2.854 -6.911 1.00 0.53 C ATOM 665 O LEU A 45 0.310 3.434 -7.975 1.00 0.53 O ATOM 666 CB LEU A 45 1.741 0.924 -7.058 1.00 0.96 C ATOM 667 CG LEU A 45 2.760 1.666 -6.172 1.00 0.49 C ATOM 668 CD1 LEU A 45 2.601 1.377 -4.674 1.00 0.83 C ATOM 669 CD2 LEU A 45 4.161 1.237 -6.600 1.00 1.06 C ATOM 0 H LEU A 45 -0.365 0.762 -8.687 1.00 0.56 H new ATOM 0 HA LEU A 45 0.051 1.084 -5.754 1.00 0.62 H new ATOM 0 HB2 LEU A 45 1.840 -0.149 -6.895 1.00 0.96 H new ATOM 0 HB3 LEU A 45 1.976 1.110 -8.106 1.00 0.96 H new ATOM 0 HG LEU A 45 2.588 2.734 -6.308 1.00 0.49 H new ATOM 0 HD11 LEU A 45 3.352 1.934 -4.114 1.00 0.83 H new ATOM 0 HD12 LEU A 45 1.606 1.681 -4.348 1.00 0.83 H new ATOM 0 HD13 LEU A 45 2.731 0.310 -4.493 1.00 0.83 H new ATOM 0 HD21 LEU A 45 4.902 1.750 -5.986 1.00 1.06 H new ATOM 0 HD22 LEU A 45 4.267 0.160 -6.472 1.00 1.06 H new ATOM 0 HD23 LEU A 45 4.316 1.495 -7.648 1.00 1.06 H new ATOM 681 N HIS A 46 -0.325 3.496 -5.817 1.00 0.52 N ATOM 682 CA HIS A 46 -0.691 4.912 -5.762 1.00 0.50 C ATOM 683 C HIS A 46 0.117 5.732 -4.737 1.00 0.51 C ATOM 684 O HIS A 46 0.682 5.220 -3.768 1.00 0.63 O ATOM 685 CB HIS A 46 -2.178 5.036 -5.381 1.00 0.51 C ATOM 686 CG HIS A 46 -3.229 4.602 -6.367 1.00 0.50 C ATOM 687 ND1 HIS A 46 -4.585 4.596 -6.081 1.00 0.51 N ATOM 688 CD2 HIS A 46 -3.068 4.140 -7.642 1.00 0.54 C ATOM 689 CE1 HIS A 46 -5.213 4.116 -7.155 1.00 0.57 C ATOM 690 NE2 HIS A 46 -4.330 3.865 -8.130 1.00 0.61 N ATOM 0 H HIS A 46 -0.415 3.029 -4.914 1.00 0.52 H new ATOM 0 HA HIS A 46 -0.475 5.314 -6.752 1.00 0.50 H new ATOM 0 HB2 HIS A 46 -2.331 4.464 -4.466 1.00 0.51 H new ATOM 0 HB3 HIS A 46 -2.368 6.082 -5.138 1.00 0.51 H new ATOM 0 HD1 HIS A 46 -5.021 4.902 -5.211 1.00 0.51 H new ATOM 0 HD2 HIS A 46 -2.133 4.014 -8.168 1.00 0.54 H new ATOM 0 HE1 HIS A 46 -6.278 3.953 -7.228 1.00 0.57 H new ATOM 0 HE2 HIS A 46 -4.551 3.530 -9.068 1.00 0.61 H new ATOM 698 N GLU A 47 0.050 7.048 -4.926 1.00 0.43 N ATOM 699 CA GLU A 47 0.326 8.072 -3.920 1.00 0.47 C ATOM 700 C GLU A 47 -0.897 8.925 -3.548 1.00 0.48 C ATOM 701 O GLU A 47 -2.010 8.703 -4.040 1.00 0.61 O ATOM 702 CB GLU A 47 1.527 8.916 -4.342 1.00 0.77 C ATOM 703 CG GLU A 47 1.302 10.078 -5.321 1.00 1.10 C ATOM 704 CD GLU A 47 2.270 11.213 -4.989 1.00 2.04 C ATOM 705 OE1 GLU A 47 3.484 10.927 -4.833 1.00 3.42 O ATOM 706 OE2 GLU A 47 1.757 12.341 -4.820 1.00 2.56 O ATOM 0 H GLU A 47 -0.210 7.449 -5.827 1.00 0.43 H new ATOM 0 HA GLU A 47 0.580 7.552 -2.996 1.00 0.47 H new ATOM 0 HB2 GLU A 47 1.976 9.327 -3.438 1.00 0.77 H new ATOM 0 HB3 GLU A 47 2.262 8.246 -4.787 1.00 0.77 H new ATOM 0 HG2 GLU A 47 1.457 9.740 -6.346 1.00 1.10 H new ATOM 0 HG3 GLU A 47 0.273 10.431 -5.254 1.00 1.10 H new ATOM 713 N THR A 48 -0.700 9.908 -2.661 1.00 0.57 N ATOM 714 CA THR A 48 -1.719 10.855 -2.172 1.00 0.54 C ATOM 715 C THR A 48 -1.024 12.135 -1.708 1.00 0.56 C ATOM 716 O THR A 48 0.050 12.059 -1.113 1.00 0.61 O ATOM 717 CB THR A 48 -2.565 10.219 -1.062 1.00 0.53 C ATOM 718 OG1 THR A 48 -3.343 9.227 -1.674 1.00 0.80 O ATOM 719 CG2 THR A 48 -3.518 11.162 -0.327 1.00 0.58 C ATOM 0 H THR A 48 0.215 10.076 -2.243 1.00 0.57 H new ATOM 0 HA THR A 48 -2.407 11.109 -2.978 1.00 0.54 H new ATOM 0 HB THR A 48 -1.868 9.859 -0.306 1.00 0.53 H new ATOM 0 HG1 THR A 48 -3.025 9.080 -2.589 1.00 0.80 H new ATOM 0 HG21 THR A 48 -4.064 10.606 0.435 1.00 0.58 H new ATOM 0 HG22 THR A 48 -2.947 11.960 0.146 1.00 0.58 H new ATOM 0 HG23 THR A 48 -4.223 11.593 -1.038 1.00 0.58 H new ATOM 727 N PHE A 49 -1.629 13.292 -1.971 1.00 0.66 N ATOM 728 CA PHE A 49 -0.989 14.610 -1.878 1.00 0.75 C ATOM 729 C PHE A 49 -1.971 15.723 -1.486 1.00 0.74 C ATOM 730 O PHE A 49 -3.187 15.535 -1.506 1.00 0.67 O ATOM 731 CB PHE A 49 -0.332 14.929 -3.232 1.00 0.83 C ATOM 732 CG PHE A 49 -1.260 14.831 -4.433 1.00 0.80 C ATOM 733 CD1 PHE A 49 -2.116 15.899 -4.766 1.00 1.78 C ATOM 734 CD2 PHE A 49 -1.272 13.673 -5.227 1.00 1.91 C ATOM 735 CE1 PHE A 49 -2.951 15.819 -5.892 1.00 1.72 C ATOM 736 CE2 PHE A 49 -2.085 13.599 -6.366 1.00 2.03 C ATOM 737 CZ PHE A 49 -2.919 14.678 -6.711 1.00 0.93 C ATOM 0 H PHE A 49 -2.605 13.344 -2.263 1.00 0.66 H new ATOM 0 HA PHE A 49 -0.242 14.570 -1.085 1.00 0.75 H new ATOM 0 HB2 PHE A 49 0.080 15.937 -3.191 1.00 0.83 H new ATOM 0 HB3 PHE A 49 0.506 14.248 -3.382 1.00 0.83 H new ATOM 0 HD1 PHE A 49 -2.130 16.786 -4.150 1.00 1.78 H new ATOM 0 HD2 PHE A 49 -0.650 12.832 -4.958 1.00 1.91 H new ATOM 0 HE1 PHE A 49 -3.618 16.635 -6.129 1.00 1.72 H new ATOM 0 HE2 PHE A 49 -2.071 12.711 -6.981 1.00 2.03 H new ATOM 0 HZ PHE A 49 -3.531 14.630 -7.600 1.00 0.93 H new ATOM 747 N MET A 50 -1.440 16.913 -1.188 1.00 0.85 N ATOM 748 CA MET A 50 -2.216 18.155 -1.046 1.00 0.83 C ATOM 749 C MET A 50 -2.205 18.951 -2.358 1.00 0.76 C ATOM 750 O MET A 50 -1.230 18.918 -3.104 1.00 0.74 O ATOM 751 CB MET A 50 -1.668 19.019 0.101 1.00 0.95 C ATOM 752 CG MET A 50 -1.850 18.362 1.474 1.00 2.17 C ATOM 753 SD MET A 50 -1.528 19.499 2.844 1.00 2.45 S ATOM 754 CE MET A 50 -1.210 18.304 4.160 1.00 4.25 C ATOM 0 H MET A 50 -0.440 17.045 -1.035 1.00 0.85 H new ATOM 0 HA MET A 50 -3.244 17.882 -0.809 1.00 0.83 H new ATOM 0 HB2 MET A 50 -0.608 19.211 -0.068 1.00 0.95 H new ATOM 0 HB3 MET A 50 -2.172 19.986 0.095 1.00 0.95 H new ATOM 0 HG2 MET A 50 -2.867 17.980 1.557 1.00 2.17 H new ATOM 0 HG3 MET A 50 -1.180 17.506 1.554 1.00 2.17 H new ATOM 0 HE1 MET A 50 -0.991 18.834 5.087 1.00 4.25 H new ATOM 0 HE2 MET A 50 -2.089 17.675 4.300 1.00 4.25 H new ATOM 0 HE3 MET A 50 -0.358 17.681 3.888 1.00 4.25 H new ATOM 764 N ARG A 51 -3.294 19.670 -2.645 1.00 0.79 N ATOM 765 CA ARG A 51 -3.504 20.408 -3.897 1.00 0.73 C ATOM 766 C ARG A 51 -4.502 21.555 -3.690 1.00 0.75 C ATOM 767 O ARG A 51 -5.350 21.499 -2.800 1.00 0.85 O ATOM 768 CB ARG A 51 -3.972 19.433 -5.003 1.00 0.89 C ATOM 769 CG ARG A 51 -3.207 19.582 -6.334 1.00 1.13 C ATOM 770 CD ARG A 51 -3.975 20.417 -7.358 1.00 1.67 C ATOM 771 NE ARG A 51 -3.166 20.667 -8.562 1.00 2.65 N ATOM 772 CZ ARG A 51 -3.254 21.724 -9.367 1.00 3.49 C ATOM 773 NH1 ARG A 51 -4.117 22.700 -9.158 1.00 3.89 N ATOM 774 NH2 ARG A 51 -2.458 21.818 -10.413 1.00 4.54 N ATOM 0 H ARG A 51 -4.076 19.758 -1.996 1.00 0.79 H new ATOM 0 HA ARG A 51 -2.562 20.856 -4.214 1.00 0.73 H new ATOM 0 HB2 ARG A 51 -3.859 18.410 -4.643 1.00 0.89 H new ATOM 0 HB3 ARG A 51 -5.035 19.591 -5.187 1.00 0.89 H new ATOM 0 HG2 ARG A 51 -2.239 20.046 -6.144 1.00 1.13 H new ATOM 0 HG3 ARG A 51 -3.010 18.594 -6.749 1.00 1.13 H new ATOM 0 HD2 ARG A 51 -4.894 19.900 -7.636 1.00 1.67 H new ATOM 0 HD3 ARG A 51 -4.267 21.367 -6.910 1.00 1.67 H new ATOM 0 HE ARG A 51 -2.470 19.962 -8.803 1.00 2.65 H new ATOM 0 HH11 ARG A 51 -4.747 22.661 -8.357 1.00 3.89 H new ATOM 0 HH12 ARG A 51 -4.154 23.494 -9.798 1.00 3.89 H new ATOM 0 HH21 ARG A 51 -1.777 21.083 -10.604 1.00 4.54 H new ATOM 0 HH22 ARG A 51 -2.522 22.626 -11.032 1.00 4.54 H new ATOM 788 N GLU A 52 -4.440 22.581 -4.530 1.00 0.83 N ATOM 789 CA GLU A 52 -5.427 23.636 -4.619 1.00 0.96 C ATOM 790 C GLU A 52 -6.293 23.437 -5.866 1.00 1.07 C ATOM 791 O GLU A 52 -5.753 23.159 -6.940 1.00 1.11 O ATOM 792 CB GLU A 52 -4.633 24.936 -4.750 1.00 1.14 C ATOM 793 CG GLU A 52 -5.516 26.167 -4.680 1.00 1.45 C ATOM 794 CD GLU A 52 -5.825 26.515 -3.235 1.00 1.58 C ATOM 795 OE1 GLU A 52 -6.484 25.694 -2.565 1.00 2.69 O ATOM 796 OE2 GLU A 52 -5.419 27.590 -2.758 1.00 2.09 O ATOM 0 H GLU A 52 -3.671 22.700 -5.189 1.00 0.83 H new ATOM 0 HA GLU A 52 -6.085 23.645 -3.750 1.00 0.96 H new ATOM 0 HB2 GLU A 52 -3.886 24.983 -3.957 1.00 1.14 H new ATOM 0 HB3 GLU A 52 -4.093 24.934 -5.697 1.00 1.14 H new ATOM 0 HG2 GLU A 52 -5.019 27.007 -5.165 1.00 1.45 H new ATOM 0 HG3 GLU A 52 -6.443 25.989 -5.224 1.00 1.45 H new ATOM 803 N VAL A 53 -7.602 23.636 -5.754 1.00 1.21 N ATOM 804 CA VAL A 53 -8.493 23.836 -6.905 1.00 1.36 C ATOM 805 C VAL A 53 -9.344 25.059 -6.592 1.00 1.43 C ATOM 806 O VAL A 53 -10.044 25.065 -5.587 1.00 1.74 O ATOM 807 CB VAL A 53 -9.373 22.590 -7.179 1.00 1.48 C ATOM 808 CG1 VAL A 53 -10.319 22.833 -8.367 1.00 1.91 C ATOM 809 CG2 VAL A 53 -8.507 21.353 -7.490 1.00 2.14 C ATOM 0 H VAL A 53 -8.085 23.664 -4.856 1.00 1.21 H new ATOM 0 HA VAL A 53 -7.911 23.989 -7.814 1.00 1.36 H new ATOM 0 HB VAL A 53 -9.956 22.409 -6.276 1.00 1.48 H new ATOM 0 HG11 VAL A 53 -10.925 21.943 -8.538 1.00 1.91 H new ATOM 0 HG12 VAL A 53 -10.970 23.679 -8.146 1.00 1.91 H new ATOM 0 HG13 VAL A 53 -9.733 23.050 -9.260 1.00 1.91 H new ATOM 0 HG21 VAL A 53 -9.152 20.495 -7.678 1.00 2.14 H new ATOM 0 HG22 VAL A 53 -7.897 21.548 -8.372 1.00 2.14 H new ATOM 0 HG23 VAL A 53 -7.858 21.140 -6.640 1.00 2.14 H new ATOM 819 N GLU A 54 -9.236 26.114 -7.409 1.00 1.50 N ATOM 820 CA GLU A 54 -10.058 27.333 -7.304 1.00 1.65 C ATOM 821 C GLU A 54 -9.851 28.099 -5.970 1.00 1.69 C ATOM 822 O GLU A 54 -10.790 28.646 -5.395 1.00 1.97 O ATOM 823 CB GLU A 54 -11.536 26.966 -7.538 1.00 1.87 C ATOM 824 CG GLU A 54 -12.370 28.132 -8.097 1.00 2.17 C ATOM 825 CD GLU A 54 -13.759 28.161 -7.473 1.00 2.61 C ATOM 826 OE1 GLU A 54 -14.343 27.077 -7.233 1.00 2.80 O ATOM 827 OE2 GLU A 54 -14.201 29.243 -7.034 1.00 3.55 O ATOM 0 H GLU A 54 -8.564 26.148 -8.176 1.00 1.50 H new ATOM 0 HA GLU A 54 -9.732 28.028 -8.078 1.00 1.65 H new ATOM 0 HB2 GLU A 54 -11.590 26.125 -8.230 1.00 1.87 H new ATOM 0 HB3 GLU A 54 -11.974 26.633 -6.597 1.00 1.87 H new ATOM 0 HG2 GLU A 54 -11.860 29.075 -7.901 1.00 2.17 H new ATOM 0 HG3 GLU A 54 -12.456 28.036 -9.179 1.00 2.17 H new ATOM 834 N GLY A 55 -8.631 28.073 -5.410 1.00 1.52 N ATOM 835 CA GLY A 55 -8.332 28.673 -4.096 1.00 1.59 C ATOM 836 C GLY A 55 -8.802 27.822 -2.908 1.00 1.51 C ATOM 837 O GLY A 55 -8.702 28.237 -1.750 1.00 1.62 O ATOM 0 H GLY A 55 -7.823 27.636 -5.854 1.00 1.52 H new ATOM 0 HA2 GLY A 55 -7.257 28.832 -4.015 1.00 1.59 H new ATOM 0 HA3 GLY A 55 -8.804 29.654 -4.038 1.00 1.59 H new ATOM 841 N LYS A 56 -9.309 26.616 -3.173 1.00 1.43 N ATOM 842 CA LYS A 56 -9.871 25.687 -2.207 1.00 1.44 C ATOM 843 C LYS A 56 -9.015 24.416 -2.137 1.00 1.31 C ATOM 844 O LYS A 56 -8.721 23.732 -3.123 1.00 1.20 O ATOM 845 CB LYS A 56 -11.351 25.424 -2.539 1.00 1.54 C ATOM 846 CG LYS A 56 -12.254 26.513 -1.931 1.00 1.90 C ATOM 847 CD LYS A 56 -13.552 26.729 -2.722 1.00 1.96 C ATOM 848 CE LYS A 56 -13.288 27.668 -3.904 1.00 2.22 C ATOM 849 NZ LYS A 56 -14.508 27.940 -4.696 1.00 2.70 N ATOM 0 H LYS A 56 -9.337 26.247 -4.123 1.00 1.43 H new ATOM 0 HA LYS A 56 -9.851 26.119 -1.206 1.00 1.44 H new ATOM 0 HB2 LYS A 56 -11.486 25.397 -3.620 1.00 1.54 H new ATOM 0 HB3 LYS A 56 -11.645 24.447 -2.156 1.00 1.54 H new ATOM 0 HG2 LYS A 56 -12.502 26.240 -0.905 1.00 1.90 H new ATOM 0 HG3 LYS A 56 -11.702 27.452 -1.887 1.00 1.90 H new ATOM 0 HD2 LYS A 56 -13.932 25.773 -3.083 1.00 1.96 H new ATOM 0 HD3 LYS A 56 -14.318 27.153 -2.073 1.00 1.96 H new ATOM 0 HE2 LYS A 56 -12.883 28.609 -3.532 1.00 2.22 H new ATOM 0 HE3 LYS A 56 -12.529 27.228 -4.551 1.00 2.22 H new ATOM 0 HZ1 LYS A 56 -14.394 28.836 -5.212 1.00 2.70 H new ATOM 0 HZ2 LYS A 56 -14.661 27.167 -5.374 1.00 2.70 H new ATOM 0 HZ3 LYS A 56 -15.327 28.009 -4.059 1.00 2.70 H new ATOM 863 N LYS A 57 -8.600 24.141 -0.903 1.00 1.34 N ATOM 864 CA LYS A 57 -7.781 23.013 -0.483 1.00 1.30 C ATOM 865 C LYS A 57 -8.467 21.693 -0.878 1.00 1.20 C ATOM 866 O LYS A 57 -9.627 21.466 -0.552 1.00 1.59 O ATOM 867 CB LYS A 57 -7.566 23.068 1.046 1.00 1.92 C ATOM 868 CG LYS A 57 -6.560 24.091 1.621 1.00 1.66 C ATOM 869 CD LYS A 57 -6.864 25.588 1.395 1.00 2.47 C ATOM 870 CE LYS A 57 -5.962 26.140 0.285 1.00 3.22 C ATOM 871 NZ LYS A 57 -6.398 27.452 -0.253 1.00 4.06 N ATOM 0 H LYS A 57 -8.846 24.744 -0.118 1.00 1.34 H new ATOM 0 HA LYS A 57 -6.812 23.066 -0.979 1.00 1.30 H new ATOM 0 HB2 LYS A 57 -8.534 23.261 1.508 1.00 1.92 H new ATOM 0 HB3 LYS A 57 -7.250 22.077 1.371 1.00 1.92 H new ATOM 0 HG2 LYS A 57 -6.483 23.921 2.695 1.00 1.66 H new ATOM 0 HG3 LYS A 57 -5.580 23.878 1.193 1.00 1.66 H new ATOM 0 HD2 LYS A 57 -7.912 25.719 1.123 1.00 2.47 H new ATOM 0 HD3 LYS A 57 -6.702 26.145 2.318 1.00 2.47 H new ATOM 0 HE2 LYS A 57 -4.947 26.237 0.671 1.00 3.22 H new ATOM 0 HE3 LYS A 57 -5.926 25.419 -0.531 1.00 3.22 H new ATOM 0 HZ1 LYS A 57 -5.801 27.710 -1.064 1.00 4.06 H new ATOM 0 HZ2 LYS A 57 -7.390 27.389 -0.559 1.00 4.06 H new ATOM 0 HZ3 LYS A 57 -6.309 28.177 0.487 1.00 4.06 H new ATOM 885 N VAL A 58 -7.716 20.835 -1.550 1.00 0.92 N ATOM 886 CA VAL A 58 -8.061 19.476 -1.976 1.00 0.99 C ATOM 887 C VAL A 58 -6.932 18.539 -1.529 1.00 0.79 C ATOM 888 O VAL A 58 -5.774 18.954 -1.434 1.00 0.91 O ATOM 889 CB VAL A 58 -8.255 19.439 -3.517 1.00 1.41 C ATOM 890 CG1 VAL A 58 -8.325 18.025 -4.121 1.00 2.97 C ATOM 891 CG2 VAL A 58 -9.535 20.197 -3.914 1.00 1.72 C ATOM 0 H VAL A 58 -6.770 21.086 -1.838 1.00 0.92 H new ATOM 0 HA VAL A 58 -8.998 19.152 -1.523 1.00 0.99 H new ATOM 0 HB VAL A 58 -7.363 19.917 -3.922 1.00 1.41 H new ATOM 0 HG11 VAL A 58 -8.461 18.097 -5.200 1.00 2.97 H new ATOM 0 HG12 VAL A 58 -7.399 17.492 -3.907 1.00 2.97 H new ATOM 0 HG13 VAL A 58 -9.165 17.484 -3.684 1.00 2.97 H new ATOM 0 HG21 VAL A 58 -9.657 20.162 -4.997 1.00 1.72 H new ATOM 0 HG22 VAL A 58 -10.397 19.731 -3.436 1.00 1.72 H new ATOM 0 HG23 VAL A 58 -9.458 21.235 -3.591 1.00 1.72 H new ATOM 901 N MET A 59 -7.255 17.273 -1.275 1.00 0.78 N ATOM 902 CA MET A 59 -6.272 16.184 -1.249 1.00 0.78 C ATOM 903 C MET A 59 -6.572 15.197 -2.376 1.00 0.89 C ATOM 904 O MET A 59 -7.722 14.809 -2.567 1.00 1.36 O ATOM 905 CB MET A 59 -6.228 15.497 0.120 1.00 0.87 C ATOM 906 CG MET A 59 -5.528 16.418 1.125 1.00 0.86 C ATOM 907 SD MET A 59 -5.357 15.739 2.793 1.00 2.00 S ATOM 908 CE MET A 59 -5.355 17.289 3.731 1.00 2.53 C ATOM 0 H MET A 59 -8.209 16.969 -1.080 1.00 0.78 H new ATOM 0 HA MET A 59 -5.279 16.602 -1.413 1.00 0.78 H new ATOM 0 HB2 MET A 59 -7.239 15.271 0.459 1.00 0.87 H new ATOM 0 HB3 MET A 59 -5.696 14.548 0.047 1.00 0.87 H new ATOM 0 HG2 MET A 59 -4.536 16.660 0.744 1.00 0.86 H new ATOM 0 HG3 MET A 59 -6.083 17.354 1.185 1.00 0.86 H new ATOM 0 HE1 MET A 59 -5.256 17.071 4.794 1.00 2.53 H new ATOM 0 HE2 MET A 59 -4.518 17.908 3.409 1.00 2.53 H new ATOM 0 HE3 MET A 59 -6.289 17.822 3.555 1.00 2.53 H new ATOM 918 N GLY A 60 -5.549 14.865 -3.164 1.00 0.63 N ATOM 919 CA GLY A 60 -5.674 14.068 -4.388 1.00 0.62 C ATOM 920 C GLY A 60 -4.821 12.808 -4.359 1.00 0.60 C ATOM 921 O GLY A 60 -4.070 12.580 -3.422 1.00 0.66 O ATOM 0 H GLY A 60 -4.589 15.148 -2.966 1.00 0.63 H new ATOM 0 HA2 GLY A 60 -6.719 13.791 -4.531 1.00 0.62 H new ATOM 0 HA3 GLY A 60 -5.385 14.677 -5.244 1.00 0.62 H new ATOM 925 N MET A 61 -4.949 11.984 -5.401 1.00 0.59 N ATOM 926 CA MET A 61 -4.352 10.647 -5.509 1.00 0.55 C ATOM 927 C MET A 61 -4.103 10.283 -6.975 1.00 0.56 C ATOM 928 O MET A 61 -4.930 10.548 -7.858 1.00 0.60 O ATOM 929 CB MET A 61 -5.289 9.653 -4.793 1.00 0.59 C ATOM 930 CG MET A 61 -5.131 8.161 -5.144 1.00 0.56 C ATOM 931 SD MET A 61 -6.466 7.038 -4.599 1.00 0.52 S ATOM 932 CE MET A 61 -7.025 7.830 -3.071 1.00 0.69 C ATOM 0 H MET A 61 -5.492 12.238 -6.226 1.00 0.59 H new ATOM 0 HA MET A 61 -3.375 10.614 -5.027 1.00 0.55 H new ATOM 0 HB2 MET A 61 -5.143 9.765 -3.719 1.00 0.59 H new ATOM 0 HB3 MET A 61 -6.317 9.944 -5.007 1.00 0.59 H new ATOM 0 HG2 MET A 61 -5.036 8.075 -6.226 1.00 0.56 H new ATOM 0 HG3 MET A 61 -4.194 7.808 -4.713 1.00 0.56 H new ATOM 0 HE1 MET A 61 -7.708 7.163 -2.544 1.00 0.69 H new ATOM 0 HE2 MET A 61 -6.165 8.044 -2.436 1.00 0.69 H new ATOM 0 HE3 MET A 61 -7.539 8.761 -3.311 1.00 0.69 H new ATOM 942 N ARG A 62 -2.952 9.662 -7.232 1.00 0.60 N ATOM 943 CA ARG A 62 -2.466 9.270 -8.561 1.00 0.66 C ATOM 944 C ARG A 62 -1.666 7.959 -8.490 1.00 0.63 C ATOM 945 O ARG A 62 -1.077 7.689 -7.441 1.00 0.64 O ATOM 946 CB ARG A 62 -1.567 10.394 -9.113 1.00 0.78 C ATOM 947 CG ARG A 62 -2.305 11.662 -9.570 1.00 1.16 C ATOM 948 CD ARG A 62 -3.072 11.511 -10.892 1.00 2.26 C ATOM 949 NE ARG A 62 -4.363 10.835 -10.684 1.00 4.31 N ATOM 950 CZ ARG A 62 -5.179 10.350 -11.613 1.00 6.11 C ATOM 951 NH1 ARG A 62 -4.931 10.471 -12.904 1.00 6.27 N ATOM 952 NH2 ARG A 62 -6.269 9.723 -11.232 1.00 7.92 N ATOM 0 H ARG A 62 -2.302 9.406 -6.489 1.00 0.60 H new ATOM 0 HA ARG A 62 -3.321 9.111 -9.218 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -0.846 10.671 -8.344 1.00 0.78 H new ATOM 0 HB3 ARG A 62 -0.999 10.001 -9.956 1.00 0.78 H new ATOM 0 HG2 ARG A 62 -3.006 11.960 -8.790 1.00 1.16 H new ATOM 0 HG3 ARG A 62 -1.581 12.470 -9.675 1.00 1.16 H new ATOM 0 HD2 ARG A 62 -3.240 12.494 -11.332 1.00 2.26 H new ATOM 0 HD3 ARG A 62 -2.471 10.942 -11.601 1.00 2.26 H new ATOM 0 HE ARG A 62 -4.665 10.727 -9.716 1.00 4.31 H new ATOM 0 HH11 ARG A 62 -4.088 10.951 -13.219 1.00 6.27 H new ATOM 0 HH12 ARG A 62 -5.583 10.085 -13.587 1.00 6.27 H new ATOM 0 HH21 ARG A 62 -6.475 9.616 -10.239 1.00 7.92 H new ATOM 0 HH22 ARG A 62 -6.909 9.343 -11.929 1.00 7.92 H new ATOM 966 N PRO A 63 -1.643 7.152 -9.569 1.00 0.63 N ATOM 967 CA PRO A 63 -0.792 5.979 -9.646 1.00 0.61 C ATOM 968 C PRO A 63 0.669 6.385 -9.833 1.00 0.61 C ATOM 969 O PRO A 63 0.946 7.432 -10.418 1.00 0.64 O ATOM 970 CB PRO A 63 -1.323 5.155 -10.816 1.00 0.65 C ATOM 971 CG PRO A 63 -1.854 6.230 -11.763 1.00 0.69 C ATOM 972 CD PRO A 63 -2.398 7.298 -10.807 1.00 0.67 C ATOM 0 HA PRO A 63 -0.816 5.392 -8.728 1.00 0.61 H new ATOM 0 HB2 PRO A 63 -0.539 4.557 -11.280 1.00 0.65 H new ATOM 0 HB3 PRO A 63 -2.107 4.466 -10.504 1.00 0.65 H new ATOM 0 HG2 PRO A 63 -1.067 6.626 -12.404 1.00 0.69 H new ATOM 0 HG3 PRO A 63 -2.633 5.841 -12.418 1.00 0.69 H new ATOM 0 HD2 PRO A 63 -2.272 8.297 -11.225 1.00 0.67 H new ATOM 0 HD3 PRO A 63 -3.465 7.158 -10.632 1.00 0.67 H new ATOM 980 N VAL A 64 1.581 5.547 -9.334 1.00 0.59 N ATOM 981 CA VAL A 64 3.038 5.785 -9.340 1.00 0.61 C ATOM 982 C VAL A 64 3.781 4.500 -9.746 1.00 0.63 C ATOM 983 O VAL A 64 3.273 3.411 -9.474 1.00 0.67 O ATOM 984 CB VAL A 64 3.542 6.343 -7.982 1.00 0.56 C ATOM 985 CG1 VAL A 64 2.905 7.706 -7.674 1.00 0.60 C ATOM 986 CG2 VAL A 64 3.324 5.395 -6.793 1.00 0.68 C ATOM 0 H VAL A 64 1.326 4.659 -8.902 1.00 0.59 H new ATOM 0 HA VAL A 64 3.254 6.553 -10.082 1.00 0.61 H new ATOM 0 HB VAL A 64 4.620 6.452 -8.104 1.00 0.56 H new ATOM 0 HG11 VAL A 64 3.276 8.073 -6.717 1.00 0.60 H new ATOM 0 HG12 VAL A 64 3.165 8.415 -8.460 1.00 0.60 H new ATOM 0 HG13 VAL A 64 1.821 7.599 -7.626 1.00 0.60 H new ATOM 0 HG21 VAL A 64 3.703 5.860 -5.883 1.00 0.68 H new ATOM 0 HG22 VAL A 64 2.259 5.192 -6.680 1.00 0.68 H new ATOM 0 HG23 VAL A 64 3.855 4.460 -6.971 1.00 0.68 H new ATOM 996 N PRO A 65 4.944 4.591 -10.431 1.00 0.63 N ATOM 997 CA PRO A 65 5.570 3.467 -11.138 1.00 0.64 C ATOM 998 C PRO A 65 6.284 2.487 -10.206 1.00 0.59 C ATOM 999 O PRO A 65 6.526 1.347 -10.590 1.00 0.68 O ATOM 1000 CB PRO A 65 6.547 4.117 -12.122 1.00 0.72 C ATOM 1001 CG PRO A 65 6.987 5.384 -11.391 1.00 0.72 C ATOM 1002 CD PRO A 65 5.723 5.805 -10.644 1.00 0.67 C ATOM 0 HA PRO A 65 4.816 2.857 -11.636 1.00 0.64 H new ATOM 0 HB2 PRO A 65 7.392 3.464 -12.341 1.00 0.72 H new ATOM 0 HB3 PRO A 65 6.067 4.347 -13.073 1.00 0.72 H new ATOM 0 HG2 PRO A 65 7.814 5.189 -10.708 1.00 0.72 H new ATOM 0 HG3 PRO A 65 7.322 6.155 -12.085 1.00 0.72 H new ATOM 0 HD2 PRO A 65 5.973 6.277 -9.694 1.00 0.67 H new ATOM 0 HD3 PRO A 65 5.155 6.534 -11.222 1.00 0.67 H new ATOM 1010 N PHE A 66 6.611 2.942 -8.995 1.00 0.50 N ATOM 1011 CA PHE A 66 7.260 2.203 -7.917 1.00 0.45 C ATOM 1012 C PHE A 66 7.379 3.102 -6.681 1.00 0.44 C ATOM 1013 O PHE A 66 7.235 4.323 -6.774 1.00 0.49 O ATOM 1014 CB PHE A 66 8.643 1.674 -8.348 1.00 0.54 C ATOM 1015 CG PHE A 66 9.590 2.758 -8.796 1.00 0.57 C ATOM 1016 CD1 PHE A 66 10.316 3.492 -7.843 1.00 2.14 C ATOM 1017 CD2 PHE A 66 9.672 3.089 -10.156 1.00 1.56 C ATOM 1018 CE1 PHE A 66 11.073 4.606 -8.235 1.00 2.17 C ATOM 1019 CE2 PHE A 66 10.476 4.170 -10.561 1.00 1.56 C ATOM 1020 CZ PHE A 66 11.162 4.939 -9.600 1.00 0.66 C ATOM 0 H PHE A 66 6.414 3.906 -8.725 1.00 0.50 H new ATOM 0 HA PHE A 66 6.647 1.336 -7.672 1.00 0.45 H new ATOM 0 HB2 PHE A 66 9.091 1.133 -7.515 1.00 0.54 H new ATOM 0 HB3 PHE A 66 8.512 0.959 -9.160 1.00 0.54 H new ATOM 0 HD1 PHE A 66 10.291 3.197 -6.804 1.00 2.14 H new ATOM 0 HD2 PHE A 66 9.121 2.517 -10.888 1.00 1.56 H new ATOM 0 HE1 PHE A 66 11.584 5.204 -7.495 1.00 2.17 H new ATOM 0 HE2 PHE A 66 10.568 4.411 -11.610 1.00 1.56 H new ATOM 0 HZ PHE A 66 11.757 5.785 -9.911 1.00 0.66 H new ATOM 1030 N LEU A 67 7.732 2.503 -5.545 1.00 0.45 N ATOM 1031 CA LEU A 67 8.312 3.183 -4.385 1.00 0.52 C ATOM 1032 C LEU A 67 9.768 2.740 -4.223 1.00 0.57 C ATOM 1033 O LEU A 67 10.125 1.627 -4.615 1.00 0.57 O ATOM 1034 CB LEU A 67 7.537 2.853 -3.101 1.00 0.54 C ATOM 1035 CG LEU A 67 6.009 3.010 -3.169 1.00 0.51 C ATOM 1036 CD1 LEU A 67 5.466 2.787 -1.758 1.00 0.59 C ATOM 1037 CD2 LEU A 67 5.541 4.378 -3.673 1.00 0.54 C ATOM 0 H LEU A 67 7.619 1.500 -5.401 1.00 0.45 H new ATOM 0 HA LEU A 67 8.256 4.259 -4.551 1.00 0.52 H new ATOM 0 HB2 LEU A 67 7.763 1.825 -2.819 1.00 0.54 H new ATOM 0 HB3 LEU A 67 7.911 3.492 -2.301 1.00 0.54 H new ATOM 0 HG LEU A 67 5.634 2.282 -3.889 1.00 0.51 H new ATOM 0 HD11 LEU A 67 4.381 2.891 -1.765 1.00 0.59 H new ATOM 0 HD12 LEU A 67 5.733 1.786 -1.419 1.00 0.59 H new ATOM 0 HD13 LEU A 67 5.896 3.525 -1.082 1.00 0.59 H new ATOM 0 HD21 LEU A 67 4.452 4.406 -3.691 1.00 0.54 H new ATOM 0 HD22 LEU A 67 5.913 5.157 -3.008 1.00 0.54 H new ATOM 0 HD23 LEU A 67 5.925 4.546 -4.679 1.00 0.54 H new ATOM 1049 N GLU A 68 10.594 3.588 -3.621 1.00 0.64 N ATOM 1050 CA GLU A 68 12.002 3.295 -3.346 1.00 0.69 C ATOM 1051 C GLU A 68 12.296 3.461 -1.858 1.00 0.74 C ATOM 1052 O GLU A 68 11.774 4.380 -1.230 1.00 0.78 O ATOM 1053 CB GLU A 68 12.930 4.177 -4.199 1.00 0.76 C ATOM 1054 CG GLU A 68 14.412 4.023 -3.803 1.00 0.90 C ATOM 1055 CD GLU A 68 15.349 4.354 -4.967 1.00 1.31 C ATOM 1056 OE1 GLU A 68 15.090 5.324 -5.712 1.00 2.57 O ATOM 1057 OE2 GLU A 68 16.231 3.514 -5.248 1.00 1.82 O ATOM 0 H GLU A 68 10.303 4.513 -3.304 1.00 0.64 H new ATOM 0 HA GLU A 68 12.197 2.258 -3.620 1.00 0.69 H new ATOM 0 HB2 GLU A 68 12.809 3.917 -5.251 1.00 0.76 H new ATOM 0 HB3 GLU A 68 12.634 5.221 -4.092 1.00 0.76 H new ATOM 0 HG2 GLU A 68 14.633 4.679 -2.961 1.00 0.90 H new ATOM 0 HG3 GLU A 68 14.595 3.002 -3.469 1.00 0.90 H new ATOM 1064 N VAL A 69 13.144 2.578 -1.315 1.00 0.79 N ATOM 1065 CA VAL A 69 13.625 2.657 0.071 1.00 0.85 C ATOM 1066 C VAL A 69 15.112 2.261 0.173 1.00 0.87 C ATOM 1067 O VAL A 69 15.470 1.191 -0.320 1.00 0.92 O ATOM 1068 CB VAL A 69 12.788 1.745 1.012 1.00 0.88 C ATOM 1069 CG1 VAL A 69 13.137 1.976 2.494 1.00 1.01 C ATOM 1070 CG2 VAL A 69 11.267 1.910 0.848 1.00 0.88 C ATOM 0 H VAL A 69 13.519 1.781 -1.830 1.00 0.79 H new ATOM 0 HA VAL A 69 13.511 3.694 0.386 1.00 0.85 H new ATOM 0 HB VAL A 69 13.056 0.732 0.711 1.00 0.88 H new ATOM 0 HG11 VAL A 69 12.530 1.319 3.117 1.00 1.01 H new ATOM 0 HG12 VAL A 69 14.192 1.758 2.658 1.00 1.01 H new ATOM 0 HG13 VAL A 69 12.936 3.014 2.758 1.00 1.01 H new ATOM 0 HG21 VAL A 69 10.752 1.241 1.538 1.00 0.88 H new ATOM 0 HG22 VAL A 69 10.987 2.941 1.065 1.00 0.88 H new ATOM 0 HG23 VAL A 69 10.983 1.665 -0.175 1.00 0.88 H new ATOM 1080 N PRO A 70 15.987 3.059 0.825 1.00 0.87 N ATOM 1081 CA PRO A 70 17.411 2.746 0.991 1.00 0.91 C ATOM 1082 C PRO A 70 17.643 1.629 2.030 1.00 0.98 C ATOM 1083 O PRO A 70 16.779 1.412 2.877 1.00 1.07 O ATOM 1084 CB PRO A 70 18.058 4.064 1.435 1.00 0.91 C ATOM 1085 CG PRO A 70 16.935 4.758 2.204 1.00 0.90 C ATOM 1086 CD PRO A 70 15.688 4.356 1.423 1.00 0.88 C ATOM 0 HA PRO A 70 17.845 2.366 0.066 1.00 0.91 H new ATOM 0 HB2 PRO A 70 18.932 3.893 2.064 1.00 0.91 H new ATOM 0 HB3 PRO A 70 18.390 4.657 0.583 1.00 0.91 H new ATOM 0 HG2 PRO A 70 16.888 4.423 3.240 1.00 0.90 H new ATOM 0 HG3 PRO A 70 17.068 5.840 2.224 1.00 0.90 H new ATOM 0 HD2 PRO A 70 14.820 4.292 2.080 1.00 0.88 H new ATOM 0 HD3 PRO A 70 15.453 5.094 0.656 1.00 0.88 H new ATOM 1094 N PRO A 71 18.794 0.919 1.996 1.00 1.01 N ATOM 1095 CA PRO A 71 19.083 -0.199 2.899 1.00 1.07 C ATOM 1096 C PRO A 71 19.083 0.227 4.370 1.00 1.07 C ATOM 1097 O PRO A 71 19.594 1.294 4.700 1.00 1.05 O ATOM 1098 CB PRO A 71 20.427 -0.782 2.444 1.00 1.17 C ATOM 1099 CG PRO A 71 21.068 0.301 1.584 1.00 1.15 C ATOM 1100 CD PRO A 71 19.888 1.112 1.056 1.00 1.04 C ATOM 0 HA PRO A 71 18.303 -0.958 2.844 1.00 1.07 H new ATOM 0 HB2 PRO A 71 21.057 -1.030 3.298 1.00 1.17 H new ATOM 0 HB3 PRO A 71 20.284 -1.701 1.876 1.00 1.17 H new ATOM 0 HG2 PRO A 71 21.748 0.922 2.168 1.00 1.15 H new ATOM 0 HG3 PRO A 71 21.650 -0.130 0.770 1.00 1.15 H new ATOM 0 HD2 PRO A 71 20.148 2.167 0.977 1.00 1.04 H new ATOM 0 HD3 PRO A 71 19.604 0.778 0.058 1.00 1.04 H new ATOM 1108 N LYS A 72 18.490 -0.601 5.248 1.00 1.17 N ATOM 1109 CA LYS A 72 18.309 -0.384 6.697 1.00 1.24 C ATOM 1110 C LYS A 72 17.218 0.658 7.053 1.00 1.26 C ATOM 1111 O LYS A 72 16.821 0.743 8.216 1.00 1.43 O ATOM 1112 CB LYS A 72 19.648 -0.065 7.400 1.00 1.35 C ATOM 1113 CG LYS A 72 20.865 -0.926 7.009 1.00 1.41 C ATOM 1114 CD LYS A 72 20.683 -2.431 7.248 1.00 1.53 C ATOM 1115 CE LYS A 72 21.868 -3.215 6.657 1.00 1.49 C ATOM 1116 NZ LYS A 72 21.629 -4.683 6.641 1.00 2.14 N ATOM 0 H LYS A 72 18.100 -1.494 4.948 1.00 1.17 H new ATOM 0 HA LYS A 72 17.939 -1.334 7.083 1.00 1.24 H new ATOM 0 HB2 LYS A 72 19.894 0.979 7.203 1.00 1.35 H new ATOM 0 HB3 LYS A 72 19.497 -0.160 8.475 1.00 1.35 H new ATOM 0 HG2 LYS A 72 21.086 -0.763 5.954 1.00 1.41 H new ATOM 0 HG3 LYS A 72 21.733 -0.584 7.573 1.00 1.41 H new ATOM 0 HD2 LYS A 72 20.605 -2.629 8.317 1.00 1.53 H new ATOM 0 HD3 LYS A 72 19.752 -2.768 6.792 1.00 1.53 H new ATOM 0 HE2 LYS A 72 22.057 -2.870 5.640 1.00 1.49 H new ATOM 0 HE3 LYS A 72 22.766 -3.003 7.238 1.00 1.49 H new ATOM 0 HZ1 LYS A 72 22.198 -5.135 7.385 1.00 2.14 H new ATOM 0 HZ2 LYS A 72 20.621 -4.872 6.812 1.00 2.14 H new ATOM 0 HZ3 LYS A 72 21.901 -5.069 5.714 1.00 2.14 H new ATOM 1130 N GLY A 73 16.739 1.446 6.080 1.00 1.19 N ATOM 1131 CA GLY A 73 15.750 2.527 6.257 1.00 1.29 C ATOM 1132 C GLY A 73 14.285 2.090 6.114 1.00 1.32 C ATOM 1133 O GLY A 73 13.996 0.927 5.840 1.00 1.30 O ATOM 0 H GLY A 73 17.039 1.347 5.110 1.00 1.19 H new ATOM 0 HA2 GLY A 73 15.888 2.968 7.244 1.00 1.29 H new ATOM 0 HA3 GLY A 73 15.954 3.310 5.526 1.00 1.29 H new ATOM 1137 N ARG A 74 13.361 3.050 6.284 1.00 1.58 N ATOM 1138 CA ARG A 74 11.908 2.882 6.106 1.00 1.75 C ATOM 1139 C ARG A 74 11.323 3.918 5.140 1.00 2.06 C ATOM 1140 O ARG A 74 11.859 5.018 5.033 1.00 2.41 O ATOM 1141 CB ARG A 74 11.158 3.055 7.442 1.00 2.24 C ATOM 1142 CG ARG A 74 11.323 1.869 8.393 1.00 1.64 C ATOM 1143 CD ARG A 74 10.417 1.994 9.594 1.00 1.71 C ATOM 1144 NE ARG A 74 10.541 0.837 10.493 1.00 2.25 N ATOM 1145 CZ ARG A 74 9.640 0.369 11.342 1.00 3.00 C ATOM 1146 NH1 ARG A 74 8.449 0.891 11.528 1.00 3.44 N ATOM 1147 NH2 ARG A 74 9.940 -0.690 12.039 1.00 3.96 N ATOM 0 H ARG A 74 13.614 3.999 6.559 1.00 1.58 H new ATOM 0 HA ARG A 74 11.776 1.876 5.708 1.00 1.75 H new ATOM 0 HB2 ARG A 74 11.515 3.959 7.936 1.00 2.24 H new ATOM 0 HB3 ARG A 74 10.097 3.202 7.238 1.00 2.24 H new ATOM 0 HG2 ARG A 74 11.101 0.943 7.863 1.00 1.64 H new ATOM 0 HG3 ARG A 74 12.360 1.807 8.723 1.00 1.64 H new ATOM 0 HD2 ARG A 74 10.660 2.906 10.139 1.00 1.71 H new ATOM 0 HD3 ARG A 74 9.383 2.087 9.262 1.00 1.71 H new ATOM 0 HE ARG A 74 11.428 0.335 10.458 1.00 2.25 H new ATOM 0 HH11 ARG A 74 8.165 1.715 10.998 1.00 3.44 H new ATOM 0 HH12 ARG A 74 7.808 0.472 12.202 1.00 3.44 H new ATOM 0 HH21 ARG A 74 10.850 -1.136 11.923 1.00 3.96 H new ATOM 0 HH22 ARG A 74 9.265 -1.073 12.701 1.00 3.96 H new ATOM 1161 N VAL A 75 10.180 3.572 4.538 1.00 2.16 N ATOM 1162 CA VAL A 75 9.165 4.509 4.020 1.00 2.63 C ATOM 1163 C VAL A 75 7.797 3.828 4.137 1.00 2.16 C ATOM 1164 O VAL A 75 7.556 2.813 3.490 1.00 2.24 O ATOM 1165 CB VAL A 75 9.380 4.931 2.539 1.00 3.47 C ATOM 1166 CG1 VAL A 75 8.292 5.928 2.091 1.00 4.02 C ATOM 1167 CG2 VAL A 75 10.743 5.584 2.256 1.00 4.04 C ATOM 0 H VAL A 75 9.922 2.596 4.390 1.00 2.16 H new ATOM 0 HA VAL A 75 9.240 5.421 4.612 1.00 2.63 H new ATOM 0 HB VAL A 75 9.330 3.996 1.980 1.00 3.47 H new ATOM 0 HG11 VAL A 75 8.462 6.210 1.052 1.00 4.02 H new ATOM 0 HG12 VAL A 75 7.311 5.462 2.185 1.00 4.02 H new ATOM 0 HG13 VAL A 75 8.333 6.818 2.719 1.00 4.02 H new ATOM 0 HG21 VAL A 75 10.808 5.847 1.200 1.00 4.04 H new ATOM 0 HG22 VAL A 75 10.848 6.484 2.861 1.00 4.04 H new ATOM 0 HG23 VAL A 75 11.541 4.884 2.506 1.00 4.04 H new ATOM 1177 N GLU A 76 6.877 4.367 4.931 1.00 1.89 N ATOM 1178 CA GLU A 76 5.551 3.762 5.096 1.00 1.44 C ATOM 1179 C GLU A 76 4.631 4.033 3.894 1.00 1.13 C ATOM 1180 O GLU A 76 4.595 5.149 3.360 1.00 1.39 O ATOM 1181 CB GLU A 76 4.849 4.261 6.370 1.00 1.83 C ATOM 1182 CG GLU A 76 5.656 4.051 7.657 1.00 1.96 C ATOM 1183 CD GLU A 76 6.577 5.220 7.998 1.00 2.24 C ATOM 1184 OE1 GLU A 76 7.702 5.223 7.450 1.00 2.87 O ATOM 1185 OE2 GLU A 76 6.166 6.073 8.806 1.00 3.17 O ATOM 0 H GLU A 76 7.021 5.220 5.471 1.00 1.89 H new ATOM 0 HA GLU A 76 5.728 2.689 5.173 1.00 1.44 H new ATOM 0 HB2 GLU A 76 4.633 5.324 6.260 1.00 1.83 H new ATOM 0 HB3 GLU A 76 3.891 3.749 6.468 1.00 1.83 H new ATOM 0 HG2 GLU A 76 4.967 3.888 8.486 1.00 1.96 H new ATOM 0 HG3 GLU A 76 6.254 3.145 7.557 1.00 1.96 H new ATOM 1192 N LEU A 77 3.802 3.044 3.522 1.00 0.81 N ATOM 1193 CA LEU A 77 2.608 3.267 2.707 1.00 0.83 C ATOM 1194 C LEU A 77 1.562 3.990 3.580 1.00 1.15 C ATOM 1195 O LEU A 77 0.597 3.423 4.086 1.00 2.19 O ATOM 1196 CB LEU A 77 2.084 1.968 2.050 1.00 0.72 C ATOM 1197 CG LEU A 77 2.897 1.423 0.854 1.00 0.74 C ATOM 1198 CD1 LEU A 77 4.256 0.810 1.224 1.00 0.71 C ATOM 1199 CD2 LEU A 77 2.069 0.364 0.118 1.00 1.25 C ATOM 0 H LEU A 77 3.946 2.068 3.781 1.00 0.81 H new ATOM 0 HA LEU A 77 2.852 3.904 1.857 1.00 0.83 H new ATOM 0 HB2 LEU A 77 2.041 1.192 2.815 1.00 0.72 H new ATOM 0 HB3 LEU A 77 1.061 2.143 1.716 1.00 0.72 H new ATOM 0 HG LEU A 77 3.110 2.288 0.227 1.00 0.74 H new ATOM 0 HD11 LEU A 77 4.753 0.455 0.321 1.00 0.71 H new ATOM 0 HD12 LEU A 77 4.876 1.565 1.707 1.00 0.71 H new ATOM 0 HD13 LEU A 77 4.104 -0.026 1.907 1.00 0.71 H new ATOM 0 HD21 LEU A 77 2.640 -0.022 -0.726 1.00 1.25 H new ATOM 0 HD22 LEU A 77 1.833 -0.452 0.801 1.00 1.25 H new ATOM 0 HD23 LEU A 77 1.144 0.813 -0.244 1.00 1.25 H new ATOM 1211 N LYS A 78 1.830 5.273 3.820 1.00 0.92 N ATOM 1212 CA LYS A 78 1.114 6.137 4.752 1.00 1.06 C ATOM 1213 C LYS A 78 -0.327 6.484 4.298 1.00 0.98 C ATOM 1214 O LYS A 78 -0.545 6.798 3.125 1.00 0.95 O ATOM 1215 CB LYS A 78 1.995 7.380 5.017 1.00 1.32 C ATOM 1216 CG LYS A 78 2.282 8.245 3.771 1.00 1.49 C ATOM 1217 CD LYS A 78 3.495 9.169 3.968 1.00 2.01 C ATOM 1218 CE LYS A 78 3.887 9.922 2.681 1.00 3.47 C ATOM 1219 NZ LYS A 78 3.032 11.108 2.393 1.00 5.46 N ATOM 0 H LYS A 78 2.590 5.760 3.345 1.00 0.92 H new ATOM 0 HA LYS A 78 0.953 5.601 5.688 1.00 1.06 H new ATOM 0 HB2 LYS A 78 1.507 8.001 5.769 1.00 1.32 H new ATOM 0 HB3 LYS A 78 2.944 7.052 5.441 1.00 1.32 H new ATOM 0 HG2 LYS A 78 2.458 7.596 2.914 1.00 1.49 H new ATOM 0 HG3 LYS A 78 1.403 8.847 3.539 1.00 1.49 H new ATOM 0 HD2 LYS A 78 3.272 9.892 4.753 1.00 2.01 H new ATOM 0 HD3 LYS A 78 4.344 8.578 4.311 1.00 2.01 H new ATOM 0 HE2 LYS A 78 4.925 10.245 2.762 1.00 3.47 H new ATOM 0 HE3 LYS A 78 3.833 9.233 1.838 1.00 3.47 H new ATOM 0 HZ1 LYS A 78 3.100 11.348 1.383 1.00 5.46 H new ATOM 0 HZ2 LYS A 78 2.043 10.889 2.631 1.00 5.46 H new ATOM 0 HZ3 LYS A 78 3.355 11.915 2.964 1.00 5.46 H new ATOM 1233 N PRO A 79 -1.306 6.568 5.229 1.00 1.16 N ATOM 1234 CA PRO A 79 -2.703 6.910 4.923 1.00 1.32 C ATOM 1235 C PRO A 79 -2.914 8.357 4.425 1.00 1.33 C ATOM 1236 O PRO A 79 -4.032 8.716 4.058 1.00 2.30 O ATOM 1237 CB PRO A 79 -3.468 6.637 6.225 1.00 1.61 C ATOM 1238 CG PRO A 79 -2.423 6.903 7.300 1.00 1.58 C ATOM 1239 CD PRO A 79 -1.157 6.336 6.661 1.00 1.41 C ATOM 0 HA PRO A 79 -3.062 6.310 4.086 1.00 1.32 H new ATOM 0 HB2 PRO A 79 -4.332 7.294 6.331 1.00 1.61 H new ATOM 0 HB3 PRO A 79 -3.839 5.613 6.268 1.00 1.61 H new ATOM 0 HG2 PRO A 79 -2.327 7.966 7.521 1.00 1.58 H new ATOM 0 HG3 PRO A 79 -2.666 6.403 8.237 1.00 1.58 H new ATOM 0 HD2 PRO A 79 -0.266 6.831 7.048 1.00 1.41 H new ATOM 0 HD3 PRO A 79 -1.050 5.273 6.877 1.00 1.41 H new ATOM 1247 N GLY A 80 -1.860 9.184 4.403 1.00 1.00 N ATOM 1248 CA GLY A 80 -1.801 10.470 3.703 1.00 1.12 C ATOM 1249 C GLY A 80 -0.675 10.467 2.667 1.00 1.01 C ATOM 1250 O GLY A 80 0.228 11.302 2.733 1.00 1.67 O ATOM 0 H GLY A 80 -0.992 8.965 4.892 1.00 1.00 H new ATOM 0 HA2 GLY A 80 -2.754 10.667 3.212 1.00 1.12 H new ATOM 0 HA3 GLY A 80 -1.640 11.274 4.421 1.00 1.12 H new ATOM 1254 N GLY A 81 -0.636 9.455 1.797 1.00 0.83 N ATOM 1255 CA GLY A 81 0.409 9.278 0.787 1.00 0.73 C ATOM 1256 C GLY A 81 0.363 7.936 0.084 1.00 0.81 C ATOM 1257 O GLY A 81 -0.643 7.594 -0.532 1.00 1.59 O ATOM 0 H GLY A 81 -1.344 8.721 1.775 1.00 0.83 H new ATOM 0 HA2 GLY A 81 0.320 10.070 0.043 1.00 0.73 H new ATOM 0 HA3 GLY A 81 1.383 9.395 1.262 1.00 0.73 H new ATOM 1261 N TYR A 82 1.467 7.193 0.140 1.00 0.66 N ATOM 1262 CA TYR A 82 1.635 5.999 -0.681 1.00 0.66 C ATOM 1263 C TYR A 82 0.776 4.856 -0.177 1.00 0.59 C ATOM 1264 O TYR A 82 0.629 4.645 1.016 1.00 0.61 O ATOM 1265 CB TYR A 82 3.106 5.592 -0.740 1.00 0.72 C ATOM 1266 CG TYR A 82 3.945 6.706 -1.311 1.00 0.75 C ATOM 1267 CD1 TYR A 82 3.791 7.014 -2.669 1.00 1.50 C ATOM 1268 CD2 TYR A 82 4.735 7.522 -0.479 1.00 2.08 C ATOM 1269 CE1 TYR A 82 4.391 8.163 -3.198 1.00 1.43 C ATOM 1270 CE2 TYR A 82 5.304 8.699 -1.003 1.00 2.21 C ATOM 1271 CZ TYR A 82 5.083 9.053 -2.356 1.00 0.97 C ATOM 1272 OH TYR A 82 5.449 10.277 -2.823 1.00 1.30 O ATOM 0 H TYR A 82 2.260 7.399 0.748 1.00 0.66 H new ATOM 0 HA TYR A 82 1.303 6.237 -1.692 1.00 0.66 H new ATOM 0 HB2 TYR A 82 3.459 5.340 0.260 1.00 0.72 H new ATOM 0 HB3 TYR A 82 3.216 4.697 -1.352 1.00 0.72 H new ATOM 0 HD1 TYR A 82 3.210 6.365 -3.308 1.00 1.50 H new ATOM 0 HD2 TYR A 82 4.903 7.248 0.552 1.00 2.08 H new ATOM 0 HE1 TYR A 82 4.322 8.367 -4.256 1.00 1.43 H new ATOM 0 HE2 TYR A 82 5.910 9.332 -0.372 1.00 2.21 H new ATOM 0 HH TYR A 82 4.833 10.554 -3.533 1.00 1.30 H new ATOM 1282 N HIS A 83 0.143 4.163 -1.103 1.00 0.54 N ATOM 1283 CA HIS A 83 -0.736 3.038 -0.779 1.00 0.49 C ATOM 1284 C HIS A 83 -0.992 2.165 -2.003 1.00 0.45 C ATOM 1285 O HIS A 83 -0.946 2.653 -3.133 1.00 0.50 O ATOM 1286 CB HIS A 83 -2.035 3.526 -0.121 1.00 0.51 C ATOM 1287 CG HIS A 83 -2.870 4.392 -1.011 1.00 0.48 C ATOM 1288 ND1 HIS A 83 -2.642 5.717 -1.311 1.00 0.53 N ATOM 1289 CD2 HIS A 83 -3.908 3.963 -1.784 1.00 0.45 C ATOM 1290 CE1 HIS A 83 -3.508 6.072 -2.271 1.00 0.50 C ATOM 1291 NE2 HIS A 83 -4.299 5.037 -2.572 1.00 0.47 N ATOM 0 H HIS A 83 0.218 4.357 -2.102 1.00 0.54 H new ATOM 0 HA HIS A 83 -0.229 2.408 -0.048 1.00 0.49 H new ATOM 0 HB2 HIS A 83 -2.623 2.662 0.186 1.00 0.51 H new ATOM 0 HB3 HIS A 83 -1.788 4.081 0.784 1.00 0.51 H new ATOM 0 HD1 HIS A 83 -1.941 6.320 -0.880 1.00 0.53 H new ATOM 0 HD2 HIS A 83 -4.344 2.975 -1.783 1.00 0.45 H new ATOM 0 HE1 HIS A 83 -3.559 7.047 -2.732 1.00 0.50 H new ATOM 1299 N PHE A 84 -1.341 0.902 -1.787 1.00 0.42 N ATOM 1300 CA PHE A 84 -1.921 0.099 -2.856 1.00 0.42 C ATOM 1301 C PHE A 84 -3.411 0.407 -2.981 1.00 0.44 C ATOM 1302 O PHE A 84 -4.080 0.605 -1.966 1.00 0.52 O ATOM 1303 CB PHE A 84 -1.720 -1.384 -2.565 1.00 0.49 C ATOM 1304 CG PHE A 84 -0.269 -1.786 -2.503 1.00 0.54 C ATOM 1305 CD1 PHE A 84 0.527 -1.718 -3.659 1.00 1.34 C ATOM 1306 CD2 PHE A 84 0.291 -2.198 -1.283 1.00 1.74 C ATOM 1307 CE1 PHE A 84 1.879 -2.080 -3.599 1.00 1.30 C ATOM 1308 CE2 PHE A 84 1.645 -2.558 -1.226 1.00 1.95 C ATOM 1309 CZ PHE A 84 2.443 -2.482 -2.374 1.00 0.97 C ATOM 0 H PHE A 84 -1.235 0.418 -0.896 1.00 0.42 H new ATOM 0 HA PHE A 84 -1.424 0.344 -3.795 1.00 0.42 H new ATOM 0 HB2 PHE A 84 -2.199 -1.630 -1.617 1.00 0.49 H new ATOM 0 HB3 PHE A 84 -2.220 -1.970 -3.336 1.00 0.49 H new ATOM 0 HD1 PHE A 84 0.097 -1.387 -4.593 1.00 1.34 H new ATOM 0 HD2 PHE A 84 -0.319 -2.237 -0.392 1.00 1.74 H new ATOM 0 HE1 PHE A 84 2.487 -2.051 -4.491 1.00 1.30 H new ATOM 0 HE2 PHE A 84 2.074 -2.895 -0.294 1.00 1.95 H new ATOM 0 HZ PHE A 84 3.492 -2.732 -2.319 1.00 0.97 H new ATOM 1319 N MET A 85 -3.940 0.355 -4.201 1.00 0.44 N ATOM 1320 CA MET A 85 -5.381 0.223 -4.466 1.00 0.46 C ATOM 1321 C MET A 85 -5.673 -1.237 -4.796 1.00 0.43 C ATOM 1322 O MET A 85 -4.969 -1.814 -5.617 1.00 0.45 O ATOM 1323 CB MET A 85 -5.822 1.123 -5.622 1.00 0.56 C ATOM 1324 CG MET A 85 -7.163 1.794 -5.304 1.00 0.65 C ATOM 1325 SD MET A 85 -7.095 3.024 -3.959 1.00 0.52 S ATOM 1326 CE MET A 85 -8.871 3.216 -3.647 1.00 0.56 C ATOM 0 H MET A 85 -3.376 0.404 -5.050 1.00 0.44 H new ATOM 0 HA MET A 85 -5.939 0.535 -3.583 1.00 0.46 H new ATOM 0 HB2 MET A 85 -5.064 1.884 -5.807 1.00 0.56 H new ATOM 0 HB3 MET A 85 -5.912 0.534 -6.535 1.00 0.56 H new ATOM 0 HG2 MET A 85 -7.534 2.281 -6.206 1.00 0.65 H new ATOM 0 HG3 MET A 85 -7.886 1.023 -5.038 1.00 0.65 H new ATOM 0 HE1 MET A 85 -9.024 3.939 -2.846 1.00 0.56 H new ATOM 0 HE2 MET A 85 -9.363 3.569 -4.553 1.00 0.56 H new ATOM 0 HE3 MET A 85 -9.295 2.255 -3.355 1.00 0.56 H new ATOM 1336 N LEU A 86 -6.677 -1.844 -4.168 1.00 0.44 N ATOM 1337 CA LEU A 86 -7.060 -3.247 -4.347 1.00 0.43 C ATOM 1338 C LEU A 86 -8.441 -3.322 -5.007 1.00 0.43 C ATOM 1339 O LEU A 86 -9.347 -2.579 -4.630 1.00 0.56 O ATOM 1340 CB LEU A 86 -7.114 -3.946 -2.972 1.00 0.45 C ATOM 1341 CG LEU A 86 -5.775 -4.376 -2.334 1.00 0.46 C ATOM 1342 CD1 LEU A 86 -4.805 -3.222 -2.046 1.00 0.50 C ATOM 1343 CD2 LEU A 86 -6.091 -5.074 -1.001 1.00 0.52 C ATOM 0 H LEU A 86 -7.269 -1.357 -3.495 1.00 0.44 H new ATOM 0 HA LEU A 86 -6.325 -3.743 -4.981 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -7.618 -3.277 -2.275 1.00 0.45 H new ATOM 0 HB3 LEU A 86 -7.739 -4.833 -3.071 1.00 0.45 H new ATOM 0 HG LEU A 86 -5.279 -5.025 -3.056 1.00 0.46 H new ATOM 0 HD11 LEU A 86 -3.893 -3.617 -1.599 1.00 0.50 H new ATOM 0 HD12 LEU A 86 -4.561 -2.711 -2.977 1.00 0.50 H new ATOM 0 HD13 LEU A 86 -5.271 -2.518 -1.357 1.00 0.50 H new ATOM 0 HD21 LEU A 86 -5.162 -5.390 -0.526 1.00 0.52 H new ATOM 0 HD22 LEU A 86 -6.617 -4.382 -0.344 1.00 0.52 H new ATOM 0 HD23 LEU A 86 -6.718 -5.946 -1.187 1.00 0.52 H new ATOM 1355 N LEU A 87 -8.623 -4.247 -5.954 1.00 0.41 N ATOM 1356 CA LEU A 87 -9.877 -4.475 -6.678 1.00 0.48 C ATOM 1357 C LEU A 87 -10.157 -5.979 -6.824 1.00 0.48 C ATOM 1358 O LEU A 87 -9.235 -6.783 -6.984 1.00 0.52 O ATOM 1359 CB LEU A 87 -9.820 -3.828 -8.078 1.00 0.68 C ATOM 1360 CG LEU A 87 -9.504 -2.314 -8.132 1.00 0.85 C ATOM 1361 CD1 LEU A 87 -7.995 -2.023 -8.253 1.00 1.71 C ATOM 1362 CD2 LEU A 87 -10.204 -1.702 -9.354 1.00 1.56 C ATOM 0 H LEU A 87 -7.877 -4.878 -6.247 1.00 0.41 H new ATOM 0 HA LEU A 87 -10.682 -4.017 -6.102 1.00 0.48 H new ATOM 0 HB2 LEU A 87 -9.067 -4.354 -8.665 1.00 0.68 H new ATOM 0 HB3 LEU A 87 -10.779 -3.993 -8.568 1.00 0.68 H new ATOM 0 HG LEU A 87 -9.859 -1.879 -7.198 1.00 0.85 H new ATOM 0 HD11 LEU A 87 -7.834 -0.946 -8.287 1.00 1.71 H new ATOM 0 HD12 LEU A 87 -7.474 -2.441 -7.392 1.00 1.71 H new ATOM 0 HD13 LEU A 87 -7.609 -2.476 -9.166 1.00 1.71 H new ATOM 0 HD21 LEU A 87 -9.987 -0.635 -9.401 1.00 1.56 H new ATOM 0 HD22 LEU A 87 -9.842 -2.186 -10.261 1.00 1.56 H new ATOM 0 HD23 LEU A 87 -11.281 -1.850 -9.269 1.00 1.56 H new ATOM 1374 N GLY A 88 -11.434 -6.371 -6.801 1.00 0.54 N ATOM 1375 CA GLY A 88 -11.841 -7.770 -7.009 1.00 0.62 C ATOM 1376 C GLY A 88 -11.429 -8.674 -5.847 1.00 0.63 C ATOM 1377 O GLY A 88 -10.849 -9.738 -6.059 1.00 0.86 O ATOM 0 H GLY A 88 -12.214 -5.734 -6.639 1.00 0.54 H new ATOM 0 HA2 GLY A 88 -12.923 -7.816 -7.136 1.00 0.62 H new ATOM 0 HA3 GLY A 88 -11.395 -8.142 -7.931 1.00 0.62 H new ATOM 1381 N LEU A 89 -11.647 -8.203 -4.616 1.00 0.56 N ATOM 1382 CA LEU A 89 -11.349 -8.931 -3.384 1.00 0.60 C ATOM 1383 C LEU A 89 -12.125 -10.235 -3.207 1.00 0.65 C ATOM 1384 O LEU A 89 -13.247 -10.417 -3.669 1.00 0.91 O ATOM 1385 CB LEU A 89 -11.433 -8.021 -2.145 1.00 0.73 C ATOM 1386 CG LEU A 89 -12.624 -7.048 -2.012 1.00 0.74 C ATOM 1387 CD1 LEU A 89 -13.976 -7.762 -1.888 1.00 1.24 C ATOM 1388 CD2 LEU A 89 -12.375 -6.149 -0.797 1.00 1.10 C ATOM 0 H LEU A 89 -12.046 -7.280 -4.447 1.00 0.56 H new ATOM 0 HA LEU A 89 -10.312 -9.250 -3.489 1.00 0.60 H new ATOM 0 HB2 LEU A 89 -11.432 -8.663 -1.264 1.00 0.73 H new ATOM 0 HB3 LEU A 89 -10.518 -7.429 -2.109 1.00 0.73 H new ATOM 0 HG LEU A 89 -12.685 -6.458 -2.926 1.00 0.74 H new ATOM 0 HD11 LEU A 89 -14.771 -7.022 -1.798 1.00 1.24 H new ATOM 0 HD12 LEU A 89 -14.147 -8.373 -2.774 1.00 1.24 H new ATOM 0 HD13 LEU A 89 -13.971 -8.399 -1.004 1.00 1.24 H new ATOM 0 HD21 LEU A 89 -13.205 -5.452 -0.684 1.00 1.10 H new ATOM 0 HD22 LEU A 89 -12.292 -6.764 0.099 1.00 1.10 H new ATOM 0 HD23 LEU A 89 -11.450 -5.591 -0.941 1.00 1.10 H new ATOM 1400 N LYS A 90 -11.480 -11.149 -2.485 1.00 0.69 N ATOM 1401 CA LYS A 90 -11.993 -12.507 -2.226 1.00 0.81 C ATOM 1402 C LYS A 90 -12.432 -12.717 -0.756 1.00 1.02 C ATOM 1403 O LYS A 90 -12.980 -13.764 -0.386 1.00 1.23 O ATOM 1404 CB LYS A 90 -10.975 -13.541 -2.742 1.00 0.75 C ATOM 1405 CG LYS A 90 -10.695 -13.408 -4.261 1.00 0.92 C ATOM 1406 CD LYS A 90 -9.368 -12.727 -4.619 1.00 1.92 C ATOM 1407 CE LYS A 90 -9.148 -12.627 -6.135 1.00 1.46 C ATOM 1408 NZ LYS A 90 -8.994 -13.942 -6.801 1.00 2.52 N ATOM 0 H LYS A 90 -10.573 -10.972 -2.054 1.00 0.69 H new ATOM 0 HA LYS A 90 -12.917 -12.652 -2.785 1.00 0.81 H new ATOM 0 HB2 LYS A 90 -10.040 -13.427 -2.194 1.00 0.75 H new ATOM 0 HB3 LYS A 90 -11.346 -14.544 -2.533 1.00 0.75 H new ATOM 0 HG2 LYS A 90 -10.707 -14.403 -4.706 1.00 0.92 H new ATOM 0 HG3 LYS A 90 -11.509 -12.845 -4.717 1.00 0.92 H new ATOM 0 HD2 LYS A 90 -9.348 -11.727 -4.186 1.00 1.92 H new ATOM 0 HD3 LYS A 90 -8.545 -13.285 -4.172 1.00 1.92 H new ATOM 0 HE2 LYS A 90 -9.991 -12.099 -6.582 1.00 1.46 H new ATOM 0 HE3 LYS A 90 -8.259 -12.026 -6.326 1.00 1.46 H new ATOM 0 HZ1 LYS A 90 -8.155 -13.924 -7.416 1.00 2.52 H new ATOM 0 HZ2 LYS A 90 -8.880 -14.684 -6.082 1.00 2.52 H new ATOM 0 HZ3 LYS A 90 -9.839 -14.142 -7.374 1.00 2.52 H new ATOM 1422 N ARG A 91 -12.250 -11.683 0.076 1.00 1.08 N ATOM 1423 CA ARG A 91 -13.013 -11.399 1.294 1.00 1.26 C ATOM 1424 C ARG A 91 -13.305 -9.892 1.321 1.00 1.36 C ATOM 1425 O ARG A 91 -12.354 -9.132 1.129 1.00 1.47 O ATOM 1426 CB ARG A 91 -12.211 -11.740 2.566 1.00 1.44 C ATOM 1427 CG ARG A 91 -11.936 -13.235 2.778 1.00 1.74 C ATOM 1428 CD ARG A 91 -13.233 -13.988 3.093 1.00 2.81 C ATOM 1429 NE ARG A 91 -12.986 -15.410 3.385 1.00 3.14 N ATOM 1430 CZ ARG A 91 -13.019 -16.412 2.515 1.00 4.22 C ATOM 1431 NH1 ARG A 91 -13.167 -16.221 1.219 1.00 5.22 N ATOM 1432 NH2 ARG A 91 -12.901 -17.648 2.953 1.00 4.98 N ATOM 0 H ARG A 91 -11.526 -10.985 -0.094 1.00 1.08 H new ATOM 0 HA ARG A 91 -13.920 -12.003 1.282 1.00 1.26 H new ATOM 0 HB2 ARG A 91 -11.258 -11.212 2.529 1.00 1.44 H new ATOM 0 HB3 ARG A 91 -12.753 -11.359 3.432 1.00 1.44 H new ATOM 0 HG2 ARG A 91 -11.475 -13.655 1.884 1.00 1.74 H new ATOM 0 HG3 ARG A 91 -11.226 -13.367 3.595 1.00 1.74 H new ATOM 0 HD2 ARG A 91 -13.725 -13.522 3.947 1.00 2.81 H new ATOM 0 HD3 ARG A 91 -13.916 -13.904 2.247 1.00 2.81 H new ATOM 0 HE ARG A 91 -12.768 -15.649 4.352 1.00 3.14 H new ATOM 0 HH11 ARG A 91 -13.261 -15.275 0.850 1.00 5.22 H new ATOM 0 HH12 ARG A 91 -13.187 -17.020 0.585 1.00 5.22 H new ATOM 0 HH21 ARG A 91 -12.786 -17.827 3.951 1.00 4.98 H new ATOM 0 HH22 ARG A 91 -12.925 -18.427 2.295 1.00 4.98 H new ATOM 1446 N PRO A 92 -14.555 -9.448 1.575 1.00 1.60 N ATOM 1447 CA PRO A 92 -14.811 -8.085 2.022 1.00 1.83 C ATOM 1448 C PRO A 92 -14.133 -7.894 3.382 1.00 1.72 C ATOM 1449 O PRO A 92 -13.897 -8.865 4.100 1.00 1.86 O ATOM 1450 CB PRO A 92 -16.329 -7.935 2.084 1.00 2.28 C ATOM 1451 CG PRO A 92 -16.811 -9.357 2.362 1.00 2.29 C ATOM 1452 CD PRO A 92 -15.782 -10.235 1.651 1.00 1.89 C ATOM 0 HA PRO A 92 -14.408 -7.322 1.356 1.00 1.83 H new ATOM 0 HB2 PRO A 92 -16.633 -7.246 2.872 1.00 2.28 H new ATOM 0 HB3 PRO A 92 -16.734 -7.549 1.149 1.00 2.28 H new ATOM 0 HG2 PRO A 92 -16.845 -9.566 3.431 1.00 2.29 H new ATOM 0 HG3 PRO A 92 -17.816 -9.522 1.973 1.00 2.29 H new ATOM 0 HD2 PRO A 92 -15.616 -11.162 2.200 1.00 1.89 H new ATOM 0 HD3 PRO A 92 -16.129 -10.512 0.655 1.00 1.89 H new ATOM 1460 N LEU A 93 -13.787 -6.654 3.717 1.00 1.76 N ATOM 1461 CA LEU A 93 -12.731 -6.314 4.665 1.00 1.80 C ATOM 1462 C LEU A 93 -13.344 -5.693 5.917 1.00 1.71 C ATOM 1463 O LEU A 93 -13.652 -4.505 5.953 1.00 2.21 O ATOM 1464 CB LEU A 93 -11.775 -5.339 3.944 1.00 2.06 C ATOM 1465 CG LEU A 93 -10.991 -5.968 2.776 1.00 1.58 C ATOM 1466 CD1 LEU A 93 -10.392 -4.850 1.918 1.00 2.50 C ATOM 1467 CD2 LEU A 93 -9.875 -6.896 3.263 1.00 2.04 C ATOM 0 H LEU A 93 -14.248 -5.833 3.324 1.00 1.76 H new ATOM 0 HA LEU A 93 -12.177 -7.195 4.989 1.00 1.80 H new ATOM 0 HB2 LEU A 93 -12.352 -4.495 3.566 1.00 2.06 H new ATOM 0 HB3 LEU A 93 -11.066 -4.941 4.670 1.00 2.06 H new ATOM 0 HG LEU A 93 -11.685 -6.572 2.191 1.00 1.58 H new ATOM 0 HD11 LEU A 93 -9.835 -5.286 1.089 1.00 2.50 H new ATOM 0 HD12 LEU A 93 -11.193 -4.223 1.527 1.00 2.50 H new ATOM 0 HD13 LEU A 93 -9.721 -4.244 2.527 1.00 2.50 H new ATOM 0 HD21 LEU A 93 -9.350 -7.316 2.405 1.00 2.04 H new ATOM 0 HD22 LEU A 93 -9.173 -6.331 3.876 1.00 2.04 H new ATOM 0 HD23 LEU A 93 -10.306 -7.703 3.855 1.00 2.04 H new ATOM 1479 N LYS A 94 -13.542 -6.491 6.962 1.00 1.29 N ATOM 1480 CA LYS A 94 -13.992 -6.039 8.270 1.00 1.28 C ATOM 1481 C LYS A 94 -12.836 -5.499 9.112 1.00 1.22 C ATOM 1482 O LYS A 94 -11.782 -6.116 9.224 1.00 1.52 O ATOM 1483 CB LYS A 94 -14.678 -7.200 9.002 1.00 1.47 C ATOM 1484 CG LYS A 94 -16.156 -7.333 8.643 1.00 1.96 C ATOM 1485 CD LYS A 94 -16.551 -7.469 7.168 1.00 3.04 C ATOM 1486 CE LYS A 94 -16.478 -8.916 6.645 1.00 3.67 C ATOM 1487 NZ LYS A 94 -15.099 -9.446 6.525 1.00 3.95 N ATOM 0 H LYS A 94 -13.389 -7.498 6.919 1.00 1.29 H new ATOM 0 HA LYS A 94 -14.699 -5.223 8.122 1.00 1.28 H new ATOM 0 HB2 LYS A 94 -14.165 -8.131 8.760 1.00 1.47 H new ATOM 0 HB3 LYS A 94 -14.582 -7.053 10.078 1.00 1.47 H new ATOM 0 HG2 LYS A 94 -16.546 -8.204 9.170 1.00 1.96 H new ATOM 0 HG3 LYS A 94 -16.672 -6.460 9.043 1.00 1.96 H new ATOM 0 HD2 LYS A 94 -17.566 -7.094 7.035 1.00 3.04 H new ATOM 0 HD3 LYS A 94 -15.897 -6.839 6.565 1.00 3.04 H new ATOM 0 HE2 LYS A 94 -17.047 -9.562 7.313 1.00 3.67 H new ATOM 0 HE3 LYS A 94 -16.960 -8.963 5.669 1.00 3.67 H new ATOM 0 HZ1 LYS A 94 -14.888 -9.642 5.526 1.00 3.95 H new ATOM 0 HZ2 LYS A 94 -14.424 -8.744 6.889 1.00 3.95 H new ATOM 0 HZ3 LYS A 94 -15.016 -10.324 7.076 1.00 3.95 H new ATOM 1501 N ALA A 95 -13.103 -4.373 9.769 1.00 1.31 N ATOM 1502 CA ALA A 95 -12.278 -3.886 10.866 1.00 1.33 C ATOM 1503 C ALA A 95 -12.117 -5.019 11.898 1.00 1.28 C ATOM 1504 O ALA A 95 -13.104 -5.588 12.363 1.00 1.43 O ATOM 1505 CB ALA A 95 -12.915 -2.621 11.452 1.00 1.53 C ATOM 0 H ALA A 95 -13.899 -3.773 9.554 1.00 1.31 H new ATOM 0 HA ALA A 95 -11.280 -3.608 10.526 1.00 1.33 H new ATOM 0 HB1 ALA A 95 -12.301 -2.252 12.274 1.00 1.53 H new ATOM 0 HB2 ALA A 95 -12.983 -1.856 10.678 1.00 1.53 H new ATOM 0 HB3 ALA A 95 -13.914 -2.854 11.821 1.00 1.53 H new ATOM 1511 N GLY A 96 -10.869 -5.393 12.150 1.00 1.15 N ATOM 1512 CA GLY A 96 -10.462 -6.488 13.039 1.00 1.17 C ATOM 1513 C GLY A 96 -10.056 -7.797 12.352 1.00 1.19 C ATOM 1514 O GLY A 96 -9.664 -8.719 13.057 1.00 1.60 O ATOM 0 H GLY A 96 -10.071 -4.923 11.723 1.00 1.15 H new ATOM 0 HA2 GLY A 96 -9.624 -6.144 13.646 1.00 1.17 H new ATOM 0 HA3 GLY A 96 -11.285 -6.699 13.722 1.00 1.17 H new ATOM 1518 N GLU A 97 -10.132 -7.903 11.020 1.00 0.97 N ATOM 1519 CA GLU A 97 -9.534 -9.020 10.264 1.00 0.94 C ATOM 1520 C GLU A 97 -8.034 -8.812 10.004 1.00 0.86 C ATOM 1521 O GLU A 97 -7.422 -7.880 10.517 1.00 0.81 O ATOM 1522 CB GLU A 97 -10.291 -9.238 8.944 1.00 0.91 C ATOM 1523 CG GLU A 97 -11.650 -9.884 9.204 1.00 1.07 C ATOM 1524 CD GLU A 97 -12.467 -10.025 7.928 1.00 1.13 C ATOM 1525 OE1 GLU A 97 -12.483 -9.073 7.120 1.00 2.39 O ATOM 1526 OE2 GLU A 97 -13.247 -10.990 7.793 1.00 1.64 O ATOM 0 H GLU A 97 -10.609 -7.219 10.432 1.00 0.97 H new ATOM 0 HA GLU A 97 -9.628 -9.915 10.879 1.00 0.94 H new ATOM 0 HB2 GLU A 97 -10.427 -8.284 8.435 1.00 0.91 H new ATOM 0 HB3 GLU A 97 -9.702 -9.872 8.281 1.00 0.91 H new ATOM 0 HG2 GLU A 97 -11.504 -10.867 9.652 1.00 1.07 H new ATOM 0 HG3 GLU A 97 -12.205 -9.284 9.925 1.00 1.07 H new ATOM 1533 N GLU A 98 -7.443 -9.665 9.169 1.00 0.92 N ATOM 1534 CA GLU A 98 -6.033 -9.812 8.853 1.00 0.85 C ATOM 1535 C GLU A 98 -5.957 -10.265 7.392 1.00 0.88 C ATOM 1536 O GLU A 98 -6.750 -11.094 6.943 1.00 1.08 O ATOM 1537 CB GLU A 98 -5.378 -10.865 9.762 1.00 0.99 C ATOM 1538 CG GLU A 98 -5.330 -10.448 11.240 1.00 2.35 C ATOM 1539 CD GLU A 98 -4.821 -11.564 12.154 1.00 2.64 C ATOM 1540 OE1 GLU A 98 -4.201 -12.518 11.638 1.00 2.98 O ATOM 1541 OE2 GLU A 98 -5.070 -11.455 13.373 1.00 3.45 O ATOM 0 H GLU A 98 -8.003 -10.338 8.646 1.00 0.92 H new ATOM 0 HA GLU A 98 -5.504 -8.872 9.008 1.00 0.85 H new ATOM 0 HB2 GLU A 98 -5.927 -11.803 9.674 1.00 0.99 H new ATOM 0 HB3 GLU A 98 -4.363 -11.056 9.413 1.00 0.99 H new ATOM 0 HG2 GLU A 98 -4.685 -9.575 11.346 1.00 2.35 H new ATOM 0 HG3 GLU A 98 -6.328 -10.148 11.561 1.00 2.35 H new ATOM 1548 N VAL A 99 -5.038 -9.667 6.646 1.00 0.79 N ATOM 1549 CA VAL A 99 -4.837 -9.868 5.204 1.00 0.77 C ATOM 1550 C VAL A 99 -3.345 -9.910 4.841 1.00 0.69 C ATOM 1551 O VAL A 99 -2.569 -9.038 5.234 1.00 0.78 O ATOM 1552 CB VAL A 99 -5.565 -8.747 4.425 1.00 0.87 C ATOM 1553 CG1 VAL A 99 -5.154 -8.669 2.943 1.00 1.09 C ATOM 1554 CG2 VAL A 99 -7.090 -8.951 4.504 1.00 0.93 C ATOM 0 H VAL A 99 -4.378 -8.997 7.041 1.00 0.79 H new ATOM 0 HA VAL A 99 -5.258 -10.834 4.925 1.00 0.77 H new ATOM 0 HB VAL A 99 -5.272 -7.810 4.899 1.00 0.87 H new ATOM 0 HG11 VAL A 99 -5.702 -7.862 2.456 1.00 1.09 H new ATOM 0 HG12 VAL A 99 -4.084 -8.476 2.872 1.00 1.09 H new ATOM 0 HG13 VAL A 99 -5.386 -9.614 2.451 1.00 1.09 H new ATOM 0 HG21 VAL A 99 -7.592 -8.156 3.952 1.00 0.93 H new ATOM 0 HG22 VAL A 99 -7.351 -9.916 4.069 1.00 0.93 H new ATOM 0 HG23 VAL A 99 -7.407 -8.925 5.547 1.00 0.93 H new ATOM 1564 N GLU A 100 -2.956 -10.910 4.041 1.00 0.66 N ATOM 1565 CA GLU A 100 -1.607 -11.004 3.463 1.00 0.67 C ATOM 1566 C GLU A 100 -1.431 -10.096 2.235 1.00 0.65 C ATOM 1567 O GLU A 100 -2.326 -9.997 1.390 1.00 0.67 O ATOM 1568 CB GLU A 100 -1.258 -12.438 3.027 1.00 0.92 C ATOM 1569 CG GLU A 100 -1.298 -13.482 4.146 1.00 1.41 C ATOM 1570 CD GLU A 100 -0.374 -14.651 3.807 1.00 1.60 C ATOM 1571 OE1 GLU A 100 -0.491 -15.283 2.730 1.00 1.79 O ATOM 1572 OE2 GLU A 100 0.548 -14.922 4.602 1.00 2.88 O ATOM 0 H GLU A 100 -3.569 -11.680 3.774 1.00 0.66 H new ATOM 0 HA GLU A 100 -0.939 -10.682 4.262 1.00 0.67 H new ATOM 0 HB2 GLU A 100 -1.951 -12.742 2.242 1.00 0.92 H new ATOM 0 HB3 GLU A 100 -0.260 -12.436 2.588 1.00 0.92 H new ATOM 0 HG2 GLU A 100 -0.992 -13.028 5.089 1.00 1.41 H new ATOM 0 HG3 GLU A 100 -2.318 -13.842 4.282 1.00 1.41 H new ATOM 1579 N LEU A 101 -0.230 -9.521 2.089 1.00 0.67 N ATOM 1580 CA LEU A 101 0.282 -8.951 0.843 1.00 0.63 C ATOM 1581 C LEU A 101 1.671 -9.524 0.504 1.00 0.58 C ATOM 1582 O LEU A 101 2.522 -9.677 1.382 1.00 0.64 O ATOM 1583 CB LEU A 101 0.332 -7.409 0.913 1.00 0.72 C ATOM 1584 CG LEU A 101 -1.007 -6.713 0.577 1.00 0.91 C ATOM 1585 CD1 LEU A 101 -1.896 -6.490 1.810 1.00 1.65 C ATOM 1586 CD2 LEU A 101 -0.761 -5.347 -0.078 1.00 1.64 C ATOM 0 H LEU A 101 0.431 -9.439 2.862 1.00 0.67 H new ATOM 0 HA LEU A 101 -0.406 -9.230 0.045 1.00 0.63 H new ATOM 0 HB2 LEU A 101 0.641 -7.112 1.915 1.00 0.72 H new ATOM 0 HB3 LEU A 101 1.097 -7.050 0.225 1.00 0.72 H new ATOM 0 HG LEU A 101 -1.523 -7.387 -0.107 1.00 0.91 H new ATOM 0 HD11 LEU A 101 -2.820 -5.998 1.508 1.00 1.65 H new ATOM 0 HD12 LEU A 101 -2.130 -7.451 2.269 1.00 1.65 H new ATOM 0 HD13 LEU A 101 -1.370 -5.863 2.529 1.00 1.65 H new ATOM 0 HD21 LEU A 101 -1.717 -4.875 -0.306 1.00 1.64 H new ATOM 0 HD22 LEU A 101 -0.197 -4.712 0.605 1.00 1.64 H new ATOM 0 HD23 LEU A 101 -0.194 -5.482 -0.999 1.00 1.64 H new ATOM 1598 N ASP A 102 1.880 -9.801 -0.787 1.00 0.56 N ATOM 1599 CA ASP A 102 3.143 -10.245 -1.422 1.00 0.59 C ATOM 1600 C ASP A 102 3.777 -9.036 -2.140 1.00 0.72 C ATOM 1601 O ASP A 102 3.113 -8.410 -2.970 1.00 1.02 O ATOM 1602 CB ASP A 102 2.811 -11.344 -2.460 1.00 0.72 C ATOM 1603 CG ASP A 102 3.846 -12.431 -2.757 1.00 1.71 C ATOM 1604 OD1 ASP A 102 4.666 -12.748 -1.874 1.00 2.40 O ATOM 1605 OD2 ASP A 102 3.737 -12.991 -3.885 1.00 2.87 O ATOM 0 H ASP A 102 1.126 -9.718 -1.469 1.00 0.56 H new ATOM 0 HA ASP A 102 3.834 -10.638 -0.676 1.00 0.59 H new ATOM 0 HB2 ASP A 102 1.899 -11.841 -2.130 1.00 0.72 H new ATOM 0 HB3 ASP A 102 2.580 -10.846 -3.402 1.00 0.72 H new ATOM 1610 N LEU A 103 5.017 -8.658 -1.818 1.00 0.59 N ATOM 1611 CA LEU A 103 5.626 -7.389 -2.235 1.00 0.51 C ATOM 1612 C LEU A 103 6.637 -7.607 -3.370 1.00 0.55 C ATOM 1613 O LEU A 103 7.669 -8.246 -3.172 1.00 0.78 O ATOM 1614 CB LEU A 103 6.313 -6.755 -1.010 1.00 0.55 C ATOM 1615 CG LEU A 103 5.377 -6.142 0.053 1.00 0.64 C ATOM 1616 CD1 LEU A 103 4.350 -7.100 0.673 1.00 0.96 C ATOM 1617 CD2 LEU A 103 6.244 -5.547 1.169 1.00 1.06 C ATOM 0 H LEU A 103 5.638 -9.234 -1.250 1.00 0.59 H new ATOM 0 HA LEU A 103 4.853 -6.722 -2.616 1.00 0.51 H new ATOM 0 HB2 LEU A 103 6.926 -7.517 -0.529 1.00 0.55 H new ATOM 0 HB3 LEU A 103 6.990 -5.976 -1.361 1.00 0.55 H new ATOM 0 HG LEU A 103 4.782 -5.393 -0.471 1.00 0.64 H new ATOM 0 HD11 LEU A 103 3.747 -6.563 1.405 1.00 0.96 H new ATOM 0 HD12 LEU A 103 3.703 -7.496 -0.110 1.00 0.96 H new ATOM 0 HD13 LEU A 103 4.870 -7.923 1.164 1.00 0.96 H new ATOM 0 HD21 LEU A 103 5.603 -5.107 1.933 1.00 1.06 H new ATOM 0 HD22 LEU A 103 6.853 -6.333 1.615 1.00 1.06 H new ATOM 0 HD23 LEU A 103 6.894 -4.777 0.753 1.00 1.06 H new ATOM 1629 N LEU A 104 6.371 -7.035 -4.550 1.00 0.49 N ATOM 1630 CA LEU A 104 7.209 -7.195 -5.745 1.00 0.53 C ATOM 1631 C LEU A 104 8.361 -6.178 -5.729 1.00 0.60 C ATOM 1632 O LEU A 104 8.170 -4.985 -5.996 1.00 0.62 O ATOM 1633 CB LEU A 104 6.324 -7.086 -7.009 1.00 0.61 C ATOM 1634 CG LEU A 104 5.205 -8.146 -7.126 1.00 0.69 C ATOM 1635 CD1 LEU A 104 4.428 -7.978 -8.438 1.00 0.78 C ATOM 1636 CD2 LEU A 104 5.744 -9.583 -7.073 1.00 0.82 C ATOM 0 H LEU A 104 5.557 -6.440 -4.704 1.00 0.49 H new ATOM 0 HA LEU A 104 7.671 -8.182 -5.753 1.00 0.53 H new ATOM 0 HB2 LEU A 104 5.868 -6.096 -7.029 1.00 0.61 H new ATOM 0 HB3 LEU A 104 6.964 -7.159 -7.888 1.00 0.61 H new ATOM 0 HG LEU A 104 4.551 -7.984 -6.269 1.00 0.69 H new ATOM 0 HD11 LEU A 104 3.646 -8.735 -8.497 1.00 0.78 H new ATOM 0 HD12 LEU A 104 3.976 -6.987 -8.469 1.00 0.78 H new ATOM 0 HD13 LEU A 104 5.109 -8.093 -9.281 1.00 0.78 H new ATOM 0 HD21 LEU A 104 4.915 -10.286 -7.159 1.00 0.82 H new ATOM 0 HD22 LEU A 104 6.441 -9.741 -7.896 1.00 0.82 H new ATOM 0 HD23 LEU A 104 6.259 -9.744 -6.126 1.00 0.82 H new ATOM 1648 N PHE A 105 9.570 -6.661 -5.432 1.00 0.72 N ATOM 1649 CA PHE A 105 10.803 -5.885 -5.342 1.00 0.88 C ATOM 1650 C PHE A 105 11.676 -6.087 -6.585 1.00 1.03 C ATOM 1651 O PHE A 105 12.313 -7.127 -6.763 1.00 1.59 O ATOM 1652 CB PHE A 105 11.548 -6.292 -4.069 1.00 0.96 C ATOM 1653 CG PHE A 105 10.854 -5.861 -2.794 1.00 0.87 C ATOM 1654 CD1 PHE A 105 10.743 -4.490 -2.486 1.00 1.77 C ATOM 1655 CD2 PHE A 105 10.349 -6.821 -1.898 1.00 2.08 C ATOM 1656 CE1 PHE A 105 10.182 -4.086 -1.266 1.00 1.80 C ATOM 1657 CE2 PHE A 105 9.784 -6.415 -0.680 1.00 2.04 C ATOM 1658 CZ PHE A 105 9.717 -5.050 -0.355 1.00 0.84 C ATOM 0 H PHE A 105 9.720 -7.651 -5.239 1.00 0.72 H new ATOM 0 HA PHE A 105 10.561 -4.823 -5.295 1.00 0.88 H new ATOM 0 HB2 PHE A 105 11.667 -7.375 -4.059 1.00 0.96 H new ATOM 0 HB3 PHE A 105 12.549 -5.861 -4.091 1.00 0.96 H new ATOM 0 HD1 PHE A 105 11.091 -3.749 -3.191 1.00 1.77 H new ATOM 0 HD2 PHE A 105 10.396 -7.871 -2.148 1.00 2.08 H new ATOM 0 HE1 PHE A 105 10.107 -3.035 -1.027 1.00 1.80 H new ATOM 0 HE2 PHE A 105 9.400 -7.153 0.009 1.00 2.04 H new ATOM 0 HZ PHE A 105 9.308 -4.741 0.596 1.00 0.84 H new ATOM 1668 N ALA A 106 11.711 -5.055 -7.436 1.00 0.71 N ATOM 1669 CA ALA A 106 12.506 -4.965 -8.667 1.00 0.77 C ATOM 1670 C ALA A 106 12.241 -6.117 -9.664 1.00 1.41 C ATOM 1671 O ALA A 106 13.088 -6.430 -10.497 1.00 2.33 O ATOM 1672 CB ALA A 106 13.988 -4.805 -8.286 1.00 1.80 C ATOM 0 H ALA A 106 11.156 -4.215 -7.276 1.00 0.71 H new ATOM 0 HA ALA A 106 12.191 -4.082 -9.222 1.00 0.77 H new ATOM 0 HB1 ALA A 106 14.591 -4.737 -9.191 1.00 1.80 H new ATOM 0 HB2 ALA A 106 14.116 -3.898 -7.696 1.00 1.80 H new ATOM 0 HB3 ALA A 106 14.308 -5.667 -7.701 1.00 1.80 H new ATOM 1678 N GLY A 107 11.091 -6.791 -9.540 1.00 2.47 N ATOM 1679 CA GLY A 107 10.742 -8.015 -10.267 1.00 3.57 C ATOM 1680 C GLY A 107 11.433 -9.255 -9.692 1.00 2.76 C ATOM 1681 O GLY A 107 10.756 -10.203 -9.315 1.00 4.04 O ATOM 0 H GLY A 107 10.352 -6.487 -8.907 1.00 2.47 H new ATOM 0 HA2 GLY A 107 9.662 -8.157 -10.235 1.00 3.57 H new ATOM 0 HA3 GLY A 107 11.018 -7.902 -11.315 1.00 3.57 H new ATOM 1685 N GLY A 108 12.770 -9.243 -9.618 1.00 1.26 N ATOM 1686 CA GLY A 108 13.590 -10.425 -9.303 1.00 1.59 C ATOM 1687 C GLY A 108 13.559 -10.899 -7.845 1.00 1.52 C ATOM 1688 O GLY A 108 14.057 -11.984 -7.557 1.00 2.00 O ATOM 0 H GLY A 108 13.323 -8.401 -9.777 1.00 1.26 H new ATOM 0 HA2 GLY A 108 13.263 -11.248 -9.938 1.00 1.59 H new ATOM 0 HA3 GLY A 108 14.624 -10.207 -9.571 1.00 1.59 H new ATOM 1692 N LYS A 109 12.979 -10.119 -6.927 1.00 1.05 N ATOM 1693 CA LYS A 109 12.720 -10.508 -5.536 1.00 0.92 C ATOM 1694 C LYS A 109 11.234 -10.321 -5.176 1.00 0.82 C ATOM 1695 O LYS A 109 10.593 -9.358 -5.583 1.00 0.83 O ATOM 1696 CB LYS A 109 13.621 -9.697 -4.576 1.00 1.01 C ATOM 1697 CG LYS A 109 15.016 -10.322 -4.401 1.00 1.41 C ATOM 1698 CD LYS A 109 15.930 -9.446 -3.523 1.00 2.17 C ATOM 1699 CE LYS A 109 17.271 -10.148 -3.238 1.00 3.36 C ATOM 1700 NZ LYS A 109 18.170 -9.319 -2.394 1.00 4.69 N ATOM 0 H LYS A 109 12.667 -9.171 -7.137 1.00 1.05 H new ATOM 0 HA LYS A 109 12.959 -11.566 -5.428 1.00 0.92 H new ATOM 0 HB2 LYS A 109 13.728 -8.681 -4.956 1.00 1.01 H new ATOM 0 HB3 LYS A 109 13.135 -9.624 -3.603 1.00 1.01 H new ATOM 0 HG2 LYS A 109 14.918 -11.310 -3.951 1.00 1.41 H new ATOM 0 HG3 LYS A 109 15.477 -10.462 -5.379 1.00 1.41 H new ATOM 0 HD2 LYS A 109 16.114 -8.494 -4.022 1.00 2.17 H new ATOM 0 HD3 LYS A 109 15.428 -9.221 -2.582 1.00 2.17 H new ATOM 0 HE2 LYS A 109 17.083 -11.099 -2.740 1.00 3.36 H new ATOM 0 HE3 LYS A 109 17.768 -10.375 -4.181 1.00 3.36 H new ATOM 0 HZ1 LYS A 109 18.867 -9.931 -1.924 1.00 4.69 H new ATOM 0 HZ2 LYS A 109 18.665 -8.626 -2.991 1.00 4.69 H new ATOM 0 HZ3 LYS A 109 17.608 -8.819 -1.676 1.00 4.69 H new ATOM 1714 N VAL A 110 10.728 -11.221 -4.333 1.00 0.83 N ATOM 1715 CA VAL A 110 9.392 -11.180 -3.736 1.00 0.78 C ATOM 1716 C VAL A 110 9.429 -11.718 -2.303 1.00 0.80 C ATOM 1717 O VAL A 110 10.240 -12.593 -1.992 1.00 0.93 O ATOM 1718 CB VAL A 110 8.380 -11.935 -4.622 1.00 0.90 C ATOM 1719 CG1 VAL A 110 8.642 -13.451 -4.700 1.00 1.92 C ATOM 1720 CG2 VAL A 110 6.929 -11.685 -4.189 1.00 1.71 C ATOM 0 H VAL A 110 11.263 -12.036 -4.034 1.00 0.83 H new ATOM 0 HA VAL A 110 9.057 -10.144 -3.681 1.00 0.78 H new ATOM 0 HB VAL A 110 8.528 -11.524 -5.621 1.00 0.90 H new ATOM 0 HG11 VAL A 110 7.893 -13.917 -5.339 1.00 1.92 H new ATOM 0 HG12 VAL A 110 9.634 -13.628 -5.115 1.00 1.92 H new ATOM 0 HG13 VAL A 110 8.585 -13.882 -3.700 1.00 1.92 H new ATOM 0 HG21 VAL A 110 6.254 -12.238 -4.843 1.00 1.71 H new ATOM 0 HG22 VAL A 110 6.793 -12.020 -3.161 1.00 1.71 H new ATOM 0 HG23 VAL A 110 6.708 -10.620 -4.256 1.00 1.71 H new ATOM 1730 N LEU A 111 8.583 -11.151 -1.438 1.00 0.78 N ATOM 1731 CA LEU A 111 8.491 -11.420 -0.002 1.00 0.88 C ATOM 1732 C LEU A 111 7.083 -11.045 0.466 1.00 0.71 C ATOM 1733 O LEU A 111 6.621 -9.956 0.133 1.00 0.91 O ATOM 1734 CB LEU A 111 9.581 -10.583 0.704 1.00 1.17 C ATOM 1735 CG LEU A 111 9.584 -10.650 2.249 1.00 1.35 C ATOM 1736 CD1 LEU A 111 11.020 -10.505 2.778 1.00 1.89 C ATOM 1737 CD2 LEU A 111 8.732 -9.538 2.887 1.00 2.07 C ATOM 0 H LEU A 111 7.905 -10.451 -1.740 1.00 0.78 H new ATOM 0 HA LEU A 111 8.655 -12.471 0.234 1.00 0.88 H new ATOM 0 HB2 LEU A 111 10.556 -10.911 0.343 1.00 1.17 H new ATOM 0 HB3 LEU A 111 9.464 -9.542 0.404 1.00 1.17 H new ATOM 0 HG LEU A 111 9.158 -11.616 2.519 1.00 1.35 H new ATOM 0 HD11 LEU A 111 11.013 -10.553 3.867 1.00 1.89 H new ATOM 0 HD12 LEU A 111 11.637 -11.312 2.383 1.00 1.89 H new ATOM 0 HD13 LEU A 111 11.430 -9.546 2.460 1.00 1.89 H new ATOM 0 HD21 LEU A 111 8.768 -9.630 3.973 1.00 2.07 H new ATOM 0 HD22 LEU A 111 9.124 -8.565 2.592 1.00 2.07 H new ATOM 0 HD23 LEU A 111 7.700 -9.631 2.549 1.00 2.07 H new ATOM 1749 N LYS A 112 6.420 -11.881 1.272 1.00 0.81 N ATOM 1750 CA LYS A 112 5.100 -11.538 1.823 1.00 0.80 C ATOM 1751 C LYS A 112 5.134 -11.053 3.281 1.00 0.81 C ATOM 1752 O LYS A 112 6.005 -11.433 4.062 1.00 1.00 O ATOM 1753 CB LYS A 112 4.084 -12.671 1.594 1.00 1.20 C ATOM 1754 CG LYS A 112 4.255 -13.921 2.466 1.00 1.41 C ATOM 1755 CD LYS A 112 3.067 -14.857 2.212 1.00 1.58 C ATOM 1756 CE LYS A 112 3.095 -16.072 3.144 1.00 2.11 C ATOM 1757 NZ LYS A 112 1.799 -16.787 3.097 1.00 2.56 N ATOM 0 H LYS A 112 6.771 -12.795 1.557 1.00 0.81 H new ATOM 0 HA LYS A 112 4.756 -10.671 1.259 1.00 0.80 H new ATOM 0 HB2 LYS A 112 3.083 -12.272 1.760 1.00 1.20 H new ATOM 0 HB3 LYS A 112 4.138 -12.973 0.548 1.00 1.20 H new ATOM 0 HG2 LYS A 112 5.192 -14.424 2.227 1.00 1.41 H new ATOM 0 HG3 LYS A 112 4.301 -13.645 3.519 1.00 1.41 H new ATOM 0 HD2 LYS A 112 2.135 -14.310 2.355 1.00 1.58 H new ATOM 0 HD3 LYS A 112 3.083 -15.193 1.175 1.00 1.58 H new ATOM 0 HE2 LYS A 112 3.900 -16.745 2.850 1.00 2.11 H new ATOM 0 HE3 LYS A 112 3.304 -15.751 4.165 1.00 2.11 H new ATOM 0 HZ1 LYS A 112 1.232 -16.533 3.931 1.00 2.56 H new ATOM 0 HZ2 LYS A 112 1.285 -16.517 2.234 1.00 2.56 H new ATOM 0 HZ3 LYS A 112 1.969 -17.813 3.093 1.00 2.56 H new ATOM 1771 N VAL A 113 4.132 -10.252 3.635 1.00 0.72 N ATOM 1772 CA VAL A 113 3.863 -9.729 4.982 1.00 0.77 C ATOM 1773 C VAL A 113 2.356 -9.859 5.265 1.00 0.72 C ATOM 1774 O VAL A 113 1.570 -9.952 4.324 1.00 0.78 O ATOM 1775 CB VAL A 113 4.318 -8.251 5.135 1.00 0.91 C ATOM 1776 CG1 VAL A 113 4.699 -7.981 6.594 1.00 1.68 C ATOM 1777 CG2 VAL A 113 5.529 -7.836 4.277 1.00 1.98 C ATOM 0 H VAL A 113 3.444 -9.929 2.955 1.00 0.72 H new ATOM 0 HA VAL A 113 4.436 -10.311 5.704 1.00 0.77 H new ATOM 0 HB VAL A 113 3.463 -7.668 4.792 1.00 0.91 H new ATOM 0 HG11 VAL A 113 5.018 -6.944 6.701 1.00 1.68 H new ATOM 0 HG12 VAL A 113 3.836 -8.163 7.235 1.00 1.68 H new ATOM 0 HG13 VAL A 113 5.514 -8.643 6.886 1.00 1.68 H new ATOM 0 HG21 VAL A 113 5.762 -6.787 4.460 1.00 1.98 H new ATOM 0 HG22 VAL A 113 6.390 -8.451 4.541 1.00 1.98 H new ATOM 0 HG23 VAL A 113 5.293 -7.976 3.222 1.00 1.98 H new ATOM 1787 N VAL A 114 1.950 -9.860 6.539 1.00 0.78 N ATOM 1788 CA VAL A 114 0.546 -10.021 6.959 1.00 0.77 C ATOM 1789 C VAL A 114 0.166 -8.921 7.948 1.00 0.76 C ATOM 1790 O VAL A 114 0.887 -8.662 8.908 1.00 1.12 O ATOM 1791 CB VAL A 114 0.261 -11.436 7.513 1.00 1.14 C ATOM 1792 CG1 VAL A 114 1.074 -11.795 8.771 1.00 2.08 C ATOM 1793 CG2 VAL A 114 -1.241 -11.637 7.771 1.00 2.39 C ATOM 0 H VAL A 114 2.594 -9.748 7.322 1.00 0.78 H new ATOM 0 HA VAL A 114 -0.088 -9.916 6.079 1.00 0.77 H new ATOM 0 HB VAL A 114 0.591 -12.123 6.733 1.00 1.14 H new ATOM 0 HG11 VAL A 114 0.816 -12.803 9.096 1.00 2.08 H new ATOM 0 HG12 VAL A 114 2.139 -11.749 8.541 1.00 2.08 H new ATOM 0 HG13 VAL A 114 0.844 -11.087 9.567 1.00 2.08 H new ATOM 0 HG21 VAL A 114 -1.412 -12.641 8.160 1.00 2.39 H new ATOM 0 HG22 VAL A 114 -1.587 -10.902 8.498 1.00 2.39 H new ATOM 0 HG23 VAL A 114 -1.790 -11.511 6.838 1.00 2.39 H new ATOM 1803 N LEU A 115 -0.948 -8.243 7.659 1.00 0.64 N ATOM 1804 CA LEU A 115 -1.364 -7.009 8.319 1.00 0.71 C ATOM 1805 C LEU A 115 -2.878 -7.009 8.615 1.00 0.68 C ATOM 1806 O LEU A 115 -3.662 -7.513 7.798 1.00 0.84 O ATOM 1807 CB LEU A 115 -0.942 -5.762 7.510 1.00 1.09 C ATOM 1808 CG LEU A 115 -1.076 -5.775 5.970 1.00 0.99 C ATOM 1809 CD1 LEU A 115 -1.137 -4.321 5.476 1.00 1.97 C ATOM 1810 CD2 LEU A 115 0.127 -6.449 5.288 1.00 1.75 C ATOM 0 H LEU A 115 -1.602 -8.549 6.938 1.00 0.64 H new ATOM 0 HA LEU A 115 -0.846 -6.962 9.277 1.00 0.71 H new ATOM 0 HB2 LEU A 115 -1.524 -4.919 7.882 1.00 1.09 H new ATOM 0 HB3 LEU A 115 0.102 -5.557 7.746 1.00 1.09 H new ATOM 0 HG LEU A 115 -1.976 -6.336 5.719 1.00 0.99 H new ATOM 0 HD11 LEU A 115 -1.232 -4.309 4.390 1.00 1.97 H new ATOM 0 HD12 LEU A 115 -1.998 -3.821 5.921 1.00 1.97 H new ATOM 0 HD13 LEU A 115 -0.225 -3.800 5.766 1.00 1.97 H new ATOM 0 HD21 LEU A 115 -0.012 -6.434 4.207 1.00 1.75 H new ATOM 0 HD22 LEU A 115 1.039 -5.910 5.544 1.00 1.75 H new ATOM 0 HD23 LEU A 115 0.208 -7.481 5.629 1.00 1.75 H new ATOM 1822 N PRO A 116 -3.302 -6.423 9.752 1.00 0.61 N ATOM 1823 CA PRO A 116 -4.705 -6.294 10.107 1.00 0.65 C ATOM 1824 C PRO A 116 -5.488 -5.438 9.112 1.00 0.67 C ATOM 1825 O PRO A 116 -4.963 -4.559 8.432 1.00 0.74 O ATOM 1826 CB PRO A 116 -4.743 -5.706 11.525 1.00 0.70 C ATOM 1827 CG PRO A 116 -3.399 -4.993 11.648 1.00 0.59 C ATOM 1828 CD PRO A 116 -2.483 -5.906 10.841 1.00 0.58 C ATOM 0 HA PRO A 116 -5.194 -7.268 10.075 1.00 0.65 H new ATOM 0 HB2 PRO A 116 -5.577 -5.016 11.652 1.00 0.70 H new ATOM 0 HB3 PRO A 116 -4.856 -6.484 12.280 1.00 0.70 H new ATOM 0 HG2 PRO A 116 -3.433 -3.984 11.238 1.00 0.59 H new ATOM 0 HG3 PRO A 116 -3.077 -4.905 12.686 1.00 0.59 H new ATOM 0 HD2 PRO A 116 -1.623 -5.358 10.458 1.00 0.58 H new ATOM 0 HD3 PRO A 116 -2.095 -6.716 11.458 1.00 0.58 H new ATOM 1836 N VAL A 117 -6.789 -5.675 9.063 1.00 0.69 N ATOM 1837 CA VAL A 117 -7.759 -4.790 8.434 1.00 0.73 C ATOM 1838 C VAL A 117 -8.272 -3.829 9.512 1.00 0.83 C ATOM 1839 O VAL A 117 -8.774 -4.277 10.536 1.00 0.88 O ATOM 1840 CB VAL A 117 -8.920 -5.607 7.843 1.00 0.71 C ATOM 1841 CG1 VAL A 117 -9.960 -4.690 7.184 1.00 0.78 C ATOM 1842 CG2 VAL A 117 -8.449 -6.632 6.800 1.00 0.70 C ATOM 0 H VAL A 117 -7.212 -6.509 9.470 1.00 0.69 H new ATOM 0 HA VAL A 117 -7.299 -4.233 7.618 1.00 0.73 H new ATOM 0 HB VAL A 117 -9.365 -6.142 8.682 1.00 0.71 H new ATOM 0 HG11 VAL A 117 -10.770 -5.294 6.774 1.00 0.78 H new ATOM 0 HG12 VAL A 117 -10.361 -4.001 7.928 1.00 0.78 H new ATOM 0 HG13 VAL A 117 -9.488 -4.123 6.381 1.00 0.78 H new ATOM 0 HG21 VAL A 117 -9.309 -7.181 6.415 1.00 0.70 H new ATOM 0 HG22 VAL A 117 -7.952 -6.114 5.979 1.00 0.70 H new ATOM 0 HG23 VAL A 117 -7.751 -7.329 7.264 1.00 0.70 H new ATOM 1852 N GLU A 118 -8.171 -2.525 9.263 1.00 0.95 N ATOM 1853 CA GLU A 118 -8.686 -1.445 10.107 1.00 1.02 C ATOM 1854 C GLU A 118 -8.984 -0.199 9.265 1.00 1.53 C ATOM 1855 O GLU A 118 -8.581 -0.099 8.106 1.00 1.85 O ATOM 1856 CB GLU A 118 -7.710 -1.106 11.254 1.00 1.00 C ATOM 1857 CG GLU A 118 -8.128 -1.723 12.595 1.00 1.71 C ATOM 1858 CD GLU A 118 -9.400 -1.113 13.206 1.00 2.80 C ATOM 1859 OE1 GLU A 118 -10.211 -0.527 12.448 1.00 3.94 O ATOM 1860 OE2 GLU A 118 -9.556 -1.255 14.436 1.00 3.66 O ATOM 0 H GLU A 118 -7.705 -2.174 8.426 1.00 0.95 H new ATOM 0 HA GLU A 118 -9.616 -1.792 10.558 1.00 1.02 H new ATOM 0 HB2 GLU A 118 -6.713 -1.460 10.992 1.00 1.00 H new ATOM 0 HB3 GLU A 118 -7.646 -0.023 11.362 1.00 1.00 H new ATOM 0 HG2 GLU A 118 -8.283 -2.793 12.456 1.00 1.71 H new ATOM 0 HG3 GLU A 118 -7.308 -1.609 13.304 1.00 1.71 H new ATOM 1867 N ALA A 119 -9.695 0.764 9.841 1.00 1.84 N ATOM 1868 CA ALA A 119 -10.295 1.847 9.071 1.00 2.32 C ATOM 1869 C ALA A 119 -9.289 2.929 8.603 1.00 2.93 C ATOM 1870 O ALA A 119 -8.258 3.188 9.230 1.00 3.80 O ATOM 1871 CB ALA A 119 -11.432 2.444 9.911 1.00 2.89 C ATOM 0 H ALA A 119 -9.870 0.816 10.844 1.00 1.84 H new ATOM 0 HA ALA A 119 -10.680 1.432 8.139 1.00 2.32 H new ATOM 0 HB1 ALA A 119 -11.902 3.259 9.360 1.00 2.89 H new ATOM 0 HB2 ALA A 119 -12.173 1.673 10.120 1.00 2.89 H new ATOM 0 HB3 ALA A 119 -11.030 2.825 10.850 1.00 2.89 H new ATOM 1877 N ARG A 120 -9.617 3.592 7.484 1.00 2.95 N ATOM 1878 CA ARG A 120 -8.998 4.810 6.986 1.00 3.54 C ATOM 1879 C ARG A 120 -9.972 5.818 6.373 1.00 3.52 C ATOM 1880 O ARG A 120 -10.557 5.525 5.306 1.00 4.12 O ATOM 1881 CB ARG A 120 -7.925 4.376 5.998 1.00 4.71 C ATOM 1882 CG ARG A 120 -6.928 5.492 5.784 1.00 5.77 C ATOM 1883 CD ARG A 120 -7.327 6.569 4.755 1.00 6.81 C ATOM 1884 NE ARG A 120 -6.630 7.843 4.976 1.00 7.71 N ATOM 1885 CZ ARG A 120 -6.963 8.798 5.826 1.00 7.89 C ATOM 1886 NH1 ARG A 120 -7.972 8.749 6.641 1.00 7.30 N ATOM 1887 NH2 ARG A 120 -6.255 9.886 5.873 1.00 9.15 N ATOM 1888 OXT ARG A 120 -9.957 6.966 6.845 1.00 3.92 O ATOM 0 H ARG A 120 -10.366 3.266 6.873 1.00 2.95 H new ATOM 0 HA ARG A 120 -8.574 5.361 7.826 1.00 3.54 H new ATOM 0 HB2 ARG A 120 -7.414 3.489 6.372 1.00 4.71 H new ATOM 0 HB3 ARG A 120 -8.385 4.102 5.048 1.00 4.71 H new ATOM 0 HG2 ARG A 120 -6.750 5.981 6.742 1.00 5.77 H new ATOM 0 HG3 ARG A 120 -5.982 5.051 5.470 1.00 5.77 H new ATOM 0 HD2 ARG A 120 -7.106 6.207 3.751 1.00 6.81 H new ATOM 0 HD3 ARG A 120 -8.403 6.734 4.805 1.00 6.81 H new ATOM 0 HE ARG A 120 -5.797 8.009 4.411 1.00 7.71 H new ATOM 0 HH11 ARG A 120 -8.577 7.928 6.655 1.00 7.30 H new ATOM 0 HH12 ARG A 120 -8.160 9.532 7.267 1.00 7.30 H new ATOM 0 HH21 ARG A 120 -5.450 9.997 5.257 1.00 9.15 H new ATOM 0 HH22 ARG A 120 -6.504 10.629 6.526 1.00 9.15 H new