USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 926 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 HIS : no HE2:sc= -0.814 K(o=0.18,f=-0.43) USER MOD Set 1.2: A 48 THR OG1 : rot 12:sc= 0.503 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.49 K(o=0.18,f=-3.3!) USER MOD Single : A 11 SER OG : rot -150:sc= 0.675 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 146:sc= 1.02 USER MOD Single : A 24 ASN : amide:sc= -0.574 K(o=-0.57,f=-6.8!) USER MOD Single : A 37 THR OG1 : rot 140:sc= -0.791 USER MOD Single : A 50 MET CE :methyl 160:sc= -0.265 (180deg=-0.852) USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 1.01 (180deg=0.688!) USER MOD Single : A 57 LYS NZ :NH3+ -113:sc= 1.25 (180deg=-0.189) USER MOD Single : A 59 MET CE :methyl -149:sc= 0 (180deg=-0.595) USER MOD Single : A 61 MET CE :methyl -169:sc= -0.0169 (180deg=-0.188) USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.18) USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= -0.158 (180deg=-0.229) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -166:sc= 1.46 (180deg=1.33) USER MOD Single : A 94 LYS NZ :NH3+ -145:sc= 0.997 (180deg=-2!) USER MOD Single : A 109 LYS NZ :NH3+ -172:sc= -0.211 (180deg=-0.244) USER MOD Single : A 112 LYS NZ :NH3+ -165:sc= 1.2 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.792 1.147 6.427 1.00 1.24 N ATOM 56 CA GLU A 5 8.923 1.536 7.543 1.00 1.18 C ATOM 57 C GLU A 5 7.423 1.485 7.177 1.00 1.05 C ATOM 58 O GLU A 5 6.711 2.491 7.184 1.00 1.35 O ATOM 59 CB GLU A 5 9.422 2.890 8.091 1.00 2.21 C ATOM 60 CG GLU A 5 9.403 4.038 7.074 1.00 3.29 C ATOM 61 CD GLU A 5 10.365 5.154 7.459 1.00 4.11 C ATOM 62 OE1 GLU A 5 11.592 4.982 7.296 1.00 4.59 O ATOM 63 OE2 GLU A 5 9.884 6.247 7.825 1.00 4.96 O ATOM 0 HA GLU A 5 8.993 0.808 8.351 1.00 1.18 H new ATOM 0 HB2 GLU A 5 8.807 3.170 8.946 1.00 2.21 H new ATOM 0 HB3 GLU A 5 10.440 2.765 8.459 1.00 2.21 H new ATOM 0 HG2 GLU A 5 9.668 3.654 6.089 1.00 3.29 H new ATOM 0 HG3 GLU A 5 8.392 4.440 6.999 1.00 3.29 H new ATOM 70 N GLY A 6 6.943 0.292 6.805 1.00 0.99 N ATOM 71 CA GLY A 6 5.538 0.005 6.477 1.00 0.97 C ATOM 72 C GLY A 6 5.069 -1.359 6.988 1.00 0.82 C ATOM 73 O GLY A 6 5.854 -2.107 7.571 1.00 0.99 O ATOM 0 H GLY A 6 7.542 -0.530 6.721 1.00 0.99 H new ATOM 0 HA2 GLY A 6 4.905 0.783 6.904 1.00 0.97 H new ATOM 0 HA3 GLY A 6 5.408 0.046 5.396 1.00 0.97 H new ATOM 77 N TRP A 7 3.799 -1.702 6.740 1.00 0.82 N ATOM 78 CA TRP A 7 3.146 -2.905 7.289 1.00 0.78 C ATOM 79 C TRP A 7 1.954 -3.431 6.461 1.00 0.70 C ATOM 80 O TRP A 7 1.475 -2.785 5.527 1.00 0.73 O ATOM 81 CB TRP A 7 2.721 -2.608 8.737 1.00 1.00 C ATOM 82 CG TRP A 7 1.828 -1.419 8.933 1.00 1.23 C ATOM 83 CD1 TRP A 7 0.499 -1.372 8.687 1.00 1.81 C ATOM 84 CD2 TRP A 7 2.174 -0.108 9.485 1.00 1.40 C ATOM 85 NE1 TRP A 7 0.004 -0.127 9.033 1.00 2.08 N ATOM 86 CE2 TRP A 7 0.983 0.669 9.584 1.00 1.81 C ATOM 87 CE3 TRP A 7 3.368 0.485 9.955 1.00 1.73 C ATOM 88 CZ2 TRP A 7 0.961 1.938 10.179 1.00 2.16 C ATOM 89 CZ3 TRP A 7 3.367 1.782 10.505 1.00 2.29 C ATOM 90 CH2 TRP A 7 2.166 2.505 10.632 1.00 2.39 C ATOM 0 H TRP A 7 3.185 -1.147 6.145 1.00 0.82 H new ATOM 0 HA TRP A 7 3.878 -3.712 7.249 1.00 0.78 H new ATOM 0 HB2 TRP A 7 2.213 -3.487 9.132 1.00 1.00 H new ATOM 0 HB3 TRP A 7 3.620 -2.464 9.336 1.00 1.00 H new ATOM 0 HD1 TRP A 7 -0.087 -2.183 8.282 1.00 1.81 H new ATOM 0 HE1 TRP A 7 -0.964 0.164 8.897 1.00 2.08 H new ATOM 0 HE3 TRP A 7 4.295 -0.065 9.891 1.00 1.73 H new ATOM 0 HZ2 TRP A 7 0.030 2.474 10.288 1.00 2.16 H new ATOM 0 HZ3 TRP A 7 4.296 2.225 10.832 1.00 2.29 H new ATOM 0 HH2 TRP A 7 2.170 3.490 11.075 1.00 2.39 H new ATOM 101 N VAL A 8 1.485 -4.634 6.814 1.00 0.83 N ATOM 102 CA VAL A 8 0.238 -5.271 6.329 1.00 0.89 C ATOM 103 C VAL A 8 -0.830 -5.213 7.436 1.00 1.08 C ATOM 104 O VAL A 8 -0.491 -5.427 8.596 1.00 1.34 O ATOM 105 CB VAL A 8 0.467 -6.751 5.925 1.00 1.03 C ATOM 106 CG1 VAL A 8 -0.798 -7.393 5.322 1.00 1.22 C ATOM 107 CG2 VAL A 8 1.613 -6.902 4.909 1.00 1.03 C ATOM 0 H VAL A 8 1.984 -5.225 7.478 1.00 0.83 H new ATOM 0 HA VAL A 8 -0.094 -4.724 5.446 1.00 0.89 H new ATOM 0 HB VAL A 8 0.729 -7.265 6.850 1.00 1.03 H new ATOM 0 HG11 VAL A 8 -0.588 -8.429 5.055 1.00 1.22 H new ATOM 0 HG12 VAL A 8 -1.605 -7.363 6.054 1.00 1.22 H new ATOM 0 HG13 VAL A 8 -1.096 -6.841 4.430 1.00 1.22 H new ATOM 0 HG21 VAL A 8 1.738 -7.955 4.655 1.00 1.03 H new ATOM 0 HG22 VAL A 8 1.377 -6.337 4.008 1.00 1.03 H new ATOM 0 HG23 VAL A 8 2.537 -6.522 5.344 1.00 1.03 H new ATOM 117 N ARG A 9 -2.096 -4.952 7.063 1.00 1.13 N ATOM 118 CA ARG A 9 -3.258 -4.731 7.953 1.00 1.39 C ATOM 119 C ARG A 9 -3.797 -5.990 8.669 1.00 1.54 C ATOM 120 O ARG A 9 -4.594 -5.838 9.591 1.00 3.01 O ATOM 121 CB ARG A 9 -4.352 -4.045 7.094 1.00 1.63 C ATOM 122 CG ARG A 9 -5.687 -3.592 7.736 1.00 1.93 C ATOM 123 CD ARG A 9 -6.670 -4.741 8.039 1.00 2.63 C ATOM 124 NE ARG A 9 -8.060 -4.478 7.630 1.00 3.77 N ATOM 125 CZ ARG A 9 -8.978 -5.422 7.434 1.00 4.91 C ATOM 126 NH1 ARG A 9 -8.706 -6.711 7.525 1.00 5.46 N ATOM 127 NH2 ARG A 9 -10.215 -5.087 7.143 1.00 6.12 N ATOM 0 H ARG A 9 -2.354 -4.885 6.078 1.00 1.13 H new ATOM 0 HA ARG A 9 -2.935 -4.104 8.784 1.00 1.39 H new ATOM 0 HB2 ARG A 9 -3.899 -3.164 6.639 1.00 1.63 H new ATOM 0 HB3 ARG A 9 -4.601 -4.730 6.283 1.00 1.63 H new ATOM 0 HG2 ARG A 9 -5.469 -3.063 8.663 1.00 1.93 H new ATOM 0 HG3 ARG A 9 -6.174 -2.880 7.069 1.00 1.93 H new ATOM 0 HD2 ARG A 9 -6.321 -5.643 7.536 1.00 2.63 H new ATOM 0 HD3 ARG A 9 -6.652 -4.945 9.110 1.00 2.63 H new ATOM 0 HE ARG A 9 -8.338 -3.507 7.487 1.00 3.77 H new ATOM 0 HH11 ARG A 9 -7.761 -7.018 7.754 1.00 5.46 H new ATOM 0 HH12 ARG A 9 -9.441 -7.400 7.367 1.00 5.46 H new ATOM 0 HH21 ARG A 9 -10.472 -4.103 7.067 1.00 6.12 H new ATOM 0 HH22 ARG A 9 -10.918 -5.811 6.993 1.00 6.12 H new ATOM 141 N PHE A 10 -3.465 -7.209 8.205 1.00 0.88 N ATOM 142 CA PHE A 10 -3.913 -8.526 8.708 1.00 0.82 C ATOM 143 C PHE A 10 -5.328 -8.882 8.193 1.00 0.74 C ATOM 144 O PHE A 10 -6.279 -8.099 8.252 1.00 0.86 O ATOM 145 CB PHE A 10 -3.707 -8.667 10.241 1.00 1.04 C ATOM 146 CG PHE A 10 -4.324 -9.842 10.977 1.00 1.08 C ATOM 147 CD1 PHE A 10 -4.441 -11.110 10.387 1.00 2.14 C ATOM 148 CD2 PHE A 10 -4.756 -9.660 12.306 1.00 2.27 C ATOM 149 CE1 PHE A 10 -5.051 -12.163 11.087 1.00 2.12 C ATOM 150 CE2 PHE A 10 -5.341 -10.722 13.018 1.00 2.49 C ATOM 151 CZ PHE A 10 -5.502 -11.974 12.403 1.00 1.47 C ATOM 0 H PHE A 10 -2.831 -7.309 7.412 1.00 0.88 H new ATOM 0 HA PHE A 10 -3.267 -9.294 8.284 1.00 0.82 H new ATOM 0 HB2 PHE A 10 -2.633 -8.696 10.424 1.00 1.04 H new ATOM 0 HB3 PHE A 10 -4.085 -7.756 10.706 1.00 1.04 H new ATOM 0 HD1 PHE A 10 -4.060 -11.276 9.390 1.00 2.14 H new ATOM 0 HD2 PHE A 10 -4.637 -8.698 12.781 1.00 2.27 H new ATOM 0 HE1 PHE A 10 -5.174 -13.124 10.610 1.00 2.12 H new ATOM 0 HE2 PHE A 10 -5.666 -10.575 14.037 1.00 2.49 H new ATOM 0 HZ PHE A 10 -5.970 -12.787 12.939 1.00 1.47 H new ATOM 161 N SER A 11 -5.437 -10.093 7.642 1.00 0.76 N ATOM 162 CA SER A 11 -6.632 -10.791 7.160 1.00 0.76 C ATOM 163 C SER A 11 -6.204 -12.207 6.716 1.00 0.84 C ATOM 164 O SER A 11 -5.110 -12.328 6.153 1.00 1.10 O ATOM 165 CB SER A 11 -7.267 -10.051 5.976 1.00 1.09 C ATOM 166 OG SER A 11 -8.601 -10.476 5.780 1.00 2.11 O ATOM 0 H SER A 11 -4.605 -10.668 7.509 1.00 0.76 H new ATOM 0 HA SER A 11 -7.373 -10.837 7.958 1.00 0.76 H new ATOM 0 HB2 SER A 11 -7.245 -8.977 6.158 1.00 1.09 H new ATOM 0 HB3 SER A 11 -6.685 -10.233 5.072 1.00 1.09 H new ATOM 0 HG SER A 11 -8.830 -10.408 4.829 1.00 2.11 H new ATOM 172 N PRO A 12 -7.016 -13.261 6.936 1.00 0.93 N ATOM 173 CA PRO A 12 -6.716 -14.609 6.454 1.00 1.17 C ATOM 174 C PRO A 12 -7.044 -14.786 4.965 1.00 1.03 C ATOM 175 O PRO A 12 -6.442 -15.614 4.288 1.00 1.23 O ATOM 176 CB PRO A 12 -7.597 -15.520 7.309 1.00 1.44 C ATOM 177 CG PRO A 12 -8.832 -14.667 7.597 1.00 1.35 C ATOM 178 CD PRO A 12 -8.248 -13.260 7.718 1.00 1.07 C ATOM 0 HA PRO A 12 -5.653 -14.834 6.541 1.00 1.17 H new ATOM 0 HB2 PRO A 12 -7.858 -16.436 6.779 1.00 1.44 H new ATOM 0 HB3 PRO A 12 -7.092 -15.816 8.228 1.00 1.44 H new ATOM 0 HG2 PRO A 12 -9.566 -14.733 6.794 1.00 1.35 H new ATOM 0 HG3 PRO A 12 -9.334 -14.977 8.514 1.00 1.35 H new ATOM 0 HD2 PRO A 12 -8.948 -12.514 7.341 1.00 1.07 H new ATOM 0 HD3 PRO A 12 -8.047 -13.010 8.760 1.00 1.07 H new ATOM 186 N GLY A 13 -8.010 -14.016 4.460 1.00 0.80 N ATOM 187 CA GLY A 13 -8.533 -14.124 3.101 1.00 0.78 C ATOM 188 C GLY A 13 -10.021 -13.755 3.018 1.00 0.78 C ATOM 189 O GLY A 13 -10.633 -13.484 4.051 1.00 0.83 O ATOM 0 H GLY A 13 -8.461 -13.280 5.003 1.00 0.80 H new ATOM 0 HA2 GLY A 13 -7.962 -13.471 2.441 1.00 0.78 H new ATOM 0 HA3 GLY A 13 -8.393 -15.143 2.740 1.00 0.78 H new ATOM 193 N PRO A 14 -10.615 -13.717 1.809 1.00 0.81 N ATOM 194 CA PRO A 14 -9.964 -13.910 0.511 1.00 0.82 C ATOM 195 C PRO A 14 -9.065 -12.725 0.113 1.00 0.76 C ATOM 196 O PRO A 14 -8.367 -12.801 -0.898 1.00 0.81 O ATOM 197 CB PRO A 14 -11.123 -14.079 -0.477 1.00 0.92 C ATOM 198 CG PRO A 14 -12.220 -13.198 0.121 1.00 0.93 C ATOM 199 CD PRO A 14 -12.026 -13.404 1.623 1.00 0.89 C ATOM 0 HA PRO A 14 -9.294 -14.769 0.530 1.00 0.82 H new ATOM 0 HB2 PRO A 14 -10.848 -13.754 -1.481 1.00 0.92 H new ATOM 0 HB3 PRO A 14 -11.439 -15.119 -0.554 1.00 0.92 H new ATOM 0 HG2 PRO A 14 -12.102 -12.153 -0.164 1.00 0.93 H new ATOM 0 HG3 PRO A 14 -13.213 -13.507 -0.206 1.00 0.93 H new ATOM 0 HD2 PRO A 14 -12.303 -12.508 2.178 1.00 0.89 H new ATOM 0 HD3 PRO A 14 -12.657 -14.214 1.990 1.00 0.89 H new ATOM 207 N ASN A 15 -9.069 -11.642 0.905 1.00 0.70 N ATOM 208 CA ASN A 15 -8.335 -10.417 0.638 1.00 0.60 C ATOM 209 C ASN A 15 -7.835 -9.687 1.901 1.00 0.53 C ATOM 210 O ASN A 15 -8.283 -9.899 3.031 1.00 0.68 O ATOM 211 CB ASN A 15 -9.196 -9.520 -0.269 1.00 0.77 C ATOM 212 CG ASN A 15 -10.502 -9.002 0.329 1.00 1.09 C ATOM 213 OD1 ASN A 15 -10.886 -9.273 1.459 1.00 1.65 O ATOM 214 ND2 ASN A 15 -11.211 -8.210 -0.456 1.00 1.65 N ATOM 0 H ASN A 15 -9.603 -11.604 1.773 1.00 0.70 H new ATOM 0 HA ASN A 15 -7.412 -10.683 0.123 1.00 0.60 H new ATOM 0 HB2 ASN A 15 -8.595 -8.662 -0.571 1.00 0.77 H new ATOM 0 HB3 ASN A 15 -9.433 -10.078 -1.175 1.00 0.77 H new ATOM 0 HD21 ASN A 15 -12.091 -7.816 -0.122 1.00 1.65 H new ATOM 0 HD22 ASN A 15 -10.879 -7.993 -1.396 1.00 1.65 H new ATOM 221 N ALA A 16 -6.852 -8.820 1.665 1.00 0.44 N ATOM 222 CA ALA A 16 -6.097 -8.011 2.620 1.00 0.42 C ATOM 223 C ALA A 16 -5.847 -6.598 2.051 1.00 0.44 C ATOM 224 O ALA A 16 -6.325 -6.257 0.970 1.00 0.45 O ATOM 225 CB ALA A 16 -4.792 -8.759 2.950 1.00 0.43 C ATOM 0 H ALA A 16 -6.534 -8.650 0.711 1.00 0.44 H new ATOM 0 HA ALA A 16 -6.660 -7.870 3.543 1.00 0.42 H new ATOM 0 HB1 ALA A 16 -4.208 -8.176 3.662 1.00 0.43 H new ATOM 0 HB2 ALA A 16 -5.029 -9.730 3.384 1.00 0.43 H new ATOM 0 HB3 ALA A 16 -4.213 -8.901 2.037 1.00 0.43 H new ATOM 231 N ALA A 17 -5.113 -5.769 2.791 1.00 0.48 N ATOM 232 CA ALA A 17 -4.686 -4.423 2.408 1.00 0.50 C ATOM 233 C ALA A 17 -3.341 -4.129 3.101 1.00 0.53 C ATOM 234 O ALA A 17 -3.081 -4.672 4.183 1.00 0.76 O ATOM 235 CB ALA A 17 -5.763 -3.418 2.844 1.00 0.73 C ATOM 0 H ALA A 17 -4.783 -6.030 3.720 1.00 0.48 H new ATOM 0 HA ALA A 17 -4.556 -4.342 1.329 1.00 0.50 H new ATOM 0 HB1 ALA A 17 -5.455 -2.411 2.564 1.00 0.73 H new ATOM 0 HB2 ALA A 17 -6.706 -3.659 2.353 1.00 0.73 H new ATOM 0 HB3 ALA A 17 -5.893 -3.470 3.925 1.00 0.73 H new ATOM 241 N ALA A 18 -2.501 -3.273 2.519 1.00 0.50 N ATOM 242 CA ALA A 18 -1.189 -2.920 3.061 1.00 0.60 C ATOM 243 C ALA A 18 -0.889 -1.420 2.943 1.00 0.61 C ATOM 244 O ALA A 18 -1.189 -0.775 1.934 1.00 0.53 O ATOM 245 CB ALA A 18 -0.110 -3.760 2.366 1.00 0.64 C ATOM 0 H ALA A 18 -2.717 -2.797 1.643 1.00 0.50 H new ATOM 0 HA ALA A 18 -1.191 -3.144 4.128 1.00 0.60 H new ATOM 0 HB1 ALA A 18 0.869 -3.499 2.768 1.00 0.64 H new ATOM 0 HB2 ALA A 18 -0.304 -4.818 2.541 1.00 0.64 H new ATOM 0 HB3 ALA A 18 -0.127 -3.560 1.295 1.00 0.64 H new ATOM 251 N TYR A 19 -0.242 -0.907 3.984 1.00 0.80 N ATOM 252 CA TYR A 19 0.287 0.450 4.113 1.00 0.74 C ATOM 253 C TYR A 19 1.817 0.400 3.973 1.00 0.74 C ATOM 254 O TYR A 19 2.555 0.387 4.960 1.00 1.07 O ATOM 255 CB TYR A 19 -0.155 1.003 5.475 1.00 0.87 C ATOM 256 CG TYR A 19 -1.658 1.112 5.640 1.00 1.16 C ATOM 257 CD1 TYR A 19 -2.346 2.142 4.980 1.00 2.78 C ATOM 258 CD2 TYR A 19 -2.372 0.222 6.465 1.00 1.56 C ATOM 259 CE1 TYR A 19 -3.725 2.333 5.184 1.00 3.12 C ATOM 260 CE2 TYR A 19 -3.754 0.394 6.667 1.00 1.72 C ATOM 261 CZ TYR A 19 -4.431 1.461 6.039 1.00 1.96 C ATOM 262 OH TYR A 19 -5.753 1.659 6.273 1.00 2.39 O ATOM 0 H TYR A 19 -0.060 -1.465 4.818 1.00 0.80 H new ATOM 0 HA TYR A 19 -0.093 1.111 3.334 1.00 0.74 H new ATOM 0 HB2 TYR A 19 0.241 0.361 6.262 1.00 0.87 H new ATOM 0 HB3 TYR A 19 0.288 1.989 5.616 1.00 0.87 H new ATOM 0 HD1 TYR A 19 -1.811 2.796 4.308 1.00 2.78 H new ATOM 0 HD2 TYR A 19 -1.857 -0.597 6.945 1.00 1.56 H new ATOM 0 HE1 TYR A 19 -4.240 3.143 4.689 1.00 3.12 H new ATOM 0 HE2 TYR A 19 -4.296 -0.290 7.302 1.00 1.72 H new ATOM 0 HH TYR A 19 -6.084 0.968 6.883 1.00 2.39 H new ATOM 272 N LEU A 20 2.302 0.207 2.740 1.00 1.10 N ATOM 273 CA LEU A 20 3.739 0.080 2.475 1.00 1.25 C ATOM 274 C LEU A 20 4.439 1.442 2.520 1.00 1.06 C ATOM 275 O LEU A 20 3.794 2.469 2.296 1.00 0.85 O ATOM 276 CB LEU A 20 3.988 -0.712 1.173 1.00 1.47 C ATOM 277 CG LEU A 20 3.694 0.003 -0.166 1.00 1.37 C ATOM 278 CD1 LEU A 20 4.737 1.067 -0.552 1.00 1.88 C ATOM 279 CD2 LEU A 20 3.663 -1.064 -1.264 1.00 1.70 C ATOM 0 H LEU A 20 1.717 0.135 1.908 1.00 1.10 H new ATOM 0 HA LEU A 20 4.195 -0.504 3.274 1.00 1.25 H new ATOM 0 HB2 LEU A 20 5.032 -1.025 1.165 1.00 1.47 H new ATOM 0 HB3 LEU A 20 3.383 -1.618 1.210 1.00 1.47 H new ATOM 0 HG LEU A 20 2.745 0.527 -0.052 1.00 1.37 H new ATOM 0 HD11 LEU A 20 4.458 1.522 -1.503 1.00 1.88 H new ATOM 0 HD12 LEU A 20 4.776 1.835 0.220 1.00 1.88 H new ATOM 0 HD13 LEU A 20 5.717 0.599 -0.647 1.00 1.88 H new ATOM 0 HD21 LEU A 20 3.457 -0.592 -2.225 1.00 1.70 H new ATOM 0 HD22 LEU A 20 4.628 -1.570 -1.307 1.00 1.70 H new ATOM 0 HD23 LEU A 20 2.882 -1.791 -1.043 1.00 1.70 H new ATOM 291 N THR A 21 5.761 1.418 2.728 1.00 1.29 N ATOM 292 CA THR A 21 6.621 2.601 2.720 1.00 1.25 C ATOM 293 C THR A 21 7.944 2.293 2.033 1.00 1.51 C ATOM 294 O THR A 21 8.458 1.179 2.138 1.00 1.85 O ATOM 295 CB THR A 21 6.863 3.110 4.142 1.00 1.39 C ATOM 296 OG1 THR A 21 5.628 3.283 4.793 1.00 1.98 O ATOM 297 CG2 THR A 21 7.596 4.454 4.146 1.00 1.59 C ATOM 0 H THR A 21 6.271 0.554 2.911 1.00 1.29 H new ATOM 0 HA THR A 21 6.113 3.386 2.160 1.00 1.25 H new ATOM 0 HB THR A 21 7.479 2.372 4.655 1.00 1.39 H new ATOM 0 HG1 THR A 21 5.726 3.068 5.744 1.00 1.98 H new ATOM 0 HG21 THR A 21 7.749 4.782 5.174 1.00 1.59 H new ATOM 0 HG22 THR A 21 8.562 4.343 3.653 1.00 1.59 H new ATOM 0 HG23 THR A 21 7.000 5.195 3.614 1.00 1.59 H new ATOM 305 N LEU A 22 8.487 3.312 1.371 1.00 1.78 N ATOM 306 CA LEU A 22 9.832 3.381 0.793 1.00 2.48 C ATOM 307 C LEU A 22 10.357 4.824 0.934 1.00 2.03 C ATOM 308 O LEU A 22 9.672 5.703 1.462 1.00 1.99 O ATOM 309 CB LEU A 22 9.792 2.895 -0.682 1.00 3.50 C ATOM 310 CG LEU A 22 10.755 1.752 -1.072 1.00 4.73 C ATOM 311 CD1 LEU A 22 12.229 2.147 -0.900 1.00 5.15 C ATOM 312 CD2 LEU A 22 10.453 0.458 -0.309 1.00 5.63 C ATOM 0 H LEU A 22 7.964 4.173 1.212 1.00 1.78 H new ATOM 0 HA LEU A 22 10.521 2.723 1.323 1.00 2.48 H new ATOM 0 HB2 LEU A 22 8.775 2.571 -0.904 1.00 3.50 H new ATOM 0 HB3 LEU A 22 10.002 3.749 -1.326 1.00 3.50 H new ATOM 0 HG LEU A 22 10.584 1.564 -2.132 1.00 4.73 H new ATOM 0 HD11 LEU A 22 12.866 1.310 -1.187 1.00 5.15 H new ATOM 0 HD12 LEU A 22 12.452 3.006 -1.533 1.00 5.15 H new ATOM 0 HD13 LEU A 22 12.417 2.405 0.142 1.00 5.15 H new ATOM 0 HD21 LEU A 22 11.155 -0.317 -0.616 1.00 5.63 H new ATOM 0 HD22 LEU A 22 10.553 0.635 0.762 1.00 5.63 H new ATOM 0 HD23 LEU A 22 9.436 0.134 -0.530 1.00 5.63 H new ATOM 324 N GLU A 23 11.558 5.105 0.431 1.00 1.84 N ATOM 325 CA GLU A 23 12.124 6.454 0.373 1.00 1.51 C ATOM 326 C GLU A 23 12.868 6.652 -0.950 1.00 1.67 C ATOM 327 O GLU A 23 13.795 5.911 -1.277 1.00 2.51 O ATOM 328 CB GLU A 23 13.049 6.685 1.574 1.00 1.83 C ATOM 329 CG GLU A 23 13.542 8.134 1.669 1.00 3.03 C ATOM 330 CD GLU A 23 14.508 8.244 2.837 1.00 3.79 C ATOM 331 OE1 GLU A 23 15.711 7.972 2.621 1.00 4.39 O ATOM 332 OE2 GLU A 23 14.043 8.488 3.971 1.00 4.57 O ATOM 0 H GLU A 23 12.176 4.391 0.046 1.00 1.84 H new ATOM 0 HA GLU A 23 11.320 7.188 0.420 1.00 1.51 H new ATOM 0 HB2 GLU A 23 12.520 6.424 2.491 1.00 1.83 H new ATOM 0 HB3 GLU A 23 13.907 6.017 1.500 1.00 1.83 H new ATOM 0 HG2 GLU A 23 14.035 8.427 0.742 1.00 3.03 H new ATOM 0 HG3 GLU A 23 12.700 8.811 1.810 1.00 3.03 H new ATOM 339 N ASN A 24 12.472 7.684 -1.693 1.00 1.11 N ATOM 340 CA ASN A 24 13.055 8.074 -2.965 1.00 1.05 C ATOM 341 C ASN A 24 14.386 8.798 -2.701 1.00 1.04 C ATOM 342 O ASN A 24 14.379 9.857 -2.069 1.00 1.35 O ATOM 343 CB ASN A 24 12.067 9.022 -3.673 1.00 1.04 C ATOM 344 CG ASN A 24 12.569 9.485 -5.031 1.00 1.03 C ATOM 345 OD1 ASN A 24 13.563 9.005 -5.555 1.00 1.56 O ATOM 346 ND2 ASN A 24 11.904 10.445 -5.634 1.00 1.14 N ATOM 0 H ASN A 24 11.704 8.293 -1.409 1.00 1.11 H new ATOM 0 HA ASN A 24 13.244 7.203 -3.592 1.00 1.05 H new ATOM 0 HB2 ASN A 24 11.110 8.516 -3.797 1.00 1.04 H new ATOM 0 HB3 ASN A 24 11.888 9.892 -3.041 1.00 1.04 H new ATOM 0 HD21 ASN A 24 12.217 10.791 -6.541 1.00 1.14 H new ATOM 0 HD22 ASN A 24 11.074 10.844 -5.195 1.00 1.14 H new ATOM 353 N PRO A 25 15.529 8.287 -3.192 1.00 0.99 N ATOM 354 CA PRO A 25 16.813 8.965 -3.028 1.00 1.16 C ATOM 355 C PRO A 25 16.938 10.243 -3.861 1.00 1.63 C ATOM 356 O PRO A 25 17.799 11.069 -3.559 1.00 2.00 O ATOM 357 CB PRO A 25 17.856 7.925 -3.458 1.00 1.48 C ATOM 358 CG PRO A 25 17.099 7.081 -4.486 1.00 1.65 C ATOM 359 CD PRO A 25 15.693 7.030 -3.908 1.00 1.21 C ATOM 0 HA PRO A 25 16.942 9.302 -1.999 1.00 1.16 H new ATOM 0 HB2 PRO A 25 18.738 8.395 -3.893 1.00 1.48 H new ATOM 0 HB3 PRO A 25 18.197 7.324 -2.615 1.00 1.48 H new ATOM 0 HG2 PRO A 25 17.114 7.539 -5.475 1.00 1.65 H new ATOM 0 HG3 PRO A 25 17.531 6.085 -4.589 1.00 1.65 H new ATOM 0 HD2 PRO A 25 14.947 6.925 -4.696 1.00 1.21 H new ATOM 0 HD3 PRO A 25 15.573 6.177 -3.240 1.00 1.21 H new ATOM 367 N GLY A 26 16.092 10.415 -4.883 1.00 1.79 N ATOM 368 CA GLY A 26 16.283 11.382 -5.960 1.00 2.17 C ATOM 369 C GLY A 26 17.259 10.840 -6.998 1.00 1.03 C ATOM 370 O GLY A 26 18.373 10.420 -6.692 1.00 2.83 O ATOM 0 H GLY A 26 15.236 9.870 -4.983 1.00 1.79 H new ATOM 0 HA2 GLY A 26 15.326 11.602 -6.433 1.00 2.17 H new ATOM 0 HA3 GLY A 26 16.661 12.320 -5.552 1.00 2.17 H new ATOM 374 N ASP A 27 16.781 10.850 -8.230 1.00 1.26 N ATOM 375 CA ASP A 27 17.084 9.870 -9.277 1.00 3.50 C ATOM 376 C ASP A 27 16.301 10.371 -10.503 1.00 3.47 C ATOM 377 O ASP A 27 16.849 10.650 -11.565 1.00 4.64 O ATOM 378 CB ASP A 27 16.612 8.502 -8.712 1.00 5.36 C ATOM 379 CG ASP A 27 16.631 7.286 -9.638 1.00 6.99 C ATOM 380 OD1 ASP A 27 16.521 7.421 -10.873 1.00 7.60 O ATOM 381 OD2 ASP A 27 16.573 6.152 -9.107 1.00 8.27 O ATOM 0 H ASP A 27 16.139 11.575 -8.551 1.00 1.26 H new ATOM 0 HA ASP A 27 18.129 9.754 -9.565 1.00 3.50 H new ATOM 0 HB2 ASP A 27 17.232 8.269 -7.846 1.00 5.36 H new ATOM 0 HB3 ASP A 27 15.592 8.627 -8.350 1.00 5.36 H new ATOM 386 N LEU A 28 15.029 10.684 -10.228 1.00 2.07 N ATOM 387 CA LEU A 28 14.049 11.439 -10.972 1.00 1.45 C ATOM 388 C LEU A 28 12.892 11.793 -9.995 1.00 0.77 C ATOM 389 O LEU A 28 13.033 11.520 -8.792 1.00 0.83 O ATOM 390 CB LEU A 28 13.669 10.570 -12.175 1.00 1.77 C ATOM 391 CG LEU A 28 12.770 9.348 -11.908 1.00 3.40 C ATOM 392 CD1 LEU A 28 11.868 9.067 -13.121 1.00 3.85 C ATOM 393 CD2 LEU A 28 13.543 8.066 -11.578 1.00 4.69 C ATOM 0 H LEU A 28 14.621 10.360 -9.351 1.00 2.07 H new ATOM 0 HA LEU A 28 14.395 12.393 -11.368 1.00 1.45 H new ATOM 0 HB2 LEU A 28 13.167 11.205 -12.905 1.00 1.77 H new ATOM 0 HB3 LEU A 28 14.589 10.217 -12.640 1.00 1.77 H new ATOM 0 HG LEU A 28 12.181 9.613 -11.030 1.00 3.40 H new ATOM 0 HD11 LEU A 28 11.240 8.200 -12.914 1.00 3.85 H new ATOM 0 HD12 LEU A 28 11.237 9.935 -13.314 1.00 3.85 H new ATOM 0 HD13 LEU A 28 12.487 8.866 -13.996 1.00 3.85 H new ATOM 0 HD21 LEU A 28 12.840 7.252 -11.403 1.00 4.69 H new ATOM 0 HD22 LEU A 28 14.195 7.809 -12.413 1.00 4.69 H new ATOM 0 HD23 LEU A 28 14.145 8.224 -10.683 1.00 4.69 H new ATOM 405 N PRO A 29 11.744 12.346 -10.438 1.00 0.76 N ATOM 406 CA PRO A 29 10.521 12.284 -9.660 1.00 0.77 C ATOM 407 C PRO A 29 9.907 10.898 -9.853 1.00 0.77 C ATOM 408 O PRO A 29 9.768 10.392 -10.965 1.00 0.96 O ATOM 409 CB PRO A 29 9.628 13.398 -10.184 1.00 0.93 C ATOM 410 CG PRO A 29 10.056 13.537 -11.646 1.00 0.93 C ATOM 411 CD PRO A 29 11.452 12.906 -11.747 1.00 0.93 C ATOM 0 HA PRO A 29 10.676 12.424 -8.590 1.00 0.77 H new ATOM 0 HB2 PRO A 29 8.572 13.141 -10.097 1.00 0.93 H new ATOM 0 HB3 PRO A 29 9.777 14.326 -9.632 1.00 0.93 H new ATOM 0 HG2 PRO A 29 9.352 13.032 -12.307 1.00 0.93 H new ATOM 0 HG3 PRO A 29 10.080 14.585 -11.946 1.00 0.93 H new ATOM 0 HD2 PRO A 29 11.474 12.132 -12.514 1.00 0.93 H new ATOM 0 HD3 PRO A 29 12.196 13.652 -12.025 1.00 0.93 H new ATOM 419 N LEU A 30 9.568 10.276 -8.735 1.00 0.76 N ATOM 420 CA LEU A 30 9.049 8.912 -8.699 1.00 0.77 C ATOM 421 C LEU A 30 7.529 8.918 -8.763 1.00 0.68 C ATOM 422 O LEU A 30 6.852 9.857 -8.355 1.00 0.76 O ATOM 423 CB LEU A 30 9.553 8.154 -7.459 1.00 0.93 C ATOM 424 CG LEU A 30 10.896 7.418 -7.632 1.00 0.90 C ATOM 425 CD1 LEU A 30 10.784 6.097 -8.398 1.00 1.96 C ATOM 426 CD2 LEU A 30 12.002 8.241 -8.299 1.00 2.52 C ATOM 0 H LEU A 30 9.645 10.707 -7.814 1.00 0.76 H new ATOM 0 HA LEU A 30 9.424 8.384 -9.576 1.00 0.77 H new ATOM 0 HB2 LEU A 30 9.650 8.862 -6.636 1.00 0.93 H new ATOM 0 HB3 LEU A 30 8.795 7.427 -7.166 1.00 0.93 H new ATOM 0 HG LEU A 30 11.176 7.227 -6.596 1.00 0.90 H new ATOM 0 HD11 LEU A 30 11.770 5.639 -8.479 1.00 1.96 H new ATOM 0 HD12 LEU A 30 10.113 5.423 -7.865 1.00 1.96 H new ATOM 0 HD13 LEU A 30 10.390 6.287 -9.396 1.00 1.96 H new ATOM 0 HD21 LEU A 30 12.907 7.639 -8.377 1.00 2.52 H new ATOM 0 HD22 LEU A 30 11.680 8.543 -9.296 1.00 2.52 H new ATOM 0 HD23 LEU A 30 12.207 9.128 -7.700 1.00 2.52 H new ATOM 438 N ARG A 31 7.009 7.786 -9.222 1.00 0.72 N ATOM 439 CA ARG A 31 5.577 7.611 -9.508 1.00 0.62 C ATOM 440 C ARG A 31 5.157 6.157 -9.386 1.00 0.57 C ATOM 441 O ARG A 31 5.518 5.335 -10.228 1.00 0.61 O ATOM 442 CB ARG A 31 5.229 8.152 -10.904 1.00 0.64 C ATOM 443 CG ARG A 31 3.703 8.214 -11.105 1.00 0.65 C ATOM 444 CD ARG A 31 3.299 8.842 -12.442 1.00 0.71 C ATOM 445 NE ARG A 31 3.670 10.263 -12.476 1.00 1.03 N ATOM 446 CZ ARG A 31 3.740 11.092 -13.507 1.00 1.07 C ATOM 447 NH1 ARG A 31 3.458 10.714 -14.739 1.00 1.77 N ATOM 448 NH2 ARG A 31 4.114 12.331 -13.295 1.00 1.68 N ATOM 0 H ARG A 31 7.567 6.953 -9.410 1.00 0.72 H new ATOM 0 HA ARG A 31 5.024 8.183 -8.763 1.00 0.62 H new ATOM 0 HB2 ARG A 31 5.657 9.146 -11.030 1.00 0.64 H new ATOM 0 HB3 ARG A 31 5.675 7.514 -11.667 1.00 0.64 H new ATOM 0 HG2 ARG A 31 3.293 7.206 -11.045 1.00 0.65 H new ATOM 0 HG3 ARG A 31 3.258 8.787 -10.292 1.00 0.65 H new ATOM 0 HD2 ARG A 31 3.787 8.313 -13.261 1.00 0.71 H new ATOM 0 HD3 ARG A 31 2.224 8.737 -12.590 1.00 0.71 H new ATOM 0 HE ARG A 31 3.909 10.672 -11.573 1.00 1.03 H new ATOM 0 HH11 ARG A 31 3.174 9.752 -14.925 1.00 1.77 H new ATOM 0 HH12 ARG A 31 3.524 11.384 -15.506 1.00 1.77 H new ATOM 0 HH21 ARG A 31 4.344 12.640 -12.350 1.00 1.68 H new ATOM 0 HH22 ARG A 31 4.175 12.986 -14.075 1.00 1.68 H new ATOM 462 N LEU A 32 4.429 5.828 -8.330 1.00 0.52 N ATOM 463 CA LEU A 32 4.077 4.468 -7.936 1.00 0.49 C ATOM 464 C LEU A 32 2.726 4.102 -8.549 1.00 0.44 C ATOM 465 O LEU A 32 1.708 4.633 -8.121 1.00 0.44 O ATOM 466 CB LEU A 32 4.075 4.461 -6.399 1.00 0.51 C ATOM 467 CG LEU A 32 3.723 3.128 -5.718 1.00 0.69 C ATOM 468 CD1 LEU A 32 4.540 1.959 -6.278 1.00 1.84 C ATOM 469 CD2 LEU A 32 4.000 3.286 -4.220 1.00 2.44 C ATOM 0 H LEU A 32 4.050 6.531 -7.695 1.00 0.52 H new ATOM 0 HA LEU A 32 4.780 3.717 -8.295 1.00 0.49 H new ATOM 0 HB2 LEU A 32 5.063 4.769 -6.055 1.00 0.51 H new ATOM 0 HB3 LEU A 32 3.368 5.216 -6.056 1.00 0.51 H new ATOM 0 HG LEU A 32 2.674 2.898 -5.907 1.00 0.69 H new ATOM 0 HD11 LEU A 32 4.257 1.039 -5.767 1.00 1.84 H new ATOM 0 HD12 LEU A 32 4.344 1.856 -7.345 1.00 1.84 H new ATOM 0 HD13 LEU A 32 5.602 2.149 -6.121 1.00 1.84 H new ATOM 0 HD21 LEU A 32 3.760 2.356 -3.705 1.00 2.44 H new ATOM 0 HD22 LEU A 32 5.053 3.524 -4.068 1.00 2.44 H new ATOM 0 HD23 LEU A 32 3.384 4.091 -3.819 1.00 2.44 H new ATOM 481 N VAL A 33 2.714 3.218 -9.549 1.00 0.43 N ATOM 482 CA VAL A 33 1.514 2.940 -10.372 1.00 0.44 C ATOM 483 C VAL A 33 0.866 1.579 -10.057 1.00 0.43 C ATOM 484 O VAL A 33 -0.299 1.354 -10.371 1.00 0.53 O ATOM 485 CB VAL A 33 1.821 3.031 -11.890 1.00 0.56 C ATOM 486 CG1 VAL A 33 2.432 4.390 -12.284 1.00 0.68 C ATOM 487 CG2 VAL A 33 2.794 1.942 -12.394 1.00 0.57 C ATOM 0 H VAL A 33 3.531 2.670 -9.818 1.00 0.43 H new ATOM 0 HA VAL A 33 0.798 3.717 -10.106 1.00 0.44 H new ATOM 0 HB VAL A 33 0.846 2.892 -12.357 1.00 0.56 H new ATOM 0 HG11 VAL A 33 2.629 4.403 -13.356 1.00 0.68 H new ATOM 0 HG12 VAL A 33 1.734 5.189 -12.033 1.00 0.68 H new ATOM 0 HG13 VAL A 33 3.366 4.540 -11.742 1.00 0.68 H new ATOM 0 HG21 VAL A 33 2.961 2.070 -13.464 1.00 0.57 H new ATOM 0 HG22 VAL A 33 3.743 2.030 -11.866 1.00 0.57 H new ATOM 0 HG23 VAL A 33 2.365 0.957 -12.209 1.00 0.57 H new ATOM 497 N GLY A 34 1.626 0.664 -9.448 1.00 0.40 N ATOM 498 CA GLY A 34 1.160 -0.650 -9.007 1.00 0.42 C ATOM 499 C GLY A 34 2.066 -1.242 -7.942 1.00 0.40 C ATOM 500 O GLY A 34 3.072 -0.646 -7.555 1.00 0.42 O ATOM 0 H GLY A 34 2.612 0.824 -9.243 1.00 0.40 H new ATOM 0 HA2 GLY A 34 0.147 -0.563 -8.615 1.00 0.42 H new ATOM 0 HA3 GLY A 34 1.114 -1.325 -9.862 1.00 0.42 H new ATOM 504 N ALA A 35 1.734 -2.455 -7.519 1.00 0.43 N ATOM 505 CA ALA A 35 2.564 -3.260 -6.635 1.00 0.46 C ATOM 506 C ALA A 35 2.715 -4.697 -7.169 1.00 0.55 C ATOM 507 O ALA A 35 2.183 -5.058 -8.220 1.00 0.69 O ATOM 508 CB ALA A 35 1.990 -3.182 -5.215 1.00 0.47 C ATOM 0 H ALA A 35 0.864 -2.915 -7.786 1.00 0.43 H new ATOM 0 HA ALA A 35 3.580 -2.865 -6.601 1.00 0.46 H new ATOM 0 HB1 ALA A 35 2.603 -3.781 -4.541 1.00 0.47 H new ATOM 0 HB2 ALA A 35 1.989 -2.145 -4.879 1.00 0.47 H new ATOM 0 HB3 ALA A 35 0.969 -3.564 -5.214 1.00 0.47 H new ATOM 514 N ARG A 36 3.451 -5.513 -6.420 1.00 0.60 N ATOM 515 CA ARG A 36 3.578 -6.964 -6.564 1.00 0.71 C ATOM 516 C ARG A 36 3.796 -7.583 -5.175 1.00 0.56 C ATOM 517 O ARG A 36 4.011 -6.858 -4.204 1.00 0.65 O ATOM 518 CB ARG A 36 4.745 -7.293 -7.519 1.00 1.11 C ATOM 519 CG ARG A 36 4.286 -7.906 -8.830 1.00 1.34 C ATOM 520 CD ARG A 36 5.504 -8.345 -9.657 1.00 2.47 C ATOM 521 NE ARG A 36 5.118 -9.394 -10.616 1.00 2.75 N ATOM 522 CZ ARG A 36 4.953 -10.683 -10.330 1.00 3.10 C ATOM 523 NH1 ARG A 36 5.297 -11.189 -9.161 1.00 3.56 N ATOM 524 NH2 ARG A 36 4.420 -11.489 -11.223 1.00 3.90 N ATOM 0 H ARG A 36 4.012 -5.158 -5.646 1.00 0.60 H new ATOM 0 HA ARG A 36 2.669 -7.384 -6.994 1.00 0.71 H new ATOM 0 HB2 ARG A 36 5.305 -6.381 -7.727 1.00 1.11 H new ATOM 0 HB3 ARG A 36 5.430 -7.981 -7.023 1.00 1.11 H new ATOM 0 HG2 ARG A 36 3.640 -8.762 -8.635 1.00 1.34 H new ATOM 0 HG3 ARG A 36 3.695 -7.183 -9.392 1.00 1.34 H new ATOM 0 HD2 ARG A 36 5.918 -7.489 -10.190 1.00 2.47 H new ATOM 0 HD3 ARG A 36 6.286 -8.717 -8.996 1.00 2.47 H new ATOM 0 HE ARG A 36 4.964 -9.108 -11.583 1.00 2.75 H new ATOM 0 HH11 ARG A 36 5.703 -10.587 -8.444 1.00 3.56 H new ATOM 0 HH12 ARG A 36 5.157 -12.182 -8.974 1.00 3.56 H new ATOM 0 HH21 ARG A 36 4.134 -11.125 -12.132 1.00 3.90 H new ATOM 0 HH22 ARG A 36 4.293 -12.477 -11.006 1.00 3.90 H new ATOM 538 N THR A 37 3.718 -8.912 -5.072 1.00 0.62 N ATOM 539 CA THR A 37 3.711 -9.687 -3.818 1.00 0.44 C ATOM 540 C THR A 37 3.569 -11.182 -4.138 1.00 0.54 C ATOM 541 O THR A 37 2.984 -11.498 -5.173 1.00 0.81 O ATOM 542 CB THR A 37 2.567 -9.219 -2.901 1.00 0.57 C ATOM 543 OG1 THR A 37 2.504 -10.026 -1.764 1.00 0.79 O ATOM 544 CG2 THR A 37 1.185 -9.281 -3.559 1.00 0.86 C ATOM 0 H THR A 37 3.655 -9.510 -5.896 1.00 0.62 H new ATOM 0 HA THR A 37 4.652 -9.524 -3.293 1.00 0.44 H new ATOM 0 HB THR A 37 2.797 -8.180 -2.664 1.00 0.57 H new ATOM 0 HG1 THR A 37 2.317 -9.471 -0.979 1.00 0.79 H new ATOM 0 HG21 THR A 37 0.430 -8.936 -2.853 1.00 0.86 H new ATOM 0 HG22 THR A 37 1.174 -8.643 -4.443 1.00 0.86 H new ATOM 0 HG23 THR A 37 0.967 -10.308 -3.851 1.00 0.86 H new ATOM 552 N PRO A 38 4.040 -12.104 -3.277 1.00 0.55 N ATOM 553 CA PRO A 38 3.794 -13.535 -3.412 1.00 0.62 C ATOM 554 C PRO A 38 2.520 -14.017 -2.711 1.00 0.63 C ATOM 555 O PRO A 38 2.165 -15.179 -2.855 1.00 0.73 O ATOM 556 CB PRO A 38 5.031 -14.181 -2.802 1.00 0.70 C ATOM 557 CG PRO A 38 5.482 -13.212 -1.716 1.00 0.73 C ATOM 558 CD PRO A 38 5.012 -11.850 -2.226 1.00 0.69 C ATOM 0 HA PRO A 38 3.630 -13.801 -4.456 1.00 0.62 H new ATOM 0 HB2 PRO A 38 4.800 -15.162 -2.386 1.00 0.70 H new ATOM 0 HB3 PRO A 38 5.810 -14.327 -3.550 1.00 0.70 H new ATOM 0 HG2 PRO A 38 5.034 -13.455 -0.752 1.00 0.73 H new ATOM 0 HG3 PRO A 38 6.563 -13.237 -1.581 1.00 0.73 H new ATOM 0 HD2 PRO A 38 4.565 -11.269 -1.419 1.00 0.69 H new ATOM 0 HD3 PRO A 38 5.852 -11.270 -2.609 1.00 0.69 H new ATOM 566 N VAL A 39 1.848 -13.155 -1.942 1.00 0.65 N ATOM 567 CA VAL A 39 0.683 -13.508 -1.106 1.00 0.69 C ATOM 568 C VAL A 39 -0.631 -12.871 -1.561 1.00 0.65 C ATOM 569 O VAL A 39 -1.559 -12.732 -0.774 1.00 0.75 O ATOM 570 CB VAL A 39 0.965 -13.196 0.375 1.00 0.77 C ATOM 571 CG1 VAL A 39 2.209 -13.938 0.877 1.00 0.88 C ATOM 572 CG2 VAL A 39 1.107 -11.690 0.626 1.00 0.79 C ATOM 0 H VAL A 39 2.100 -12.169 -1.878 1.00 0.65 H new ATOM 0 HA VAL A 39 0.542 -14.582 -1.229 1.00 0.69 H new ATOM 0 HB VAL A 39 0.102 -13.550 0.939 1.00 0.77 H new ATOM 0 HG11 VAL A 39 2.379 -13.695 1.926 1.00 0.88 H new ATOM 0 HG12 VAL A 39 2.058 -15.013 0.773 1.00 0.88 H new ATOM 0 HG13 VAL A 39 3.075 -13.635 0.289 1.00 0.88 H new ATOM 0 HG21 VAL A 39 1.305 -11.514 1.683 1.00 0.79 H new ATOM 0 HG22 VAL A 39 1.933 -11.298 0.032 1.00 0.79 H new ATOM 0 HG23 VAL A 39 0.184 -11.185 0.341 1.00 0.79 H new ATOM 582 N ALA A 40 -0.727 -12.532 -2.841 1.00 0.57 N ATOM 583 CA ALA A 40 -1.969 -12.185 -3.529 1.00 0.55 C ATOM 584 C ALA A 40 -1.833 -12.549 -5.014 1.00 0.61 C ATOM 585 O ALA A 40 -0.735 -12.779 -5.516 1.00 0.81 O ATOM 586 CB ALA A 40 -2.250 -10.691 -3.328 1.00 0.64 C ATOM 0 H ALA A 40 0.088 -12.489 -3.453 1.00 0.57 H new ATOM 0 HA ALA A 40 -2.812 -12.743 -3.121 1.00 0.55 H new ATOM 0 HB1 ALA A 40 -3.175 -10.423 -3.838 1.00 0.64 H new ATOM 0 HB2 ALA A 40 -2.348 -10.479 -2.263 1.00 0.64 H new ATOM 0 HB3 ALA A 40 -1.427 -10.107 -3.740 1.00 0.64 H new ATOM 592 N GLU A 41 -2.966 -12.608 -5.700 1.00 0.68 N ATOM 593 CA GLU A 41 -3.093 -12.848 -7.141 1.00 0.78 C ATOM 594 C GLU A 41 -3.235 -11.550 -7.953 1.00 0.80 C ATOM 595 O GLU A 41 -2.802 -11.478 -9.101 1.00 1.10 O ATOM 596 CB GLU A 41 -4.349 -13.699 -7.316 1.00 0.84 C ATOM 597 CG GLU A 41 -4.469 -14.380 -8.677 1.00 0.98 C ATOM 598 CD GLU A 41 -5.582 -15.410 -8.566 1.00 1.84 C ATOM 599 OE1 GLU A 41 -5.322 -16.440 -7.909 1.00 2.44 O ATOM 600 OE2 GLU A 41 -6.704 -15.115 -9.026 1.00 3.25 O ATOM 0 H GLU A 41 -3.872 -12.484 -5.248 1.00 0.68 H new ATOM 0 HA GLU A 41 -2.192 -13.338 -7.511 1.00 0.78 H new ATOM 0 HB2 GLU A 41 -4.366 -14.463 -6.539 1.00 0.84 H new ATOM 0 HB3 GLU A 41 -5.224 -13.068 -7.161 1.00 0.84 H new ATOM 0 HG2 GLU A 41 -4.696 -13.650 -9.454 1.00 0.98 H new ATOM 0 HG3 GLU A 41 -3.529 -14.857 -8.953 1.00 0.98 H new ATOM 607 N ARG A 42 -3.843 -10.526 -7.345 1.00 0.73 N ATOM 608 CA ARG A 42 -4.018 -9.170 -7.861 1.00 0.81 C ATOM 609 C ARG A 42 -3.740 -8.204 -6.705 1.00 0.75 C ATOM 610 O ARG A 42 -3.816 -8.567 -5.529 1.00 1.02 O ATOM 611 CB ARG A 42 -5.445 -8.974 -8.413 1.00 0.93 C ATOM 612 CG ARG A 42 -5.742 -9.857 -9.632 1.00 1.42 C ATOM 613 CD ARG A 42 -7.238 -9.881 -9.986 1.00 1.55 C ATOM 614 NE ARG A 42 -7.569 -11.103 -10.745 1.00 2.71 N ATOM 615 CZ ARG A 42 -7.607 -12.331 -10.230 1.00 3.99 C ATOM 616 NH1 ARG A 42 -7.595 -12.563 -8.938 1.00 4.78 N ATOM 617 NH2 ARG A 42 -7.615 -13.401 -10.988 1.00 5.30 N ATOM 0 H ARG A 42 -4.252 -10.633 -6.417 1.00 0.73 H new ATOM 0 HA ARG A 42 -3.331 -8.983 -8.686 1.00 0.81 H new ATOM 0 HB2 ARG A 42 -6.167 -9.195 -7.627 1.00 0.93 H new ATOM 0 HB3 ARG A 42 -5.582 -7.928 -8.687 1.00 0.93 H new ATOM 0 HG2 ARG A 42 -5.174 -9.493 -10.488 1.00 1.42 H new ATOM 0 HG3 ARG A 42 -5.402 -10.873 -9.433 1.00 1.42 H new ATOM 0 HD2 ARG A 42 -7.834 -9.839 -9.075 1.00 1.55 H new ATOM 0 HD3 ARG A 42 -7.493 -9.000 -10.575 1.00 1.55 H new ATOM 0 HE ARG A 42 -7.784 -11.000 -11.737 1.00 2.71 H new ATOM 0 HH11 ARG A 42 -7.555 -11.784 -8.280 1.00 4.78 H new ATOM 0 HH12 ARG A 42 -7.626 -13.522 -8.592 1.00 4.78 H new ATOM 0 HH21 ARG A 42 -7.592 -13.307 -12.003 1.00 5.30 H new ATOM 0 HH22 ARG A 42 -7.644 -14.327 -10.562 1.00 5.30 H new ATOM 631 N VAL A 43 -3.405 -6.975 -7.047 1.00 0.66 N ATOM 632 CA VAL A 43 -3.020 -5.914 -6.118 1.00 0.62 C ATOM 633 C VAL A 43 -3.340 -4.564 -6.761 1.00 0.83 C ATOM 634 O VAL A 43 -3.050 -4.352 -7.940 1.00 1.13 O ATOM 635 CB VAL A 43 -1.542 -6.037 -5.703 1.00 0.58 C ATOM 636 CG1 VAL A 43 -0.542 -5.832 -6.851 1.00 0.74 C ATOM 637 CG2 VAL A 43 -1.189 -5.091 -4.548 1.00 0.71 C ATOM 0 H VAL A 43 -3.391 -6.669 -8.020 1.00 0.66 H new ATOM 0 HA VAL A 43 -3.592 -6.005 -5.195 1.00 0.62 H new ATOM 0 HB VAL A 43 -1.444 -7.072 -5.374 1.00 0.58 H new ATOM 0 HG11 VAL A 43 0.474 -5.936 -6.471 1.00 0.74 H new ATOM 0 HG12 VAL A 43 -0.718 -6.579 -7.625 1.00 0.74 H new ATOM 0 HG13 VAL A 43 -0.672 -4.835 -7.273 1.00 0.74 H new ATOM 0 HG21 VAL A 43 -0.137 -5.211 -4.288 1.00 0.71 H new ATOM 0 HG22 VAL A 43 -1.372 -4.061 -4.853 1.00 0.71 H new ATOM 0 HG23 VAL A 43 -1.806 -5.328 -3.682 1.00 0.71 H new ATOM 647 N GLU A 44 -4.011 -3.701 -6.006 1.00 0.75 N ATOM 648 CA GLU A 44 -4.769 -2.558 -6.533 1.00 0.65 C ATOM 649 C GLU A 44 -4.578 -1.341 -5.635 1.00 0.57 C ATOM 650 O GLU A 44 -4.693 -1.458 -4.416 1.00 0.71 O ATOM 651 CB GLU A 44 -6.264 -2.909 -6.539 1.00 0.75 C ATOM 652 CG GLU A 44 -6.657 -3.951 -7.598 1.00 1.41 C ATOM 653 CD GLU A 44 -7.718 -4.911 -7.065 1.00 2.21 C ATOM 654 OE1 GLU A 44 -8.655 -4.422 -6.390 1.00 2.37 O ATOM 655 OE2 GLU A 44 -7.559 -6.131 -7.308 1.00 3.75 O ATOM 0 H GLU A 44 -4.048 -3.773 -4.989 1.00 0.75 H new ATOM 0 HA GLU A 44 -4.415 -2.336 -7.540 1.00 0.65 H new ATOM 0 HB2 GLU A 44 -6.543 -3.284 -5.554 1.00 0.75 H new ATOM 0 HB3 GLU A 44 -6.840 -1.999 -6.708 1.00 0.75 H new ATOM 0 HG2 GLU A 44 -7.035 -3.445 -8.486 1.00 1.41 H new ATOM 0 HG3 GLU A 44 -5.775 -4.514 -7.903 1.00 1.41 H new ATOM 662 N LEU A 45 -4.297 -0.168 -6.209 1.00 0.64 N ATOM 663 CA LEU A 45 -4.043 1.035 -5.418 1.00 0.58 C ATOM 664 C LEU A 45 -5.350 1.750 -5.049 1.00 0.44 C ATOM 665 O LEU A 45 -6.088 2.244 -5.906 1.00 0.46 O ATOM 666 CB LEU A 45 -3.078 1.950 -6.182 1.00 0.80 C ATOM 667 CG LEU A 45 -2.612 3.149 -5.337 1.00 0.71 C ATOM 668 CD1 LEU A 45 -1.627 2.784 -4.225 1.00 0.69 C ATOM 669 CD2 LEU A 45 -1.937 4.151 -6.264 1.00 1.30 C ATOM 0 H LEU A 45 -4.240 -0.028 -7.218 1.00 0.64 H new ATOM 0 HA LEU A 45 -3.575 0.752 -4.475 1.00 0.58 H new ATOM 0 HB2 LEU A 45 -2.209 1.373 -6.499 1.00 0.80 H new ATOM 0 HB3 LEU A 45 -3.566 2.314 -7.086 1.00 0.80 H new ATOM 0 HG LEU A 45 -3.498 3.555 -4.850 1.00 0.71 H new ATOM 0 HD11 LEU A 45 -1.348 3.684 -3.677 1.00 0.69 H new ATOM 0 HD12 LEU A 45 -2.095 2.074 -3.543 1.00 0.69 H new ATOM 0 HD13 LEU A 45 -0.735 2.334 -4.662 1.00 0.69 H new ATOM 0 HD21 LEU A 45 -1.598 5.011 -5.686 1.00 1.30 H new ATOM 0 HD22 LEU A 45 -1.082 3.680 -6.749 1.00 1.30 H new ATOM 0 HD23 LEU A 45 -2.647 4.481 -7.022 1.00 1.30 H new ATOM 681 N HIS A 46 -5.617 1.834 -3.750 1.00 0.40 N ATOM 682 CA HIS A 46 -6.762 2.524 -3.160 1.00 0.38 C ATOM 683 C HIS A 46 -6.352 3.693 -2.256 1.00 0.38 C ATOM 684 O HIS A 46 -5.233 3.782 -1.740 1.00 0.45 O ATOM 685 CB HIS A 46 -7.577 1.534 -2.316 1.00 0.43 C ATOM 686 CG HIS A 46 -8.300 0.418 -3.015 1.00 0.48 C ATOM 687 ND1 HIS A 46 -8.987 -0.575 -2.341 1.00 0.56 N ATOM 688 CD2 HIS A 46 -8.370 0.143 -4.349 1.00 0.50 C ATOM 689 CE1 HIS A 46 -9.426 -1.444 -3.252 1.00 0.62 C ATOM 690 NE2 HIS A 46 -9.066 -1.044 -4.484 1.00 0.59 N ATOM 0 H HIS A 46 -5.015 1.404 -3.047 1.00 0.40 H new ATOM 0 HA HIS A 46 -7.347 2.923 -3.988 1.00 0.38 H new ATOM 0 HB2 HIS A 46 -6.901 1.086 -1.588 1.00 0.43 H new ATOM 0 HB3 HIS A 46 -8.316 2.107 -1.755 1.00 0.43 H new ATOM 0 HD1 HIS A 46 -9.131 -0.632 -1.333 1.00 0.56 H new ATOM 0 HD2 HIS A 46 -7.959 0.740 -5.149 1.00 0.50 H new ATOM 0 HE1 HIS A 46 -9.989 -2.339 -3.032 1.00 0.62 H new ATOM 698 N GLU A 47 -7.339 4.545 -2.011 1.00 0.43 N ATOM 699 CA GLU A 47 -7.344 5.537 -0.948 1.00 0.48 C ATOM 700 C GLU A 47 -8.411 5.204 0.103 1.00 0.53 C ATOM 701 O GLU A 47 -9.065 4.154 0.034 1.00 0.69 O ATOM 702 CB GLU A 47 -7.358 6.947 -1.559 1.00 0.45 C ATOM 703 CG GLU A 47 -8.540 7.375 -2.429 1.00 0.54 C ATOM 704 CD GLU A 47 -9.768 7.761 -1.623 1.00 1.42 C ATOM 705 OE1 GLU A 47 -10.415 6.836 -1.095 1.00 3.18 O ATOM 706 OE2 GLU A 47 -10.147 8.961 -1.648 1.00 1.81 O ATOM 0 H GLU A 47 -8.191 4.563 -2.571 1.00 0.43 H new ATOM 0 HA GLU A 47 -6.423 5.513 -0.365 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -7.280 7.660 -0.738 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -6.454 7.053 -2.159 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -8.240 8.220 -3.048 1.00 0.54 H new ATOM 0 HG3 GLU A 47 -8.799 6.560 -3.105 1.00 0.54 H new ATOM 713 N THR A 48 -8.538 6.054 1.123 1.00 0.63 N ATOM 714 CA THR A 48 -9.591 6.000 2.140 1.00 0.68 C ATOM 715 C THR A 48 -9.854 7.434 2.569 1.00 0.68 C ATOM 716 O THR A 48 -8.911 8.208 2.731 1.00 0.76 O ATOM 717 CB THR A 48 -9.192 5.075 3.292 1.00 0.89 C ATOM 718 OG1 THR A 48 -9.253 3.780 2.746 1.00 1.27 O ATOM 719 CG2 THR A 48 -10.105 5.110 4.515 1.00 0.85 C ATOM 0 H THR A 48 -7.888 6.826 1.269 1.00 0.63 H new ATOM 0 HA THR A 48 -10.514 5.570 1.750 1.00 0.68 H new ATOM 0 HB THR A 48 -8.216 5.392 3.660 1.00 0.89 H new ATOM 0 HG1 THR A 48 -9.338 3.840 1.771 1.00 1.27 H new ATOM 0 HG21 THR A 48 -9.730 4.418 5.269 1.00 0.85 H new ATOM 0 HG22 THR A 48 -10.124 6.119 4.926 1.00 0.85 H new ATOM 0 HG23 THR A 48 -11.114 4.818 4.224 1.00 0.85 H new ATOM 727 N PHE A 49 -11.135 7.783 2.684 1.00 0.72 N ATOM 728 CA PHE A 49 -11.624 9.145 2.858 1.00 0.80 C ATOM 729 C PHE A 49 -12.643 9.278 3.993 1.00 0.76 C ATOM 730 O PHE A 49 -13.207 8.309 4.502 1.00 0.77 O ATOM 731 CB PHE A 49 -12.207 9.663 1.523 1.00 0.96 C ATOM 732 CG PHE A 49 -13.465 8.978 0.994 1.00 1.02 C ATOM 733 CD1 PHE A 49 -14.714 9.247 1.585 1.00 2.22 C ATOM 734 CD2 PHE A 49 -13.415 8.122 -0.124 1.00 1.78 C ATOM 735 CE1 PHE A 49 -15.889 8.662 1.088 1.00 2.33 C ATOM 736 CE2 PHE A 49 -14.590 7.543 -0.635 1.00 1.78 C ATOM 737 CZ PHE A 49 -15.830 7.817 -0.037 1.00 1.23 C ATOM 0 H PHE A 49 -11.888 7.095 2.657 1.00 0.72 H new ATOM 0 HA PHE A 49 -10.773 9.762 3.149 1.00 0.80 H new ATOM 0 HB2 PHE A 49 -12.425 10.725 1.640 1.00 0.96 H new ATOM 0 HB3 PHE A 49 -11.432 9.579 0.761 1.00 0.96 H new ATOM 0 HD1 PHE A 49 -14.769 9.913 2.433 1.00 2.22 H new ATOM 0 HD2 PHE A 49 -12.466 7.909 -0.593 1.00 1.78 H new ATOM 0 HE1 PHE A 49 -16.836 8.859 1.567 1.00 2.33 H new ATOM 0 HE2 PHE A 49 -14.538 6.885 -1.490 1.00 1.78 H new ATOM 0 HZ PHE A 49 -16.734 7.382 -0.437 1.00 1.23 H new ATOM 747 N MET A 50 -12.939 10.534 4.333 1.00 0.80 N ATOM 748 CA MET A 50 -14.045 10.925 5.216 1.00 0.86 C ATOM 749 C MET A 50 -15.146 11.638 4.429 1.00 0.82 C ATOM 750 O MET A 50 -14.861 12.474 3.575 1.00 0.81 O ATOM 751 CB MET A 50 -13.529 11.836 6.343 1.00 0.98 C ATOM 752 CG MET A 50 -13.063 11.030 7.561 1.00 2.26 C ATOM 753 SD MET A 50 -14.215 11.005 8.968 1.00 3.50 S ATOM 754 CE MET A 50 -15.687 10.233 8.259 1.00 5.77 C ATOM 0 H MET A 50 -12.402 11.332 3.993 1.00 0.80 H new ATOM 0 HA MET A 50 -14.467 10.020 5.654 1.00 0.86 H new ATOM 0 HB2 MET A 50 -12.703 12.442 5.971 1.00 0.98 H new ATOM 0 HB3 MET A 50 -14.319 12.524 6.644 1.00 0.98 H new ATOM 0 HG2 MET A 50 -12.878 10.003 7.246 1.00 2.26 H new ATOM 0 HG3 MET A 50 -12.110 11.436 7.901 1.00 2.26 H new ATOM 0 HE1 MET A 50 -16.313 9.840 9.060 1.00 5.77 H new ATOM 0 HE2 MET A 50 -16.248 10.974 7.690 1.00 5.77 H new ATOM 0 HE3 MET A 50 -15.389 9.419 7.599 1.00 5.77 H new ATOM 764 N ARG A 51 -16.405 11.329 4.751 1.00 0.90 N ATOM 765 CA ARG A 51 -17.598 12.083 4.337 1.00 0.91 C ATOM 766 C ARG A 51 -18.478 12.402 5.555 1.00 0.98 C ATOM 767 O ARG A 51 -18.654 11.546 6.424 1.00 1.03 O ATOM 768 CB ARG A 51 -18.426 11.305 3.299 1.00 1.11 C ATOM 769 CG ARG A 51 -17.890 11.515 1.877 1.00 1.41 C ATOM 770 CD ARG A 51 -18.760 10.798 0.837 1.00 1.75 C ATOM 771 NE ARG A 51 -18.209 10.961 -0.523 1.00 3.02 N ATOM 772 CZ ARG A 51 -18.497 11.933 -1.385 1.00 4.06 C ATOM 773 NH1 ARG A 51 -19.306 12.922 -1.067 1.00 4.26 N ATOM 774 NH2 ARG A 51 -17.974 11.928 -2.594 1.00 5.44 N ATOM 0 H ARG A 51 -16.633 10.519 5.327 1.00 0.90 H new ATOM 0 HA ARG A 51 -17.255 13.011 3.879 1.00 0.91 H new ATOM 0 HB2 ARG A 51 -18.409 10.242 3.542 1.00 1.11 H new ATOM 0 HB3 ARG A 51 -19.466 11.627 3.348 1.00 1.11 H new ATOM 0 HG2 ARG A 51 -17.858 12.581 1.653 1.00 1.41 H new ATOM 0 HG3 ARG A 51 -16.867 11.145 1.814 1.00 1.41 H new ATOM 0 HD2 ARG A 51 -18.824 9.738 1.082 1.00 1.75 H new ATOM 0 HD3 ARG A 51 -19.774 11.195 0.871 1.00 1.75 H new ATOM 0 HE ARG A 51 -17.539 10.257 -0.833 1.00 3.02 H new ATOM 0 HH11 ARG A 51 -19.730 12.956 -0.140 1.00 4.26 H new ATOM 0 HH12 ARG A 51 -19.509 13.654 -1.748 1.00 4.26 H new ATOM 0 HH21 ARG A 51 -17.344 11.176 -2.874 1.00 5.44 H new ATOM 0 HH22 ARG A 51 -18.199 12.676 -3.250 1.00 5.44 H new ATOM 788 N GLU A 52 -19.080 13.588 5.594 1.00 1.21 N ATOM 789 CA GLU A 52 -20.299 13.839 6.329 1.00 1.32 C ATOM 790 C GLU A 52 -21.478 13.557 5.393 1.00 1.35 C ATOM 791 O GLU A 52 -21.421 13.930 4.221 1.00 1.57 O ATOM 792 CB GLU A 52 -20.259 15.316 6.746 1.00 1.77 C ATOM 793 CG GLU A 52 -21.338 15.731 7.739 1.00 1.84 C ATOM 794 CD GLU A 52 -20.991 15.299 9.164 1.00 2.20 C ATOM 795 OE1 GLU A 52 -20.566 14.139 9.279 1.00 2.80 O ATOM 796 OE2 GLU A 52 -21.143 16.064 10.145 1.00 2.94 O ATOM 0 H GLU A 52 -18.722 14.409 5.106 1.00 1.21 H new ATOM 0 HA GLU A 52 -20.403 13.209 7.213 1.00 1.32 H new ATOM 0 HB2 GLU A 52 -19.283 15.529 7.182 1.00 1.77 H new ATOM 0 HB3 GLU A 52 -20.351 15.934 5.852 1.00 1.77 H new ATOM 0 HG2 GLU A 52 -21.465 16.813 7.707 1.00 1.84 H new ATOM 0 HG3 GLU A 52 -22.291 15.290 7.447 1.00 1.84 H new ATOM 803 N VAL A 53 -22.529 12.915 5.897 1.00 1.31 N ATOM 804 CA VAL A 53 -23.819 12.772 5.213 1.00 1.52 C ATOM 805 C VAL A 53 -24.892 13.099 6.244 1.00 1.59 C ATOM 806 O VAL A 53 -24.979 12.424 7.265 1.00 1.94 O ATOM 807 CB VAL A 53 -24.014 11.345 4.637 1.00 1.64 C ATOM 808 CG1 VAL A 53 -25.381 11.212 3.943 1.00 2.41 C ATOM 809 CG2 VAL A 53 -22.915 10.984 3.620 1.00 2.20 C ATOM 0 H VAL A 53 -22.511 12.468 6.814 1.00 1.31 H new ATOM 0 HA VAL A 53 -23.874 13.446 4.358 1.00 1.52 H new ATOM 0 HB VAL A 53 -23.958 10.660 5.483 1.00 1.64 H new ATOM 0 HG11 VAL A 53 -25.492 10.202 3.548 1.00 2.41 H new ATOM 0 HG12 VAL A 53 -26.175 11.409 4.663 1.00 2.41 H new ATOM 0 HG13 VAL A 53 -25.445 11.930 3.126 1.00 2.41 H new ATOM 0 HG21 VAL A 53 -23.087 9.977 3.240 1.00 2.20 H new ATOM 0 HG22 VAL A 53 -22.938 11.693 2.792 1.00 2.20 H new ATOM 0 HG23 VAL A 53 -21.941 11.026 4.107 1.00 2.20 H new ATOM 819 N GLU A 54 -25.657 14.171 6.014 1.00 1.75 N ATOM 820 CA GLU A 54 -26.794 14.582 6.860 1.00 1.88 C ATOM 821 C GLU A 54 -26.374 14.978 8.302 1.00 1.76 C ATOM 822 O GLU A 54 -27.091 14.722 9.273 1.00 1.84 O ATOM 823 CB GLU A 54 -27.855 13.466 6.857 1.00 2.00 C ATOM 824 CG GLU A 54 -29.288 14.004 7.016 1.00 3.17 C ATOM 825 CD GLU A 54 -30.082 13.199 8.038 1.00 3.81 C ATOM 826 OE1 GLU A 54 -30.065 11.953 7.960 1.00 3.58 O ATOM 827 OE2 GLU A 54 -30.580 13.804 9.011 1.00 5.09 O ATOM 0 H GLU A 54 -25.504 14.793 5.220 1.00 1.75 H new ATOM 0 HA GLU A 54 -27.221 15.489 6.432 1.00 1.88 H new ATOM 0 HB2 GLU A 54 -27.784 12.906 5.925 1.00 2.00 H new ATOM 0 HB3 GLU A 54 -27.643 12.767 7.666 1.00 2.00 H new ATOM 0 HG2 GLU A 54 -29.252 15.049 7.324 1.00 3.17 H new ATOM 0 HG3 GLU A 54 -29.797 13.973 6.053 1.00 3.17 H new ATOM 834 N GLY A 55 -25.160 15.527 8.463 1.00 1.77 N ATOM 835 CA GLY A 55 -24.563 15.845 9.772 1.00 1.89 C ATOM 836 C GLY A 55 -23.938 14.637 10.487 1.00 1.67 C ATOM 837 O GLY A 55 -23.597 14.720 11.669 1.00 1.94 O ATOM 0 H GLY A 55 -24.556 15.766 7.677 1.00 1.77 H new ATOM 0 HA2 GLY A 55 -23.797 16.608 9.634 1.00 1.89 H new ATOM 0 HA3 GLY A 55 -25.331 16.276 10.414 1.00 1.89 H new ATOM 841 N LYS A 56 -23.809 13.504 9.787 1.00 1.35 N ATOM 842 CA LYS A 56 -23.369 12.215 10.329 1.00 1.37 C ATOM 843 C LYS A 56 -22.180 11.671 9.519 1.00 1.37 C ATOM 844 O LYS A 56 -22.260 11.447 8.309 1.00 1.30 O ATOM 845 CB LYS A 56 -24.537 11.197 10.374 1.00 1.45 C ATOM 846 CG LYS A 56 -25.925 11.836 10.543 1.00 1.54 C ATOM 847 CD LYS A 56 -27.044 10.832 10.846 1.00 1.99 C ATOM 848 CE LYS A 56 -28.403 11.333 10.333 1.00 2.30 C ATOM 849 NZ LYS A 56 -28.703 12.751 10.662 1.00 3.06 N ATOM 0 H LYS A 56 -24.016 13.459 8.789 1.00 1.35 H new ATOM 0 HA LYS A 56 -23.037 12.370 11.355 1.00 1.37 H new ATOM 0 HB2 LYS A 56 -24.529 10.611 9.455 1.00 1.45 H new ATOM 0 HB3 LYS A 56 -24.367 10.502 11.196 1.00 1.45 H new ATOM 0 HG2 LYS A 56 -25.880 12.568 11.349 1.00 1.54 H new ATOM 0 HG3 LYS A 56 -26.176 12.380 9.632 1.00 1.54 H new ATOM 0 HD2 LYS A 56 -26.810 9.874 10.383 1.00 1.99 H new ATOM 0 HD3 LYS A 56 -27.100 10.661 11.921 1.00 1.99 H new ATOM 0 HE2 LYS A 56 -28.436 11.210 9.250 1.00 2.30 H new ATOM 0 HE3 LYS A 56 -29.189 10.703 10.750 1.00 2.30 H new ATOM 0 HZ1 LYS A 56 -29.681 12.972 10.386 1.00 3.06 H new ATOM 0 HZ2 LYS A 56 -28.590 12.901 11.685 1.00 3.06 H new ATOM 0 HZ3 LYS A 56 -28.048 13.373 10.146 1.00 3.06 H new ATOM 863 N LYS A 57 -21.055 11.480 10.199 1.00 1.59 N ATOM 864 CA LYS A 57 -19.774 11.151 9.617 1.00 1.61 C ATOM 865 C LYS A 57 -19.666 9.658 9.310 1.00 1.67 C ATOM 866 O LYS A 57 -20.000 8.815 10.136 1.00 2.00 O ATOM 867 CB LYS A 57 -18.618 11.679 10.500 1.00 1.88 C ATOM 868 CG LYS A 57 -18.860 12.199 11.940 1.00 2.63 C ATOM 869 CD LYS A 57 -19.482 13.603 11.896 1.00 2.69 C ATOM 870 CE LYS A 57 -19.667 14.403 13.173 1.00 3.14 C ATOM 871 NZ LYS A 57 -20.321 15.683 12.785 1.00 3.28 N ATOM 0 H LYS A 57 -21.017 11.555 11.216 1.00 1.59 H new ATOM 0 HA LYS A 57 -19.688 11.659 8.656 1.00 1.61 H new ATOM 0 HB2 LYS A 57 -17.886 10.875 10.574 1.00 1.88 H new ATOM 0 HB3 LYS A 57 -18.145 12.491 9.947 1.00 1.88 H new ATOM 0 HG2 LYS A 57 -19.520 11.517 12.475 1.00 2.63 H new ATOM 0 HG3 LYS A 57 -17.918 12.227 12.488 1.00 2.63 H new ATOM 0 HD2 LYS A 57 -18.870 14.205 11.225 1.00 2.69 H new ATOM 0 HD3 LYS A 57 -20.463 13.506 11.432 1.00 2.69 H new ATOM 0 HE2 LYS A 57 -20.282 13.855 13.887 1.00 3.14 H new ATOM 0 HE3 LYS A 57 -18.707 14.589 13.655 1.00 3.14 H new ATOM 0 HZ1 LYS A 57 -19.661 16.471 12.941 1.00 3.28 H new ATOM 0 HZ2 LYS A 57 -20.585 15.647 11.780 1.00 3.28 H new ATOM 0 HZ3 LYS A 57 -21.174 15.826 13.362 1.00 3.28 H new ATOM 885 N VAL A 58 -19.155 9.363 8.122 1.00 1.42 N ATOM 886 CA VAL A 58 -18.973 8.012 7.588 1.00 1.51 C ATOM 887 C VAL A 58 -17.766 7.998 6.647 1.00 1.41 C ATOM 888 O VAL A 58 -17.586 8.905 5.835 1.00 1.60 O ATOM 889 CB VAL A 58 -20.276 7.500 6.921 1.00 1.54 C ATOM 890 CG1 VAL A 58 -20.720 8.336 5.705 1.00 2.32 C ATOM 891 CG2 VAL A 58 -20.167 6.019 6.538 1.00 2.91 C ATOM 0 H VAL A 58 -18.842 10.086 7.474 1.00 1.42 H new ATOM 0 HA VAL A 58 -18.763 7.316 8.400 1.00 1.51 H new ATOM 0 HB VAL A 58 -21.051 7.616 7.678 1.00 1.54 H new ATOM 0 HG11 VAL A 58 -21.638 7.918 5.292 1.00 2.32 H new ATOM 0 HG12 VAL A 58 -20.898 9.365 6.017 1.00 2.32 H new ATOM 0 HG13 VAL A 58 -19.938 8.317 4.946 1.00 2.32 H new ATOM 0 HG21 VAL A 58 -21.098 5.694 6.073 1.00 2.91 H new ATOM 0 HG22 VAL A 58 -19.344 5.884 5.836 1.00 2.91 H new ATOM 0 HG23 VAL A 58 -19.981 5.425 7.433 1.00 2.91 H new ATOM 901 N MET A 59 -16.893 7.005 6.806 1.00 1.15 N ATOM 902 CA MET A 59 -15.721 6.828 5.944 1.00 1.02 C ATOM 903 C MET A 59 -16.072 6.076 4.664 1.00 0.96 C ATOM 904 O MET A 59 -17.121 5.443 4.557 1.00 1.07 O ATOM 905 CB MET A 59 -14.592 6.115 6.699 1.00 1.10 C ATOM 906 CG MET A 59 -14.002 7.025 7.779 1.00 1.20 C ATOM 907 SD MET A 59 -12.571 6.322 8.629 1.00 2.24 S ATOM 908 CE MET A 59 -11.268 6.853 7.491 1.00 3.62 C ATOM 0 H MET A 59 -16.977 6.298 7.537 1.00 1.15 H new ATOM 0 HA MET A 59 -15.373 7.820 5.658 1.00 1.02 H new ATOM 0 HB2 MET A 59 -14.974 5.202 7.155 1.00 1.10 H new ATOM 0 HB3 MET A 59 -13.810 5.819 5.999 1.00 1.10 H new ATOM 0 HG2 MET A 59 -13.712 7.972 7.324 1.00 1.20 H new ATOM 0 HG3 MET A 59 -14.775 7.248 8.514 1.00 1.20 H new ATOM 0 HE1 MET A 59 -10.460 6.122 7.497 1.00 3.62 H new ATOM 0 HE2 MET A 59 -11.676 6.935 6.484 1.00 3.62 H new ATOM 0 HE3 MET A 59 -10.883 7.823 7.806 1.00 3.62 H new ATOM 918 N GLY A 60 -15.158 6.134 3.701 1.00 0.85 N ATOM 919 CA GLY A 60 -15.207 5.321 2.495 1.00 0.87 C ATOM 920 C GLY A 60 -13.818 5.033 1.955 1.00 0.72 C ATOM 921 O GLY A 60 -12.819 5.476 2.507 1.00 0.68 O ATOM 0 H GLY A 60 -14.351 6.757 3.739 1.00 0.85 H new ATOM 0 HA2 GLY A 60 -15.716 4.381 2.710 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -15.794 5.834 1.734 1.00 0.87 H new ATOM 925 N MET A 61 -13.774 4.273 0.871 1.00 0.71 N ATOM 926 CA MET A 61 -12.561 3.824 0.189 1.00 0.60 C ATOM 927 C MET A 61 -12.879 3.738 -1.294 1.00 0.55 C ATOM 928 O MET A 61 -13.975 3.323 -1.671 1.00 0.67 O ATOM 929 CB MET A 61 -12.148 2.461 0.777 1.00 0.70 C ATOM 930 CG MET A 61 -11.288 1.559 -0.128 1.00 0.84 C ATOM 931 SD MET A 61 -11.065 -0.178 0.392 1.00 0.70 S ATOM 932 CE MET A 61 -11.187 -0.052 2.192 1.00 1.13 C ATOM 0 H MET A 61 -14.623 3.934 0.418 1.00 0.71 H new ATOM 0 HA MET A 61 -11.726 4.511 0.328 1.00 0.60 H new ATOM 0 HB2 MET A 61 -11.600 2.640 1.702 1.00 0.70 H new ATOM 0 HB3 MET A 61 -13.053 1.915 1.043 1.00 0.70 H new ATOM 0 HG2 MET A 61 -11.731 1.559 -1.124 1.00 0.84 H new ATOM 0 HG3 MET A 61 -10.301 2.014 -0.218 1.00 0.84 H new ATOM 0 HE1 MET A 61 -10.877 -0.994 2.644 1.00 1.13 H new ATOM 0 HE2 MET A 61 -10.539 0.750 2.545 1.00 1.13 H new ATOM 0 HE3 MET A 61 -12.218 0.164 2.473 1.00 1.13 H new ATOM 942 N ARG A 62 -11.919 4.090 -2.142 1.00 0.47 N ATOM 943 CA ARG A 62 -12.070 4.037 -3.599 1.00 0.47 C ATOM 944 C ARG A 62 -10.697 3.811 -4.267 1.00 0.42 C ATOM 945 O ARG A 62 -9.667 4.066 -3.631 1.00 0.40 O ATOM 946 CB ARG A 62 -12.815 5.303 -4.090 1.00 0.70 C ATOM 947 CG ARG A 62 -12.046 6.576 -3.755 1.00 1.31 C ATOM 948 CD ARG A 62 -12.528 7.844 -4.451 1.00 1.76 C ATOM 949 NE ARG A 62 -11.829 8.969 -3.828 1.00 2.83 N ATOM 950 CZ ARG A 62 -11.413 10.111 -4.343 1.00 3.84 C ATOM 951 NH1 ARG A 62 -11.732 10.502 -5.560 1.00 4.03 N ATOM 952 NH2 ARG A 62 -10.652 10.865 -3.587 1.00 4.82 N ATOM 0 H ARG A 62 -11.004 4.424 -1.839 1.00 0.47 H new ATOM 0 HA ARG A 62 -12.685 3.187 -3.893 1.00 0.47 H new ATOM 0 HB2 ARG A 62 -12.965 5.242 -5.168 1.00 0.70 H new ATOM 0 HB3 ARG A 62 -13.803 5.344 -3.632 1.00 0.70 H new ATOM 0 HG2 ARG A 62 -12.094 6.735 -2.678 1.00 1.31 H new ATOM 0 HG3 ARG A 62 -10.997 6.422 -4.008 1.00 1.31 H new ATOM 0 HD2 ARG A 62 -12.315 7.802 -5.519 1.00 1.76 H new ATOM 0 HD3 ARG A 62 -13.607 7.955 -4.345 1.00 1.76 H new ATOM 0 HE ARG A 62 -11.631 8.851 -2.834 1.00 2.83 H new ATOM 0 HH11 ARG A 62 -12.324 9.913 -6.146 1.00 4.03 H new ATOM 0 HH12 ARG A 62 -11.387 11.393 -5.916 1.00 4.03 H new ATOM 0 HH21 ARG A 62 -10.406 10.560 -2.645 1.00 4.82 H new ATOM 0 HH22 ARG A 62 -10.306 11.757 -3.941 1.00 4.82 H new ATOM 966 N PRO A 63 -10.644 3.285 -5.506 1.00 0.46 N ATOM 967 CA PRO A 63 -9.387 3.074 -6.212 1.00 0.45 C ATOM 968 C PRO A 63 -8.835 4.386 -6.778 1.00 0.43 C ATOM 969 O PRO A 63 -9.580 5.345 -6.976 1.00 0.47 O ATOM 970 CB PRO A 63 -9.699 2.058 -7.307 1.00 0.51 C ATOM 971 CG PRO A 63 -11.152 2.378 -7.654 1.00 0.56 C ATOM 972 CD PRO A 63 -11.750 2.762 -6.299 1.00 0.52 C ATOM 0 HA PRO A 63 -8.607 2.704 -5.547 1.00 0.45 H new ATOM 0 HB2 PRO A 63 -9.041 2.175 -8.168 1.00 0.51 H new ATOM 0 HB3 PRO A 63 -9.583 1.033 -6.954 1.00 0.51 H new ATOM 0 HG2 PRO A 63 -11.225 3.193 -8.374 1.00 0.56 H new ATOM 0 HG3 PRO A 63 -11.661 1.520 -8.092 1.00 0.56 H new ATOM 0 HD2 PRO A 63 -12.534 3.510 -6.416 1.00 0.52 H new ATOM 0 HD3 PRO A 63 -12.204 1.898 -5.814 1.00 0.52 H new ATOM 980 N VAL A 64 -7.530 4.395 -7.054 1.00 0.41 N ATOM 981 CA VAL A 64 -6.780 5.517 -7.650 1.00 0.38 C ATOM 982 C VAL A 64 -5.715 4.976 -8.631 1.00 0.36 C ATOM 983 O VAL A 64 -5.337 3.808 -8.512 1.00 0.37 O ATOM 984 CB VAL A 64 -6.129 6.415 -6.568 1.00 0.37 C ATOM 985 CG1 VAL A 64 -7.158 7.320 -5.875 1.00 0.59 C ATOM 986 CG2 VAL A 64 -5.365 5.603 -5.516 1.00 0.57 C ATOM 0 H VAL A 64 -6.935 3.589 -6.862 1.00 0.41 H new ATOM 0 HA VAL A 64 -7.486 6.141 -8.199 1.00 0.38 H new ATOM 0 HB VAL A 64 -5.414 7.043 -7.099 1.00 0.37 H new ATOM 0 HG11 VAL A 64 -6.657 7.932 -5.124 1.00 0.59 H new ATOM 0 HG12 VAL A 64 -7.630 7.967 -6.614 1.00 0.59 H new ATOM 0 HG13 VAL A 64 -7.918 6.705 -5.394 1.00 0.59 H new ATOM 0 HG21 VAL A 64 -4.928 6.279 -4.781 1.00 0.57 H new ATOM 0 HG22 VAL A 64 -6.050 4.918 -5.017 1.00 0.57 H new ATOM 0 HG23 VAL A 64 -4.572 5.033 -6.001 1.00 0.57 H new ATOM 996 N PRO A 65 -5.257 5.766 -9.627 1.00 0.37 N ATOM 997 CA PRO A 65 -4.469 5.253 -10.749 1.00 0.39 C ATOM 998 C PRO A 65 -2.969 5.147 -10.447 1.00 0.36 C ATOM 999 O PRO A 65 -2.294 4.341 -11.080 1.00 0.37 O ATOM 1000 CB PRO A 65 -4.743 6.231 -11.894 1.00 0.44 C ATOM 1001 CG PRO A 65 -4.921 7.566 -11.171 1.00 0.44 C ATOM 1002 CD PRO A 65 -5.605 7.163 -9.866 1.00 0.40 C ATOM 0 HA PRO A 65 -4.759 4.230 -10.988 1.00 0.39 H new ATOM 0 HB2 PRO A 65 -3.916 6.263 -12.604 1.00 0.44 H new ATOM 0 HB3 PRO A 65 -5.635 5.954 -12.456 1.00 0.44 H new ATOM 0 HG2 PRO A 65 -3.965 8.057 -10.990 1.00 0.44 H new ATOM 0 HG3 PRO A 65 -5.532 8.260 -11.749 1.00 0.44 H new ATOM 0 HD2 PRO A 65 -5.269 7.792 -9.042 1.00 0.40 H new ATOM 0 HD3 PRO A 65 -6.685 7.286 -9.941 1.00 0.40 H new ATOM 1010 N PHE A 66 -2.460 5.945 -9.499 1.00 0.36 N ATOM 1011 CA PHE A 66 -1.054 6.018 -9.081 1.00 0.35 C ATOM 1012 C PHE A 66 -0.875 6.990 -7.900 1.00 0.37 C ATOM 1013 O PHE A 66 -1.774 7.774 -7.590 1.00 0.38 O ATOM 1014 CB PHE A 66 -0.131 6.395 -10.260 1.00 0.36 C ATOM 1015 CG PHE A 66 -0.388 7.760 -10.858 1.00 0.39 C ATOM 1016 CD1 PHE A 66 0.252 8.885 -10.319 1.00 1.67 C ATOM 1017 CD2 PHE A 66 -1.290 7.909 -11.925 1.00 1.64 C ATOM 1018 CE1 PHE A 66 -0.047 10.168 -10.796 1.00 1.65 C ATOM 1019 CE2 PHE A 66 -1.569 9.193 -12.430 1.00 1.70 C ATOM 1020 CZ PHE A 66 -0.955 10.324 -11.859 1.00 0.51 C ATOM 0 H PHE A 66 -3.050 6.592 -8.975 1.00 0.36 H new ATOM 0 HA PHE A 66 -0.761 5.024 -8.742 1.00 0.35 H new ATOM 0 HB2 PHE A 66 0.904 6.352 -9.920 1.00 0.36 H new ATOM 0 HB3 PHE A 66 -0.241 5.645 -11.043 1.00 0.36 H new ATOM 0 HD1 PHE A 66 0.980 8.762 -9.531 1.00 1.67 H new ATOM 0 HD2 PHE A 66 -1.768 7.042 -12.356 1.00 1.64 H new ATOM 0 HE1 PHE A 66 0.418 11.034 -10.349 1.00 1.65 H new ATOM 0 HE2 PHE A 66 -2.255 9.311 -13.256 1.00 1.70 H new ATOM 0 HZ PHE A 66 -1.181 11.310 -12.237 1.00 0.51 H new ATOM 1030 N LEU A 67 0.319 6.981 -7.300 1.00 0.42 N ATOM 1031 CA LEU A 67 0.856 8.070 -6.471 1.00 0.49 C ATOM 1032 C LEU A 67 2.058 8.718 -7.151 1.00 0.52 C ATOM 1033 O LEU A 67 2.763 8.062 -7.916 1.00 0.50 O ATOM 1034 CB LEU A 67 1.323 7.550 -5.098 1.00 0.58 C ATOM 1035 CG LEU A 67 0.306 6.737 -4.286 1.00 0.62 C ATOM 1036 CD1 LEU A 67 0.925 6.390 -2.931 1.00 0.69 C ATOM 1037 CD2 LEU A 67 -1.009 7.485 -4.057 1.00 0.68 C ATOM 0 H LEU A 67 0.960 6.192 -7.379 1.00 0.42 H new ATOM 0 HA LEU A 67 0.052 8.794 -6.340 1.00 0.49 H new ATOM 0 HB2 LEU A 67 2.208 6.932 -5.251 1.00 0.58 H new ATOM 0 HB3 LEU A 67 1.632 8.406 -4.497 1.00 0.58 H new ATOM 0 HG LEU A 67 0.070 5.840 -4.859 1.00 0.62 H new ATOM 0 HD11 LEU A 67 0.212 5.812 -2.343 1.00 0.69 H new ATOM 0 HD12 LEU A 67 1.830 5.803 -3.084 1.00 0.69 H new ATOM 0 HD13 LEU A 67 1.174 7.308 -2.399 1.00 0.69 H new ATOM 0 HD21 LEU A 67 -1.687 6.859 -3.477 1.00 0.68 H new ATOM 0 HD22 LEU A 67 -0.812 8.408 -3.512 1.00 0.68 H new ATOM 0 HD23 LEU A 67 -1.465 7.721 -5.018 1.00 0.68 H new ATOM 1049 N GLU A 68 2.307 9.982 -6.820 1.00 0.60 N ATOM 1050 CA GLU A 68 3.472 10.760 -7.243 1.00 0.68 C ATOM 1051 C GLU A 68 4.323 11.048 -6.005 1.00 0.72 C ATOM 1052 O GLU A 68 3.757 11.351 -4.953 1.00 0.80 O ATOM 1053 CB GLU A 68 2.992 12.098 -7.837 1.00 0.79 C ATOM 1054 CG GLU A 68 4.121 12.956 -8.427 1.00 0.86 C ATOM 1055 CD GLU A 68 4.409 12.552 -9.878 1.00 0.77 C ATOM 1056 OE1 GLU A 68 4.608 11.349 -10.140 1.00 1.76 O ATOM 1057 OE2 GLU A 68 4.355 13.417 -10.780 1.00 2.08 O ATOM 0 H GLU A 68 1.676 10.517 -6.224 1.00 0.60 H new ATOM 0 HA GLU A 68 4.048 10.211 -7.988 1.00 0.68 H new ATOM 0 HB2 GLU A 68 2.257 11.896 -8.616 1.00 0.79 H new ATOM 0 HB3 GLU A 68 2.484 12.668 -7.060 1.00 0.79 H new ATOM 0 HG2 GLU A 68 3.843 14.009 -8.386 1.00 0.86 H new ATOM 0 HG3 GLU A 68 5.023 12.841 -7.827 1.00 0.86 H new ATOM 1064 N VAL A 69 5.655 11.017 -6.131 1.00 0.73 N ATOM 1065 CA VAL A 69 6.557 11.495 -5.068 1.00 0.79 C ATOM 1066 C VAL A 69 7.809 12.193 -5.629 1.00 0.74 C ATOM 1067 O VAL A 69 8.503 11.608 -6.461 1.00 0.74 O ATOM 1068 CB VAL A 69 7.003 10.354 -4.109 1.00 0.88 C ATOM 1069 CG1 VAL A 69 7.722 10.899 -2.860 1.00 1.03 C ATOM 1070 CG2 VAL A 69 5.865 9.437 -3.635 1.00 0.94 C ATOM 0 H VAL A 69 6.136 10.666 -6.959 1.00 0.73 H new ATOM 0 HA VAL A 69 5.971 12.221 -4.504 1.00 0.79 H new ATOM 0 HB VAL A 69 7.683 9.759 -4.719 1.00 0.88 H new ATOM 0 HG11 VAL A 69 8.016 10.069 -2.218 1.00 1.03 H new ATOM 0 HG12 VAL A 69 8.609 11.454 -3.164 1.00 1.03 H new ATOM 0 HG13 VAL A 69 7.050 11.560 -2.313 1.00 1.03 H new ATOM 0 HG21 VAL A 69 6.267 8.672 -2.971 1.00 0.94 H new ATOM 0 HG22 VAL A 69 5.121 10.027 -3.100 1.00 0.94 H new ATOM 0 HG23 VAL A 69 5.398 8.961 -4.497 1.00 0.94 H new ATOM 1080 N PRO A 70 8.150 13.418 -5.170 1.00 0.79 N ATOM 1081 CA PRO A 70 9.327 14.153 -5.637 1.00 0.80 C ATOM 1082 C PRO A 70 10.646 13.502 -5.172 1.00 0.78 C ATOM 1083 O PRO A 70 10.624 12.645 -4.283 1.00 0.80 O ATOM 1084 CB PRO A 70 9.162 15.572 -5.075 1.00 0.89 C ATOM 1085 CG PRO A 70 8.371 15.350 -3.788 1.00 0.91 C ATOM 1086 CD PRO A 70 7.437 14.206 -4.172 1.00 0.89 C ATOM 0 HA PRO A 70 9.389 14.153 -6.725 1.00 0.80 H new ATOM 0 HB2 PRO A 70 10.126 16.042 -4.879 1.00 0.89 H new ATOM 0 HB3 PRO A 70 8.627 16.220 -5.769 1.00 0.89 H new ATOM 0 HG2 PRO A 70 9.019 15.083 -2.953 1.00 0.91 H new ATOM 0 HG3 PRO A 70 7.820 16.242 -3.491 1.00 0.91 H new ATOM 0 HD2 PRO A 70 7.187 13.599 -3.302 1.00 0.89 H new ATOM 0 HD3 PRO A 70 6.499 14.588 -4.575 1.00 0.89 H new ATOM 1094 N PRO A 71 11.804 13.915 -5.738 1.00 0.81 N ATOM 1095 CA PRO A 71 13.137 13.528 -5.269 1.00 0.86 C ATOM 1096 C PRO A 71 13.299 13.718 -3.754 1.00 0.98 C ATOM 1097 O PRO A 71 12.729 14.650 -3.191 1.00 1.16 O ATOM 1098 CB PRO A 71 14.126 14.394 -6.060 1.00 1.09 C ATOM 1099 CG PRO A 71 13.367 14.756 -7.332 1.00 0.97 C ATOM 1100 CD PRO A 71 11.917 14.827 -6.869 1.00 0.86 C ATOM 0 HA PRO A 71 13.315 12.466 -5.437 1.00 0.86 H new ATOM 0 HB2 PRO A 71 14.413 15.284 -5.500 1.00 1.09 H new ATOM 0 HB3 PRO A 71 15.043 13.849 -6.284 1.00 1.09 H new ATOM 0 HG2 PRO A 71 13.704 15.707 -7.744 1.00 0.97 H new ATOM 0 HG3 PRO A 71 13.504 14.005 -8.110 1.00 0.97 H new ATOM 0 HD2 PRO A 71 11.651 15.843 -6.577 1.00 0.86 H new ATOM 0 HD3 PRO A 71 11.238 14.538 -7.671 1.00 0.86 H new ATOM 1108 N LYS A 72 14.073 12.842 -3.096 1.00 0.98 N ATOM 1109 CA LYS A 72 14.390 12.858 -1.654 1.00 1.17 C ATOM 1110 C LYS A 72 13.223 12.423 -0.731 1.00 1.32 C ATOM 1111 O LYS A 72 13.447 12.171 0.454 1.00 1.64 O ATOM 1112 CB LYS A 72 14.944 14.228 -1.197 1.00 1.60 C ATOM 1113 CG LYS A 72 15.872 15.013 -2.145 1.00 2.02 C ATOM 1114 CD LYS A 72 17.061 14.247 -2.737 1.00 1.74 C ATOM 1115 CE LYS A 72 18.026 13.744 -1.659 1.00 3.12 C ATOM 1116 NZ LYS A 72 19.206 13.085 -2.276 1.00 2.97 N ATOM 0 H LYS A 72 14.519 12.061 -3.577 1.00 0.98 H new ATOM 0 HA LYS A 72 15.166 12.101 -1.545 1.00 1.17 H new ATOM 0 HB2 LYS A 72 14.092 14.867 -0.967 1.00 1.60 H new ATOM 0 HB3 LYS A 72 15.485 14.070 -0.264 1.00 1.60 H new ATOM 0 HG2 LYS A 72 15.270 15.397 -2.969 1.00 2.02 H new ATOM 0 HG3 LYS A 72 16.259 15.876 -1.604 1.00 2.02 H new ATOM 0 HD2 LYS A 72 16.692 13.400 -3.315 1.00 1.74 H new ATOM 0 HD3 LYS A 72 17.599 14.895 -3.429 1.00 1.74 H new ATOM 0 HE2 LYS A 72 18.353 14.578 -1.038 1.00 3.12 H new ATOM 0 HE3 LYS A 72 17.512 13.041 -1.003 1.00 3.12 H new ATOM 0 HZ1 LYS A 72 19.796 12.662 -1.531 1.00 2.97 H new ATOM 0 HZ2 LYS A 72 18.886 12.341 -2.929 1.00 2.97 H new ATOM 0 HZ3 LYS A 72 19.762 13.790 -2.801 1.00 2.97 H new ATOM 1130 N GLY A 73 11.984 12.357 -1.237 1.00 1.23 N ATOM 1131 CA GLY A 73 10.772 12.205 -0.415 1.00 1.33 C ATOM 1132 C GLY A 73 10.522 10.777 0.073 1.00 1.25 C ATOM 1133 O GLY A 73 10.980 9.810 -0.535 1.00 1.20 O ATOM 0 H GLY A 73 11.791 12.408 -2.237 1.00 1.23 H new ATOM 0 HA2 GLY A 73 10.847 12.865 0.449 1.00 1.33 H new ATOM 0 HA3 GLY A 73 9.910 12.536 -0.994 1.00 1.33 H new ATOM 1137 N ARG A 74 9.730 10.638 1.145 1.00 1.35 N ATOM 1138 CA ARG A 74 9.224 9.348 1.630 1.00 1.31 C ATOM 1139 C ARG A 74 8.073 8.897 0.725 1.00 1.72 C ATOM 1140 O ARG A 74 7.208 9.688 0.363 1.00 2.36 O ATOM 1141 CB ARG A 74 8.714 9.460 3.079 1.00 1.89 C ATOM 1142 CG ARG A 74 9.824 9.531 4.141 1.00 1.49 C ATOM 1143 CD ARG A 74 10.566 8.212 4.362 1.00 1.84 C ATOM 1144 NE ARG A 74 10.837 7.955 5.786 1.00 2.48 N ATOM 1145 CZ ARG A 74 11.723 8.544 6.568 1.00 3.12 C ATOM 1146 NH1 ARG A 74 12.612 9.404 6.124 1.00 4.01 N ATOM 1147 NH2 ARG A 74 11.719 8.236 7.840 1.00 3.87 N ATOM 0 H ARG A 74 9.419 11.430 1.707 1.00 1.35 H new ATOM 0 HA ARG A 74 10.038 8.623 1.608 1.00 1.31 H new ATOM 0 HB2 ARG A 74 8.090 10.350 3.164 1.00 1.89 H new ATOM 0 HB3 ARG A 74 8.077 8.602 3.294 1.00 1.89 H new ATOM 0 HG2 ARG A 74 10.544 10.295 3.847 1.00 1.49 H new ATOM 0 HG3 ARG A 74 9.387 9.852 5.087 1.00 1.49 H new ATOM 0 HD2 ARG A 74 9.975 7.392 3.953 1.00 1.84 H new ATOM 0 HD3 ARG A 74 11.507 8.231 3.813 1.00 1.84 H new ATOM 0 HE ARG A 74 10.268 7.230 6.224 1.00 2.48 H new ATOM 0 HH11 ARG A 74 12.639 9.644 5.133 1.00 4.01 H new ATOM 0 HH12 ARG A 74 13.275 9.832 6.770 1.00 4.01 H new ATOM 0 HH21 ARG A 74 11.045 7.560 8.199 1.00 3.87 H new ATOM 0 HH22 ARG A 74 12.390 8.672 8.472 1.00 3.87 H new ATOM 1161 N VAL A 75 8.072 7.614 0.380 1.00 2.03 N ATOM 1162 CA VAL A 75 7.165 6.948 -0.564 1.00 3.10 C ATOM 1163 C VAL A 75 6.250 6.042 0.256 1.00 2.41 C ATOM 1164 O VAL A 75 6.325 4.819 0.200 1.00 2.38 O ATOM 1165 CB VAL A 75 7.948 6.162 -1.645 1.00 4.53 C ATOM 1166 CG1 VAL A 75 7.034 5.607 -2.752 1.00 5.66 C ATOM 1167 CG2 VAL A 75 9.035 7.026 -2.315 1.00 5.31 C ATOM 0 H VAL A 75 8.749 6.962 0.777 1.00 2.03 H new ATOM 0 HA VAL A 75 6.572 7.682 -1.110 1.00 3.10 H new ATOM 0 HB VAL A 75 8.410 5.332 -1.110 1.00 4.53 H new ATOM 0 HG11 VAL A 75 7.635 5.065 -3.483 1.00 5.66 H new ATOM 0 HG12 VAL A 75 6.300 4.931 -2.313 1.00 5.66 H new ATOM 0 HG13 VAL A 75 6.519 6.431 -3.246 1.00 5.66 H new ATOM 0 HG21 VAL A 75 9.559 6.434 -3.066 1.00 5.31 H new ATOM 0 HG22 VAL A 75 8.571 7.889 -2.792 1.00 5.31 H new ATOM 0 HG23 VAL A 75 9.745 7.366 -1.561 1.00 5.31 H new ATOM 1177 N GLU A 76 5.461 6.681 1.114 1.00 2.03 N ATOM 1178 CA GLU A 76 4.529 6.046 2.046 1.00 1.32 C ATOM 1179 C GLU A 76 3.100 6.076 1.496 1.00 1.37 C ATOM 1180 O GLU A 76 2.612 7.098 1.017 1.00 1.91 O ATOM 1181 CB GLU A 76 4.614 6.668 3.456 1.00 1.41 C ATOM 1182 CG GLU A 76 4.745 8.203 3.515 1.00 2.30 C ATOM 1183 CD GLU A 76 3.607 8.899 4.263 1.00 2.69 C ATOM 1184 OE1 GLU A 76 2.444 8.445 4.206 1.00 3.62 O ATOM 1185 OE2 GLU A 76 3.849 9.940 4.912 1.00 3.07 O ATOM 0 H GLU A 76 5.452 7.699 1.184 1.00 2.03 H new ATOM 0 HA GLU A 76 4.823 5.001 2.147 1.00 1.32 H new ATOM 0 HB2 GLU A 76 3.723 6.378 4.013 1.00 1.41 H new ATOM 0 HB3 GLU A 76 5.469 6.231 3.973 1.00 1.41 H new ATOM 0 HG2 GLU A 76 5.690 8.458 3.995 1.00 2.30 H new ATOM 0 HG3 GLU A 76 4.788 8.592 2.498 1.00 2.30 H new ATOM 1192 N LEU A 77 2.428 4.931 1.608 1.00 0.94 N ATOM 1193 CA LEU A 77 0.990 4.823 1.460 1.00 0.91 C ATOM 1194 C LEU A 77 0.370 5.143 2.822 1.00 1.16 C ATOM 1195 O LEU A 77 0.287 4.291 3.704 1.00 1.80 O ATOM 1196 CB LEU A 77 0.634 3.425 0.927 1.00 0.80 C ATOM 1197 CG LEU A 77 0.562 3.395 -0.607 1.00 0.86 C ATOM 1198 CD1 LEU A 77 1.924 3.451 -1.307 1.00 0.96 C ATOM 1199 CD2 LEU A 77 -0.170 2.133 -1.046 1.00 1.00 C ATOM 0 H LEU A 77 2.883 4.040 1.808 1.00 0.94 H new ATOM 0 HA LEU A 77 0.589 5.528 0.732 1.00 0.91 H new ATOM 0 HB2 LEU A 77 1.379 2.706 1.269 1.00 0.80 H new ATOM 0 HB3 LEU A 77 -0.325 3.112 1.341 1.00 0.80 H new ATOM 0 HG LEU A 77 0.029 4.298 -0.904 1.00 0.86 H new ATOM 0 HD11 LEU A 77 1.779 3.425 -2.387 1.00 0.96 H new ATOM 0 HD12 LEU A 77 2.437 4.372 -1.032 1.00 0.96 H new ATOM 0 HD13 LEU A 77 2.526 2.595 -1.001 1.00 0.96 H new ATOM 0 HD21 LEU A 77 -0.225 2.104 -2.134 1.00 1.00 H new ATOM 0 HD22 LEU A 77 0.369 1.256 -0.687 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -1.178 2.134 -0.631 1.00 1.00 H new ATOM 1211 N LYS A 78 0.001 6.412 3.002 1.00 1.73 N ATOM 1212 CA LYS A 78 -0.394 6.984 4.292 1.00 2.01 C ATOM 1213 C LYS A 78 -1.385 6.105 5.092 1.00 1.67 C ATOM 1214 O LYS A 78 -2.538 6.004 4.661 1.00 1.49 O ATOM 1215 CB LYS A 78 -0.955 8.391 4.008 1.00 2.46 C ATOM 1216 CG LYS A 78 -1.606 9.139 5.189 1.00 1.61 C ATOM 1217 CD LYS A 78 -0.783 9.349 6.481 1.00 2.24 C ATOM 1218 CE LYS A 78 0.745 9.514 6.373 1.00 2.32 C ATOM 1219 NZ LYS A 78 1.208 10.558 5.428 1.00 2.55 N ATOM 0 H LYS A 78 -0.033 7.087 2.238 1.00 1.73 H new ATOM 0 HA LYS A 78 0.479 7.038 4.943 1.00 2.01 H new ATOM 0 HB2 LYS A 78 -0.143 9.008 3.623 1.00 2.46 H new ATOM 0 HB3 LYS A 78 -1.695 8.306 3.212 1.00 2.46 H new ATOM 0 HG2 LYS A 78 -1.912 10.121 4.829 1.00 1.61 H new ATOM 0 HG3 LYS A 78 -2.515 8.601 5.460 1.00 1.61 H new ATOM 0 HD2 LYS A 78 -1.175 10.234 6.981 1.00 2.24 H new ATOM 0 HD3 LYS A 78 -0.977 8.500 7.137 1.00 2.24 H new ATOM 0 HE2 LYS A 78 1.139 9.744 7.363 1.00 2.32 H new ATOM 0 HE3 LYS A 78 1.176 8.559 6.072 1.00 2.32 H new ATOM 0 HZ1 LYS A 78 2.248 10.567 5.403 1.00 2.55 H new ATOM 0 HZ2 LYS A 78 0.840 10.353 4.477 1.00 2.55 H new ATOM 0 HZ3 LYS A 78 0.861 11.487 5.740 1.00 2.55 H new ATOM 1233 N PRO A 79 -1.007 5.581 6.281 1.00 1.91 N ATOM 1234 CA PRO A 79 -1.900 4.799 7.133 1.00 1.95 C ATOM 1235 C PRO A 79 -3.164 5.566 7.516 1.00 1.88 C ATOM 1236 O PRO A 79 -3.132 6.780 7.722 1.00 3.71 O ATOM 1237 CB PRO A 79 -1.078 4.321 8.331 1.00 2.49 C ATOM 1238 CG PRO A 79 0.097 5.294 8.374 1.00 2.76 C ATOM 1239 CD PRO A 79 0.310 5.647 6.903 1.00 2.46 C ATOM 0 HA PRO A 79 -2.284 3.933 6.594 1.00 1.95 H new ATOM 0 HB2 PRO A 79 -1.658 4.353 9.253 1.00 2.49 H new ATOM 0 HB3 PRO A 79 -0.742 3.292 8.201 1.00 2.49 H new ATOM 0 HG2 PRO A 79 -0.132 6.177 8.971 1.00 2.76 H new ATOM 0 HG3 PRO A 79 0.984 4.835 8.811 1.00 2.76 H new ATOM 0 HD2 PRO A 79 0.742 6.642 6.799 1.00 2.46 H new ATOM 0 HD3 PRO A 79 1.001 4.949 6.430 1.00 2.46 H new ATOM 1247 N GLY A 80 -4.286 4.839 7.528 1.00 0.97 N ATOM 1248 CA GLY A 80 -5.643 5.392 7.620 1.00 1.24 C ATOM 1249 C GLY A 80 -6.223 5.873 6.281 1.00 1.53 C ATOM 1250 O GLY A 80 -7.441 5.994 6.179 1.00 2.73 O ATOM 0 H GLY A 80 -4.276 3.821 7.472 1.00 0.97 H new ATOM 0 HA2 GLY A 80 -6.304 4.633 8.037 1.00 1.24 H new ATOM 0 HA3 GLY A 80 -5.635 6.227 8.320 1.00 1.24 H new ATOM 1254 N GLY A 81 -5.386 6.141 5.269 1.00 0.84 N ATOM 1255 CA GLY A 81 -5.790 6.621 3.942 1.00 1.00 C ATOM 1256 C GLY A 81 -5.383 5.680 2.808 1.00 1.07 C ATOM 1257 O GLY A 81 -6.050 4.689 2.510 1.00 1.83 O ATOM 0 H GLY A 81 -4.376 6.026 5.355 1.00 0.84 H new ATOM 0 HA2 GLY A 81 -6.872 6.752 3.925 1.00 1.00 H new ATOM 0 HA3 GLY A 81 -5.347 7.602 3.768 1.00 1.00 H new ATOM 1261 N TYR A 82 -4.272 6.001 2.143 1.00 0.67 N ATOM 1262 CA TYR A 82 -3.830 5.276 0.950 1.00 0.58 C ATOM 1263 C TYR A 82 -3.231 3.924 1.302 1.00 0.55 C ATOM 1264 O TYR A 82 -2.484 3.792 2.259 1.00 0.62 O ATOM 1265 CB TYR A 82 -2.815 6.081 0.147 1.00 0.65 C ATOM 1266 CG TYR A 82 -3.406 7.280 -0.560 1.00 0.68 C ATOM 1267 CD1 TYR A 82 -3.588 8.502 0.115 1.00 1.83 C ATOM 1268 CD2 TYR A 82 -3.788 7.163 -1.906 1.00 1.71 C ATOM 1269 CE1 TYR A 82 -4.117 9.615 -0.565 1.00 1.81 C ATOM 1270 CE2 TYR A 82 -4.300 8.273 -2.595 1.00 1.77 C ATOM 1271 CZ TYR A 82 -4.464 9.508 -1.932 1.00 0.75 C ATOM 1272 OH TYR A 82 -4.956 10.584 -2.607 1.00 0.79 O ATOM 0 H TYR A 82 -3.656 6.767 2.414 1.00 0.67 H new ATOM 0 HA TYR A 82 -4.720 5.119 0.340 1.00 0.58 H new ATOM 0 HB2 TYR A 82 -2.023 6.419 0.816 1.00 0.65 H new ATOM 0 HB3 TYR A 82 -2.351 5.428 -0.592 1.00 0.65 H new ATOM 0 HD1 TYR A 82 -3.321 8.586 1.158 1.00 1.83 H new ATOM 0 HD2 TYR A 82 -3.687 6.215 -2.413 1.00 1.71 H new ATOM 0 HE1 TYR A 82 -4.258 10.550 -0.043 1.00 1.81 H new ATOM 0 HE2 TYR A 82 -4.570 8.182 -3.637 1.00 1.77 H new ATOM 0 HH TYR A 82 -5.140 10.331 -3.536 1.00 0.79 H new ATOM 1282 N HIS A 83 -3.582 2.921 0.511 1.00 0.49 N ATOM 1283 CA HIS A 83 -3.215 1.523 0.746 1.00 0.49 C ATOM 1284 C HIS A 83 -3.335 0.698 -0.541 1.00 0.45 C ATOM 1285 O HIS A 83 -4.236 0.932 -1.346 1.00 0.49 O ATOM 1286 CB HIS A 83 -4.067 0.932 1.877 1.00 0.57 C ATOM 1287 CG HIS A 83 -5.535 0.858 1.571 1.00 0.57 C ATOM 1288 ND1 HIS A 83 -6.468 1.861 1.747 1.00 0.59 N ATOM 1289 CD2 HIS A 83 -6.167 -0.194 0.969 1.00 0.59 C ATOM 1290 CE1 HIS A 83 -7.630 1.424 1.241 1.00 0.58 C ATOM 1291 NE2 HIS A 83 -7.499 0.166 0.794 1.00 0.60 N ATOM 0 H HIS A 83 -4.142 3.054 -0.331 1.00 0.49 H new ATOM 0 HA HIS A 83 -2.171 1.486 1.056 1.00 0.49 H new ATOM 0 HB2 HIS A 83 -3.704 -0.071 2.104 1.00 0.57 H new ATOM 0 HB3 HIS A 83 -3.925 1.533 2.775 1.00 0.57 H new ATOM 0 HD1 HIS A 83 -6.303 2.769 2.182 1.00 0.59 H new ATOM 0 HD2 HIS A 83 -5.715 -1.132 0.682 1.00 0.59 H new ATOM 0 HE1 HIS A 83 -8.541 2.002 1.199 1.00 0.58 H new ATOM 1299 N PHE A 84 -2.482 -0.311 -0.720 1.00 0.41 N ATOM 1300 CA PHE A 84 -2.716 -1.319 -1.753 1.00 0.46 C ATOM 1301 C PHE A 84 -3.701 -2.356 -1.193 1.00 0.47 C ATOM 1302 O PHE A 84 -3.455 -2.923 -0.129 1.00 0.62 O ATOM 1303 CB PHE A 84 -1.402 -1.983 -2.187 1.00 0.56 C ATOM 1304 CG PHE A 84 -0.600 -1.182 -3.198 1.00 0.67 C ATOM 1305 CD1 PHE A 84 -1.022 -1.119 -4.540 1.00 2.02 C ATOM 1306 CD2 PHE A 84 0.563 -0.499 -2.812 1.00 1.46 C ATOM 1307 CE1 PHE A 84 -0.284 -0.383 -5.481 1.00 2.19 C ATOM 1308 CE2 PHE A 84 1.292 0.257 -3.749 1.00 1.41 C ATOM 1309 CZ PHE A 84 0.872 0.314 -5.086 1.00 1.00 C ATOM 0 H PHE A 84 -1.634 -0.451 -0.171 1.00 0.41 H new ATOM 0 HA PHE A 84 -3.138 -0.848 -2.641 1.00 0.46 H new ATOM 0 HB2 PHE A 84 -0.786 -2.153 -1.304 1.00 0.56 H new ATOM 0 HB3 PHE A 84 -1.626 -2.961 -2.612 1.00 0.56 H new ATOM 0 HD1 PHE A 84 -1.917 -1.639 -4.847 1.00 2.02 H new ATOM 0 HD2 PHE A 84 0.902 -0.554 -1.788 1.00 1.46 H new ATOM 0 HE1 PHE A 84 -0.605 -0.352 -6.512 1.00 2.19 H new ATOM 0 HE2 PHE A 84 2.176 0.794 -3.438 1.00 1.41 H new ATOM 0 HZ PHE A 84 1.433 0.889 -5.808 1.00 1.00 H new ATOM 1319 N MET A 85 -4.790 -2.634 -1.907 1.00 0.43 N ATOM 1320 CA MET A 85 -5.668 -3.790 -1.706 1.00 0.46 C ATOM 1321 C MET A 85 -4.991 -5.027 -2.296 1.00 0.47 C ATOM 1322 O MET A 85 -4.322 -4.914 -3.319 1.00 0.77 O ATOM 1323 CB MET A 85 -7.015 -3.561 -2.392 1.00 0.60 C ATOM 1324 CG MET A 85 -8.140 -4.196 -1.563 1.00 0.70 C ATOM 1325 SD MET A 85 -8.486 -3.295 -0.023 1.00 0.74 S ATOM 1326 CE MET A 85 -9.400 -4.554 0.916 1.00 0.92 C ATOM 0 H MET A 85 -5.099 -2.037 -2.674 1.00 0.43 H new ATOM 0 HA MET A 85 -5.845 -3.932 -0.640 1.00 0.46 H new ATOM 0 HB2 MET A 85 -7.196 -2.493 -2.508 1.00 0.60 H new ATOM 0 HB3 MET A 85 -7.001 -3.993 -3.393 1.00 0.60 H new ATOM 0 HG2 MET A 85 -9.048 -4.237 -2.165 1.00 0.70 H new ATOM 0 HG3 MET A 85 -7.870 -5.224 -1.323 1.00 0.70 H new ATOM 0 HE1 MET A 85 -9.682 -4.149 1.888 1.00 0.92 H new ATOM 0 HE2 MET A 85 -10.298 -4.837 0.366 1.00 0.92 H new ATOM 0 HE3 MET A 85 -8.769 -5.432 1.058 1.00 0.92 H new ATOM 1336 N LEU A 86 -5.153 -6.180 -1.652 1.00 0.55 N ATOM 1337 CA LEU A 86 -4.473 -7.433 -1.989 1.00 0.47 C ATOM 1338 C LEU A 86 -5.520 -8.539 -2.130 1.00 0.50 C ATOM 1339 O LEU A 86 -6.179 -8.891 -1.152 1.00 0.57 O ATOM 1340 CB LEU A 86 -3.491 -7.751 -0.852 1.00 0.50 C ATOM 1341 CG LEU A 86 -2.329 -6.750 -0.719 1.00 0.81 C ATOM 1342 CD1 LEU A 86 -1.825 -6.736 0.729 1.00 1.64 C ATOM 1343 CD2 LEU A 86 -1.171 -7.137 -1.633 1.00 1.97 C ATOM 0 H LEU A 86 -5.782 -6.274 -0.854 1.00 0.55 H new ATOM 0 HA LEU A 86 -3.928 -7.353 -2.929 1.00 0.47 H new ATOM 0 HB2 LEU A 86 -4.040 -7.779 0.089 1.00 0.50 H new ATOM 0 HB3 LEU A 86 -3.080 -8.748 -1.011 1.00 0.50 H new ATOM 0 HG LEU A 86 -2.696 -5.764 -1.004 1.00 0.81 H new ATOM 0 HD11 LEU A 86 -1.002 -6.027 0.821 1.00 1.64 H new ATOM 0 HD12 LEU A 86 -2.636 -6.439 1.394 1.00 1.64 H new ATOM 0 HD13 LEU A 86 -1.478 -7.732 1.003 1.00 1.64 H new ATOM 0 HD21 LEU A 86 -0.362 -6.415 -1.521 1.00 1.97 H new ATOM 0 HD22 LEU A 86 -0.811 -8.130 -1.363 1.00 1.97 H new ATOM 0 HD23 LEU A 86 -1.511 -7.143 -2.669 1.00 1.97 H new ATOM 1355 N LEU A 87 -5.715 -9.041 -3.351 1.00 0.58 N ATOM 1356 CA LEU A 87 -6.846 -9.891 -3.727 1.00 0.66 C ATOM 1357 C LEU A 87 -6.346 -11.298 -4.093 1.00 0.65 C ATOM 1358 O LEU A 87 -5.412 -11.454 -4.882 1.00 0.75 O ATOM 1359 CB LEU A 87 -7.581 -9.240 -4.922 1.00 0.86 C ATOM 1360 CG LEU A 87 -8.477 -7.999 -4.686 1.00 1.07 C ATOM 1361 CD1 LEU A 87 -9.701 -8.329 -3.828 1.00 1.58 C ATOM 1362 CD2 LEU A 87 -7.747 -6.808 -4.051 1.00 2.43 C ATOM 0 H LEU A 87 -5.075 -8.863 -4.125 1.00 0.58 H new ATOM 0 HA LEU A 87 -7.537 -9.987 -2.890 1.00 0.66 H new ATOM 0 HB2 LEU A 87 -6.826 -8.962 -5.657 1.00 0.86 H new ATOM 0 HB3 LEU A 87 -8.203 -10.009 -5.380 1.00 0.86 H new ATOM 0 HG LEU A 87 -8.788 -7.705 -5.689 1.00 1.07 H new ATOM 0 HD11 LEU A 87 -10.301 -7.430 -3.688 1.00 1.58 H new ATOM 0 HD12 LEU A 87 -10.300 -9.091 -4.327 1.00 1.58 H new ATOM 0 HD13 LEU A 87 -9.375 -8.702 -2.857 1.00 1.58 H new ATOM 0 HD21 LEU A 87 -8.445 -5.981 -3.920 1.00 2.43 H new ATOM 0 HD22 LEU A 87 -7.346 -7.102 -3.081 1.00 2.43 H new ATOM 0 HD23 LEU A 87 -6.930 -6.493 -4.701 1.00 2.43 H new ATOM 1374 N GLY A 88 -6.988 -12.339 -3.549 1.00 0.63 N ATOM 1375 CA GLY A 88 -6.730 -13.744 -3.906 1.00 0.72 C ATOM 1376 C GLY A 88 -5.484 -14.335 -3.243 1.00 0.92 C ATOM 1377 O GLY A 88 -4.654 -14.930 -3.930 1.00 1.80 O ATOM 0 H GLY A 88 -7.712 -12.230 -2.838 1.00 0.63 H new ATOM 0 HA2 GLY A 88 -7.596 -14.344 -3.628 1.00 0.72 H new ATOM 0 HA3 GLY A 88 -6.624 -13.820 -4.988 1.00 0.72 H new ATOM 1381 N LEU A 89 -5.334 -14.123 -1.929 1.00 0.45 N ATOM 1382 CA LEU A 89 -4.164 -14.479 -1.121 1.00 0.45 C ATOM 1383 C LEU A 89 -3.637 -15.904 -1.251 1.00 0.51 C ATOM 1384 O LEU A 89 -4.359 -16.858 -1.541 1.00 0.66 O ATOM 1385 CB LEU A 89 -4.344 -14.182 0.375 1.00 0.50 C ATOM 1386 CG LEU A 89 -5.088 -12.898 0.786 1.00 0.48 C ATOM 1387 CD1 LEU A 89 -5.000 -12.801 2.308 1.00 0.58 C ATOM 1388 CD2 LEU A 89 -4.513 -11.619 0.159 1.00 0.51 C ATOM 0 H LEU A 89 -6.064 -13.676 -1.374 1.00 0.45 H new ATOM 0 HA LEU A 89 -3.415 -13.824 -1.565 1.00 0.45 H new ATOM 0 HB2 LEU A 89 -4.871 -15.027 0.819 1.00 0.50 H new ATOM 0 HB3 LEU A 89 -3.353 -14.150 0.828 1.00 0.50 H new ATOM 0 HG LEU A 89 -6.114 -12.968 0.426 1.00 0.48 H new ATOM 0 HD11 LEU A 89 -5.516 -11.902 2.646 1.00 0.58 H new ATOM 0 HD12 LEU A 89 -5.467 -13.678 2.756 1.00 0.58 H new ATOM 0 HD13 LEU A 89 -3.954 -12.754 2.610 1.00 0.58 H new ATOM 0 HD21 LEU A 89 -5.090 -10.758 0.496 1.00 0.51 H new ATOM 0 HD22 LEU A 89 -3.473 -11.501 0.463 1.00 0.51 H new ATOM 0 HD23 LEU A 89 -4.568 -11.690 -0.927 1.00 0.51 H new ATOM 1400 N LYS A 90 -2.335 -16.014 -0.976 1.00 0.57 N ATOM 1401 CA LYS A 90 -1.563 -17.254 -1.135 1.00 0.68 C ATOM 1402 C LYS A 90 -0.987 -17.788 0.186 1.00 0.87 C ATOM 1403 O LYS A 90 -0.911 -18.996 0.398 1.00 0.89 O ATOM 1404 CB LYS A 90 -0.453 -17.033 -2.167 1.00 0.71 C ATOM 1405 CG LYS A 90 -0.850 -16.278 -3.460 1.00 0.69 C ATOM 1406 CD LYS A 90 -1.965 -17.044 -4.158 1.00 1.00 C ATOM 1407 CE LYS A 90 -2.402 -16.474 -5.506 1.00 1.14 C ATOM 1408 NZ LYS A 90 -3.742 -17.008 -5.842 1.00 1.94 N ATOM 0 H LYS A 90 -1.777 -15.233 -0.631 1.00 0.57 H new ATOM 0 HA LYS A 90 -2.251 -18.022 -1.487 1.00 0.68 H new ATOM 0 HB2 LYS A 90 0.355 -16.483 -1.686 1.00 0.71 H new ATOM 0 HB3 LYS A 90 -0.052 -18.006 -2.450 1.00 0.71 H new ATOM 0 HG2 LYS A 90 -1.181 -15.268 -3.220 1.00 0.69 H new ATOM 0 HG3 LYS A 90 0.012 -16.183 -4.120 1.00 0.69 H new ATOM 0 HD2 LYS A 90 -1.639 -18.074 -4.306 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -2.831 -17.075 -3.497 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -2.430 -15.385 -5.463 1.00 1.14 H new ATOM 0 HE3 LYS A 90 -1.684 -16.744 -6.280 1.00 1.14 H new ATOM 0 HZ1 LYS A 90 -3.947 -16.824 -6.845 1.00 1.94 H new ATOM 0 HZ2 LYS A 90 -3.761 -18.033 -5.667 1.00 1.94 H new ATOM 0 HZ3 LYS A 90 -4.460 -16.542 -5.251 1.00 1.94 H new ATOM 1422 N ARG A 91 -0.634 -16.862 1.076 1.00 1.06 N ATOM 1423 CA ARG A 91 -0.536 -17.081 2.523 1.00 1.13 C ATOM 1424 C ARG A 91 -1.758 -16.402 3.158 1.00 1.04 C ATOM 1425 O ARG A 91 -2.002 -15.245 2.802 1.00 1.04 O ATOM 1426 CB ARG A 91 0.739 -16.435 3.105 1.00 1.28 C ATOM 1427 CG ARG A 91 2.017 -17.248 2.837 1.00 1.42 C ATOM 1428 CD ARG A 91 3.338 -16.510 3.136 1.00 2.81 C ATOM 1429 NE ARG A 91 3.497 -16.042 4.527 1.00 3.38 N ATOM 1430 CZ ARG A 91 4.437 -15.201 4.960 1.00 4.89 C ATOM 1431 NH1 ARG A 91 5.326 -14.623 4.178 1.00 6.11 N ATOM 1432 NH2 ARG A 91 4.516 -14.906 6.229 1.00 5.68 N ATOM 0 H ARG A 91 -0.400 -15.907 0.804 1.00 1.06 H new ATOM 0 HA ARG A 91 -0.497 -18.150 2.730 1.00 1.13 H new ATOM 0 HB2 ARG A 91 0.857 -15.438 2.681 1.00 1.28 H new ATOM 0 HB3 ARG A 91 0.615 -16.312 4.181 1.00 1.28 H new ATOM 0 HG2 ARG A 91 1.983 -18.157 3.437 1.00 1.42 H new ATOM 0 HG3 ARG A 91 2.020 -17.556 1.792 1.00 1.42 H new ATOM 0 HD2 ARG A 91 4.169 -17.174 2.896 1.00 2.81 H new ATOM 0 HD3 ARG A 91 3.414 -15.651 2.470 1.00 2.81 H new ATOM 0 HE ARG A 91 2.831 -16.392 5.216 1.00 3.38 H new ATOM 0 HH11 ARG A 91 5.321 -14.810 3.175 1.00 6.11 H new ATOM 0 HH12 ARG A 91 6.019 -13.989 4.575 1.00 6.11 H new ATOM 0 HH21 ARG A 91 3.858 -15.319 6.890 1.00 5.68 H new ATOM 0 HH22 ARG A 91 5.235 -14.263 6.559 1.00 5.68 H new ATOM 1446 N PRO A 92 -2.487 -17.054 4.083 1.00 1.09 N ATOM 1447 CA PRO A 92 -3.305 -16.348 5.056 1.00 1.16 C ATOM 1448 C PRO A 92 -2.350 -15.656 6.031 1.00 1.12 C ATOM 1449 O PRO A 92 -1.364 -16.263 6.449 1.00 1.39 O ATOM 1450 CB PRO A 92 -4.151 -17.427 5.735 1.00 1.35 C ATOM 1451 CG PRO A 92 -3.257 -18.667 5.682 1.00 1.32 C ATOM 1452 CD PRO A 92 -2.447 -18.481 4.397 1.00 1.19 C ATOM 0 HA PRO A 92 -3.959 -15.586 4.631 1.00 1.16 H new ATOM 0 HB2 PRO A 92 -4.400 -17.155 6.761 1.00 1.35 H new ATOM 0 HB3 PRO A 92 -5.093 -17.588 5.210 1.00 1.35 H new ATOM 0 HG2 PRO A 92 -2.610 -18.731 6.557 1.00 1.32 H new ATOM 0 HG3 PRO A 92 -3.846 -19.584 5.654 1.00 1.32 H new ATOM 0 HD2 PRO A 92 -1.420 -18.819 4.534 1.00 1.19 H new ATOM 0 HD3 PRO A 92 -2.871 -19.069 3.583 1.00 1.19 H new ATOM 1460 N LEU A 93 -2.602 -14.388 6.366 1.00 1.08 N ATOM 1461 CA LEU A 93 -1.706 -13.627 7.242 1.00 1.11 C ATOM 1462 C LEU A 93 -2.234 -13.601 8.681 1.00 1.22 C ATOM 1463 O LEU A 93 -3.431 -13.731 8.925 1.00 1.68 O ATOM 1464 CB LEU A 93 -1.475 -12.201 6.694 1.00 1.40 C ATOM 1465 CG LEU A 93 -0.766 -12.039 5.328 1.00 1.29 C ATOM 1466 CD1 LEU A 93 0.382 -13.035 5.098 1.00 2.44 C ATOM 1467 CD2 LEU A 93 -1.756 -12.084 4.159 1.00 1.22 C ATOM 0 H LEU A 93 -3.418 -13.867 6.045 1.00 1.08 H new ATOM 0 HA LEU A 93 -0.740 -14.131 7.258 1.00 1.11 H new ATOM 0 HB2 LEU A 93 -2.447 -11.712 6.623 1.00 1.40 H new ATOM 0 HB3 LEU A 93 -0.895 -11.651 7.435 1.00 1.40 H new ATOM 0 HG LEU A 93 -0.313 -11.048 5.366 1.00 1.29 H new ATOM 0 HD11 LEU A 93 0.828 -12.857 4.119 1.00 2.44 H new ATOM 0 HD12 LEU A 93 1.139 -12.902 5.871 1.00 2.44 H new ATOM 0 HD13 LEU A 93 -0.005 -14.053 5.140 1.00 2.44 H new ATOM 0 HD21 LEU A 93 -1.216 -11.966 3.220 1.00 1.22 H new ATOM 0 HD22 LEU A 93 -2.277 -13.041 4.160 1.00 1.22 H new ATOM 0 HD23 LEU A 93 -2.480 -11.276 4.264 1.00 1.22 H new ATOM 1479 N LYS A 94 -1.321 -13.354 9.626 1.00 1.21 N ATOM 1480 CA LYS A 94 -1.568 -13.072 11.050 1.00 1.35 C ATOM 1481 C LYS A 94 -0.381 -12.346 11.694 1.00 1.03 C ATOM 1482 O LYS A 94 0.718 -12.325 11.149 1.00 1.51 O ATOM 1483 CB LYS A 94 -2.028 -14.311 11.856 1.00 2.01 C ATOM 1484 CG LYS A 94 -1.387 -15.673 11.538 1.00 1.71 C ATOM 1485 CD LYS A 94 0.144 -15.746 11.522 1.00 2.04 C ATOM 1486 CE LYS A 94 0.810 -15.676 12.905 1.00 3.55 C ATOM 1487 NZ LYS A 94 2.289 -15.597 12.783 1.00 4.45 N ATOM 0 H LYS A 94 -0.325 -13.344 9.406 1.00 1.21 H new ATOM 0 HA LYS A 94 -2.417 -12.389 11.085 1.00 1.35 H new ATOM 0 HB2 LYS A 94 -1.856 -14.102 12.912 1.00 2.01 H new ATOM 0 HB3 LYS A 94 -3.105 -14.412 11.722 1.00 2.01 H new ATOM 0 HG2 LYS A 94 -1.751 -16.395 12.269 1.00 1.71 H new ATOM 0 HG3 LYS A 94 -1.750 -15.996 10.562 1.00 1.71 H new ATOM 0 HD2 LYS A 94 0.444 -16.675 11.037 1.00 2.04 H new ATOM 0 HD3 LYS A 94 0.526 -14.929 10.909 1.00 2.04 H new ATOM 0 HE2 LYS A 94 0.440 -14.806 13.447 1.00 3.55 H new ATOM 0 HE3 LYS A 94 0.537 -16.555 13.489 1.00 3.55 H new ATOM 0 HZ1 LYS A 94 2.730 -16.117 13.568 1.00 4.45 H new ATOM 0 HZ2 LYS A 94 2.586 -16.017 11.879 1.00 4.45 H new ATOM 0 HZ3 LYS A 94 2.587 -14.601 12.816 1.00 4.45 H new ATOM 1501 N ALA A 95 -0.613 -11.731 12.849 1.00 1.05 N ATOM 1502 CA ALA A 95 0.355 -10.921 13.565 1.00 0.98 C ATOM 1503 C ALA A 95 1.566 -11.773 13.967 1.00 1.00 C ATOM 1504 O ALA A 95 1.443 -12.953 14.307 1.00 1.10 O ATOM 1505 CB ALA A 95 -0.325 -10.250 14.763 1.00 1.13 C ATOM 0 H ALA A 95 -1.513 -11.787 13.326 1.00 1.05 H new ATOM 0 HA ALA A 95 0.732 -10.128 12.919 1.00 0.98 H new ATOM 0 HB1 ALA A 95 0.402 -9.642 15.301 1.00 1.13 H new ATOM 0 HB2 ALA A 95 -1.139 -9.616 14.411 1.00 1.13 H new ATOM 0 HB3 ALA A 95 -0.723 -11.014 15.431 1.00 1.13 H new ATOM 1511 N GLY A 96 2.734 -11.157 13.846 1.00 1.04 N ATOM 1512 CA GLY A 96 4.021 -11.843 13.973 1.00 1.11 C ATOM 1513 C GLY A 96 4.304 -12.744 12.772 1.00 1.25 C ATOM 1514 O GLY A 96 4.613 -13.918 12.951 1.00 1.93 O ATOM 0 H GLY A 96 2.820 -10.159 13.655 1.00 1.04 H new ATOM 0 HA2 GLY A 96 4.818 -11.106 14.070 1.00 1.11 H new ATOM 0 HA3 GLY A 96 4.026 -12.440 14.885 1.00 1.11 H new ATOM 1518 N GLU A 97 4.129 -12.211 11.564 1.00 1.04 N ATOM 1519 CA GLU A 97 4.823 -12.652 10.344 1.00 1.05 C ATOM 1520 C GLU A 97 5.497 -11.431 9.697 1.00 0.97 C ATOM 1521 O GLU A 97 5.206 -10.290 10.068 1.00 0.93 O ATOM 1522 CB GLU A 97 3.870 -13.219 9.265 1.00 1.03 C ATOM 1523 CG GLU A 97 2.719 -14.126 9.689 1.00 1.31 C ATOM 1524 CD GLU A 97 2.900 -15.602 9.350 1.00 1.26 C ATOM 1525 OE1 GLU A 97 2.833 -15.931 8.144 1.00 1.83 O ATOM 1526 OE2 GLU A 97 3.016 -16.387 10.318 1.00 2.56 O ATOM 0 H GLU A 97 3.484 -11.439 11.397 1.00 1.04 H new ATOM 0 HA GLU A 97 5.519 -13.432 10.654 1.00 1.05 H new ATOM 0 HB2 GLU A 97 3.440 -12.372 8.730 1.00 1.03 H new ATOM 0 HB3 GLU A 97 4.478 -13.773 8.550 1.00 1.03 H new ATOM 0 HG2 GLU A 97 2.580 -14.031 10.766 1.00 1.31 H new ATOM 0 HG3 GLU A 97 1.803 -13.770 9.216 1.00 1.31 H new ATOM 1533 N GLU A 98 6.235 -11.661 8.614 1.00 1.00 N ATOM 1534 CA GLU A 98 6.656 -10.714 7.624 1.00 0.93 C ATOM 1535 C GLU A 98 6.480 -11.372 6.248 1.00 0.92 C ATOM 1536 O GLU A 98 6.313 -12.588 6.089 1.00 1.16 O ATOM 1537 CB GLU A 98 8.100 -10.225 7.869 1.00 1.17 C ATOM 1538 CG GLU A 98 9.150 -11.324 8.092 1.00 1.63 C ATOM 1539 CD GLU A 98 9.205 -11.750 9.561 1.00 2.84 C ATOM 1540 OE1 GLU A 98 9.810 -10.981 10.340 1.00 3.38 O ATOM 1541 OE2 GLU A 98 8.626 -12.815 9.878 1.00 4.25 O ATOM 0 H GLU A 98 6.575 -12.599 8.403 1.00 1.00 H new ATOM 0 HA GLU A 98 6.043 -9.815 7.678 1.00 0.93 H new ATOM 0 HB2 GLU A 98 8.409 -9.622 7.015 1.00 1.17 H new ATOM 0 HB3 GLU A 98 8.098 -9.569 8.739 1.00 1.17 H new ATOM 0 HG2 GLU A 98 8.914 -12.187 7.469 1.00 1.63 H new ATOM 0 HG3 GLU A 98 10.130 -10.963 7.779 1.00 1.63 H new ATOM 1548 N VAL A 99 6.472 -10.496 5.261 1.00 0.73 N ATOM 1549 CA VAL A 99 6.235 -10.751 3.832 1.00 0.77 C ATOM 1550 C VAL A 99 6.923 -9.677 2.985 1.00 0.67 C ATOM 1551 O VAL A 99 7.059 -8.540 3.439 1.00 0.69 O ATOM 1552 CB VAL A 99 4.726 -10.719 3.464 1.00 0.89 C ATOM 1553 CG1 VAL A 99 4.472 -11.545 2.192 1.00 1.51 C ATOM 1554 CG2 VAL A 99 3.765 -11.243 4.541 1.00 0.96 C ATOM 0 H VAL A 99 6.643 -9.507 5.440 1.00 0.73 H new ATOM 0 HA VAL A 99 6.635 -11.745 3.631 1.00 0.77 H new ATOM 0 HB VAL A 99 4.513 -9.658 3.333 1.00 0.89 H new ATOM 0 HG11 VAL A 99 3.411 -11.515 1.944 1.00 1.51 H new ATOM 0 HG12 VAL A 99 5.049 -11.129 1.366 1.00 1.51 H new ATOM 0 HG13 VAL A 99 4.776 -12.578 2.362 1.00 1.51 H new ATOM 0 HG21 VAL A 99 2.739 -11.174 4.178 1.00 0.96 H new ATOM 0 HG22 VAL A 99 4.002 -12.283 4.765 1.00 0.96 H new ATOM 0 HG23 VAL A 99 3.871 -10.644 5.445 1.00 0.96 H new ATOM 1564 N GLU A 100 7.276 -9.989 1.737 1.00 0.67 N ATOM 1565 CA GLU A 100 7.552 -8.956 0.737 1.00 0.54 C ATOM 1566 C GLU A 100 6.288 -8.403 0.042 1.00 0.71 C ATOM 1567 O GLU A 100 5.376 -9.125 -0.375 1.00 0.70 O ATOM 1568 CB GLU A 100 8.602 -9.404 -0.294 1.00 0.72 C ATOM 1569 CG GLU A 100 8.246 -10.673 -1.071 1.00 1.47 C ATOM 1570 CD GLU A 100 8.844 -11.912 -0.422 1.00 1.98 C ATOM 1571 OE1 GLU A 100 8.197 -12.418 0.518 1.00 3.64 O ATOM 1572 OE2 GLU A 100 9.949 -12.307 -0.865 1.00 2.30 O ATOM 0 H GLU A 100 7.377 -10.945 1.395 1.00 0.67 H new ATOM 0 HA GLU A 100 7.973 -8.126 1.305 1.00 0.54 H new ATOM 0 HB2 GLU A 100 8.760 -8.593 -1.005 1.00 0.72 H new ATOM 0 HB3 GLU A 100 9.549 -9.565 0.221 1.00 0.72 H new ATOM 0 HG2 GLU A 100 7.162 -10.776 -1.124 1.00 1.47 H new ATOM 0 HG3 GLU A 100 8.608 -10.587 -2.095 1.00 1.47 H new ATOM 1579 N LEU A 101 6.311 -7.086 -0.164 1.00 0.97 N ATOM 1580 CA LEU A 101 5.654 -6.418 -1.287 1.00 0.89 C ATOM 1581 C LEU A 101 6.736 -5.892 -2.243 1.00 0.89 C ATOM 1582 O LEU A 101 7.913 -5.838 -1.896 1.00 0.97 O ATOM 1583 CB LEU A 101 4.713 -5.286 -0.801 1.00 0.92 C ATOM 1584 CG LEU A 101 3.221 -5.660 -0.906 1.00 1.03 C ATOM 1585 CD1 LEU A 101 2.796 -6.712 0.126 1.00 1.71 C ATOM 1586 CD2 LEU A 101 2.334 -4.422 -0.752 1.00 1.89 C ATOM 0 H LEU A 101 6.797 -6.441 0.458 1.00 0.97 H new ATOM 0 HA LEU A 101 5.022 -7.130 -1.818 1.00 0.89 H new ATOM 0 HB2 LEU A 101 4.950 -5.043 0.235 1.00 0.92 H new ATOM 0 HB3 LEU A 101 4.900 -4.388 -1.389 1.00 0.92 H new ATOM 0 HG LEU A 101 3.090 -6.091 -1.899 1.00 1.03 H new ATOM 0 HD11 LEU A 101 1.736 -6.935 0.003 1.00 1.71 H new ATOM 0 HD12 LEU A 101 3.378 -7.622 -0.021 1.00 1.71 H new ATOM 0 HD13 LEU A 101 2.972 -6.328 1.131 1.00 1.71 H new ATOM 0 HD21 LEU A 101 1.286 -4.713 -0.830 1.00 1.89 H new ATOM 0 HD22 LEU A 101 2.512 -3.965 0.222 1.00 1.89 H new ATOM 0 HD23 LEU A 101 2.571 -3.705 -1.538 1.00 1.89 H new ATOM 1598 N ASP A 102 6.316 -5.481 -3.429 1.00 1.12 N ATOM 1599 CA ASP A 102 7.111 -4.873 -4.500 1.00 1.11 C ATOM 1600 C ASP A 102 6.400 -3.597 -4.966 1.00 0.96 C ATOM 1601 O ASP A 102 5.178 -3.597 -5.101 1.00 1.05 O ATOM 1602 CB ASP A 102 7.136 -5.832 -5.701 1.00 1.14 C ATOM 1603 CG ASP A 102 8.141 -6.987 -5.686 1.00 1.37 C ATOM 1604 OD1 ASP A 102 9.139 -6.923 -4.939 1.00 2.55 O ATOM 1605 OD2 ASP A 102 7.880 -7.935 -6.468 1.00 1.44 O ATOM 0 H ASP A 102 5.335 -5.568 -3.695 1.00 1.12 H new ATOM 0 HA ASP A 102 8.118 -4.663 -4.139 1.00 1.11 H new ATOM 0 HB2 ASP A 102 6.139 -6.260 -5.806 1.00 1.14 H new ATOM 0 HB3 ASP A 102 7.324 -5.239 -6.596 1.00 1.14 H new ATOM 1610 N LEU A 103 7.144 -2.535 -5.262 1.00 0.81 N ATOM 1611 CA LEU A 103 6.639 -1.277 -5.806 1.00 0.68 C ATOM 1612 C LEU A 103 6.948 -1.200 -7.298 1.00 0.59 C ATOM 1613 O LEU A 103 8.104 -1.335 -7.698 1.00 0.67 O ATOM 1614 CB LEU A 103 7.318 -0.106 -5.081 1.00 0.72 C ATOM 1615 CG LEU A 103 6.744 0.176 -3.688 1.00 0.92 C ATOM 1616 CD1 LEU A 103 7.070 -0.925 -2.680 1.00 1.13 C ATOM 1617 CD2 LEU A 103 7.301 1.514 -3.186 1.00 1.17 C ATOM 0 H LEU A 103 8.155 -2.526 -5.124 1.00 0.81 H new ATOM 0 HA LEU A 103 5.560 -1.225 -5.661 1.00 0.68 H new ATOM 0 HB2 LEU A 103 8.383 -0.317 -4.989 1.00 0.72 H new ATOM 0 HB3 LEU A 103 7.222 0.792 -5.692 1.00 0.72 H new ATOM 0 HG LEU A 103 5.658 0.213 -3.777 1.00 0.92 H new ATOM 0 HD11 LEU A 103 6.638 -0.671 -1.712 1.00 1.13 H new ATOM 0 HD12 LEU A 103 6.653 -1.871 -3.027 1.00 1.13 H new ATOM 0 HD13 LEU A 103 8.151 -1.020 -2.582 1.00 1.13 H new ATOM 0 HD21 LEU A 103 6.900 1.726 -2.195 1.00 1.17 H new ATOM 0 HD22 LEU A 103 8.388 1.459 -3.133 1.00 1.17 H new ATOM 0 HD23 LEU A 103 7.011 2.309 -3.873 1.00 1.17 H new ATOM 1629 N LEU A 104 5.923 -0.937 -8.112 1.00 0.53 N ATOM 1630 CA LEU A 104 6.043 -0.729 -9.551 1.00 0.57 C ATOM 1631 C LEU A 104 6.013 0.778 -9.834 1.00 0.61 C ATOM 1632 O LEU A 104 4.962 1.428 -9.749 1.00 0.50 O ATOM 1633 CB LEU A 104 4.908 -1.477 -10.281 1.00 0.56 C ATOM 1634 CG LEU A 104 4.732 -2.973 -9.934 1.00 0.56 C ATOM 1635 CD1 LEU A 104 3.580 -3.556 -10.766 1.00 0.68 C ATOM 1636 CD2 LEU A 104 5.999 -3.801 -10.179 1.00 0.68 C ATOM 0 H LEU A 104 4.963 -0.862 -7.776 1.00 0.53 H new ATOM 0 HA LEU A 104 6.987 -1.129 -9.921 1.00 0.57 H new ATOM 0 HB2 LEU A 104 3.970 -0.965 -10.068 1.00 0.56 H new ATOM 0 HB3 LEU A 104 5.080 -1.394 -11.354 1.00 0.56 H new ATOM 0 HG LEU A 104 4.513 -3.029 -8.868 1.00 0.56 H new ATOM 0 HD11 LEU A 104 3.454 -4.611 -10.523 1.00 0.68 H new ATOM 0 HD12 LEU A 104 2.659 -3.019 -10.539 1.00 0.68 H new ATOM 0 HD13 LEU A 104 3.809 -3.453 -11.827 1.00 0.68 H new ATOM 0 HD21 LEU A 104 5.810 -4.842 -9.916 1.00 0.68 H new ATOM 0 HD22 LEU A 104 6.278 -3.737 -11.231 1.00 0.68 H new ATOM 0 HD23 LEU A 104 6.811 -3.413 -9.564 1.00 0.68 H new ATOM 1648 N PHE A 105 7.169 1.346 -10.180 1.00 0.83 N ATOM 1649 CA PHE A 105 7.315 2.757 -10.526 1.00 0.81 C ATOM 1650 C PHE A 105 7.307 2.970 -12.042 1.00 0.82 C ATOM 1651 O PHE A 105 8.105 2.369 -12.766 1.00 1.09 O ATOM 1652 CB PHE A 105 8.589 3.329 -9.908 1.00 0.89 C ATOM 1653 CG PHE A 105 8.585 3.328 -8.397 1.00 0.87 C ATOM 1654 CD1 PHE A 105 7.933 4.356 -7.692 1.00 2.08 C ATOM 1655 CD2 PHE A 105 9.270 2.321 -7.693 1.00 1.84 C ATOM 1656 CE1 PHE A 105 8.045 4.429 -6.295 1.00 2.16 C ATOM 1657 CE2 PHE A 105 9.367 2.384 -6.297 1.00 1.80 C ATOM 1658 CZ PHE A 105 8.783 3.455 -5.601 1.00 0.97 C ATOM 0 H PHE A 105 8.046 0.827 -10.228 1.00 0.83 H new ATOM 0 HA PHE A 105 6.457 3.290 -10.116 1.00 0.81 H new ATOM 0 HB2 PHE A 105 9.444 2.752 -10.261 1.00 0.89 H new ATOM 0 HB3 PHE A 105 8.727 4.351 -10.261 1.00 0.89 H new ATOM 0 HD1 PHE A 105 7.346 5.089 -8.226 1.00 2.08 H new ATOM 0 HD2 PHE A 105 9.721 1.499 -8.229 1.00 1.84 H new ATOM 0 HE1 PHE A 105 7.565 5.232 -5.755 1.00 2.16 H new ATOM 0 HE2 PHE A 105 9.891 1.609 -5.756 1.00 1.80 H new ATOM 0 HZ PHE A 105 8.901 3.530 -4.530 1.00 0.97 H new ATOM 1668 N ALA A 106 6.402 3.841 -12.500 1.00 0.67 N ATOM 1669 CA ALA A 106 6.225 4.279 -13.890 1.00 0.68 C ATOM 1670 C ALA A 106 6.073 3.141 -14.930 1.00 1.62 C ATOM 1671 O ALA A 106 6.214 3.384 -16.123 1.00 2.51 O ATOM 1672 CB ALA A 106 7.348 5.278 -14.227 1.00 1.66 C ATOM 0 H ALA A 106 5.732 4.287 -11.873 1.00 0.67 H new ATOM 0 HA ALA A 106 5.257 4.774 -13.963 1.00 0.68 H new ATOM 0 HB1 ALA A 106 7.236 5.617 -15.257 1.00 1.66 H new ATOM 0 HB2 ALA A 106 7.288 6.134 -13.554 1.00 1.66 H new ATOM 0 HB3 ALA A 106 8.316 4.791 -14.109 1.00 1.66 H new ATOM 1678 N GLY A 107 5.806 1.907 -14.483 1.00 2.69 N ATOM 1679 CA GLY A 107 5.655 0.706 -15.319 1.00 4.00 C ATOM 1680 C GLY A 107 6.934 -0.111 -15.551 1.00 3.55 C ATOM 1681 O GLY A 107 6.837 -1.198 -16.112 1.00 4.95 O ATOM 0 H GLY A 107 5.684 1.709 -13.490 1.00 2.69 H new ATOM 0 HA2 GLY A 107 4.910 0.057 -14.858 1.00 4.00 H new ATOM 0 HA3 GLY A 107 5.259 1.008 -16.288 1.00 4.00 H new ATOM 1685 N GLY A 108 8.113 0.374 -15.128 1.00 2.14 N ATOM 1686 CA GLY A 108 9.412 -0.258 -15.435 1.00 1.81 C ATOM 1687 C GLY A 108 10.395 -0.400 -14.269 1.00 1.59 C ATOM 1688 O GLY A 108 11.101 -1.400 -14.175 1.00 2.10 O ATOM 0 H GLY A 108 8.195 1.218 -14.561 1.00 2.14 H new ATOM 0 HA2 GLY A 108 9.221 -1.251 -15.843 1.00 1.81 H new ATOM 0 HA3 GLY A 108 9.896 0.322 -16.221 1.00 1.81 H new ATOM 1692 N LYS A 109 10.479 0.579 -13.359 1.00 1.12 N ATOM 1693 CA LYS A 109 11.374 0.479 -12.198 1.00 1.06 C ATOM 1694 C LYS A 109 10.695 -0.265 -11.051 1.00 1.14 C ATOM 1695 O LYS A 109 9.806 0.274 -10.404 1.00 1.58 O ATOM 1696 CB LYS A 109 11.886 1.865 -11.773 1.00 1.08 C ATOM 1697 CG LYS A 109 13.056 2.249 -12.680 1.00 1.23 C ATOM 1698 CD LYS A 109 13.563 3.684 -12.461 1.00 1.65 C ATOM 1699 CE LYS A 109 14.426 3.790 -11.194 1.00 3.26 C ATOM 1700 NZ LYS A 109 15.180 5.065 -11.143 1.00 4.18 N ATOM 0 H LYS A 109 9.942 1.445 -13.403 1.00 1.12 H new ATOM 0 HA LYS A 109 12.248 -0.105 -12.486 1.00 1.06 H new ATOM 0 HB2 LYS A 109 11.088 2.604 -11.851 1.00 1.08 H new ATOM 0 HB3 LYS A 109 12.204 1.848 -10.731 1.00 1.08 H new ATOM 0 HG2 LYS A 109 13.878 1.553 -12.512 1.00 1.23 H new ATOM 0 HG3 LYS A 109 12.750 2.136 -13.720 1.00 1.23 H new ATOM 0 HD2 LYS A 109 14.145 4.001 -13.326 1.00 1.65 H new ATOM 0 HD3 LYS A 109 12.714 4.363 -12.382 1.00 1.65 H new ATOM 0 HE2 LYS A 109 13.789 3.710 -10.313 1.00 3.26 H new ATOM 0 HE3 LYS A 109 15.124 2.954 -11.160 1.00 3.26 H new ATOM 0 HZ1 LYS A 109 15.850 5.041 -10.348 1.00 4.18 H new ATOM 0 HZ2 LYS A 109 15.703 5.195 -12.032 1.00 4.18 H new ATOM 0 HZ3 LYS A 109 14.517 5.856 -11.013 1.00 4.18 H new ATOM 1714 N VAL A 110 11.140 -1.492 -10.807 1.00 0.86 N ATOM 1715 CA VAL A 110 10.637 -2.348 -9.719 1.00 0.84 C ATOM 1716 C VAL A 110 11.585 -2.310 -8.517 1.00 0.87 C ATOM 1717 O VAL A 110 12.794 -2.450 -8.703 1.00 1.00 O ATOM 1718 CB VAL A 110 10.417 -3.813 -10.173 1.00 0.90 C ATOM 1719 CG1 VAL A 110 9.785 -4.668 -9.062 1.00 2.04 C ATOM 1720 CG2 VAL A 110 9.525 -3.859 -11.426 1.00 1.56 C ATOM 0 H VAL A 110 11.872 -1.934 -11.363 1.00 0.86 H new ATOM 0 HA VAL A 110 9.667 -1.946 -9.427 1.00 0.84 H new ATOM 0 HB VAL A 110 11.398 -4.228 -10.405 1.00 0.90 H new ATOM 0 HG11 VAL A 110 9.648 -5.688 -9.421 1.00 2.04 H new ATOM 0 HG12 VAL A 110 10.440 -4.675 -8.191 1.00 2.04 H new ATOM 0 HG13 VAL A 110 8.818 -4.248 -8.785 1.00 2.04 H new ATOM 0 HG21 VAL A 110 9.380 -4.895 -11.732 1.00 1.56 H new ATOM 0 HG22 VAL A 110 8.558 -3.409 -11.201 1.00 1.56 H new ATOM 0 HG23 VAL A 110 10.004 -3.306 -12.234 1.00 1.56 H new ATOM 1730 N LEU A 111 11.044 -2.129 -7.304 1.00 0.84 N ATOM 1731 CA LEU A 111 11.798 -2.230 -6.048 1.00 0.86 C ATOM 1732 C LEU A 111 11.038 -3.042 -4.988 1.00 0.86 C ATOM 1733 O LEU A 111 9.904 -2.735 -4.634 1.00 1.09 O ATOM 1734 CB LEU A 111 12.136 -0.838 -5.475 1.00 1.02 C ATOM 1735 CG LEU A 111 13.250 -0.069 -6.217 1.00 1.49 C ATOM 1736 CD1 LEU A 111 12.717 0.831 -7.344 1.00 2.95 C ATOM 1737 CD2 LEU A 111 14.013 0.817 -5.220 1.00 2.19 C ATOM 0 H LEU A 111 10.058 -1.906 -7.167 1.00 0.84 H new ATOM 0 HA LEU A 111 12.725 -2.750 -6.290 1.00 0.86 H new ATOM 0 HB2 LEU A 111 11.231 -0.231 -5.484 1.00 1.02 H new ATOM 0 HB3 LEU A 111 12.431 -0.955 -4.432 1.00 1.02 H new ATOM 0 HG LEU A 111 13.898 -0.821 -6.666 1.00 1.49 H new ATOM 0 HD11 LEU A 111 13.550 1.343 -7.825 1.00 2.95 H new ATOM 0 HD12 LEU A 111 12.192 0.221 -8.079 1.00 2.95 H new ATOM 0 HD13 LEU A 111 12.030 1.568 -6.927 1.00 2.95 H new ATOM 0 HD21 LEU A 111 14.800 1.360 -5.744 1.00 2.19 H new ATOM 0 HD22 LEU A 111 13.324 1.527 -4.763 1.00 2.19 H new ATOM 0 HD23 LEU A 111 14.457 0.193 -4.445 1.00 2.19 H new ATOM 1749 N LYS A 112 11.708 -4.051 -4.428 1.00 0.84 N ATOM 1750 CA LYS A 112 11.197 -4.941 -3.392 1.00 0.89 C ATOM 1751 C LYS A 112 11.240 -4.344 -1.967 1.00 0.99 C ATOM 1752 O LYS A 112 12.224 -3.721 -1.578 1.00 1.34 O ATOM 1753 CB LYS A 112 12.045 -6.213 -3.508 1.00 1.32 C ATOM 1754 CG LYS A 112 11.530 -7.316 -2.594 1.00 1.68 C ATOM 1755 CD LYS A 112 12.208 -8.649 -2.915 1.00 1.99 C ATOM 1756 CE LYS A 112 11.361 -9.668 -2.175 1.00 2.49 C ATOM 1757 NZ LYS A 112 11.882 -11.053 -2.246 1.00 2.68 N ATOM 0 H LYS A 112 12.665 -4.277 -4.699 1.00 0.84 H new ATOM 0 HA LYS A 112 10.135 -5.131 -3.547 1.00 0.89 H new ATOM 0 HB2 LYS A 112 12.038 -6.563 -4.540 1.00 1.32 H new ATOM 0 HB3 LYS A 112 13.081 -5.985 -3.256 1.00 1.32 H new ATOM 0 HG2 LYS A 112 11.717 -7.049 -1.554 1.00 1.68 H new ATOM 0 HG3 LYS A 112 10.451 -7.415 -2.709 1.00 1.68 H new ATOM 0 HD2 LYS A 112 12.223 -8.843 -3.987 1.00 1.99 H new ATOM 0 HD3 LYS A 112 13.243 -8.665 -2.574 1.00 1.99 H new ATOM 0 HE2 LYS A 112 11.287 -9.372 -1.129 1.00 2.49 H new ATOM 0 HE3 LYS A 112 10.351 -9.650 -2.583 1.00 2.49 H new ATOM 0 HZ1 LYS A 112 11.141 -11.718 -1.947 1.00 2.68 H new ATOM 0 HZ2 LYS A 112 12.166 -11.267 -3.223 1.00 2.68 H new ATOM 0 HZ3 LYS A 112 12.705 -11.147 -1.617 1.00 2.68 H new ATOM 1771 N VAL A 113 10.211 -4.617 -1.161 1.00 0.88 N ATOM 1772 CA VAL A 113 10.088 -4.335 0.287 1.00 1.09 C ATOM 1773 C VAL A 113 10.196 -5.645 1.087 1.00 0.85 C ATOM 1774 O VAL A 113 9.989 -6.723 0.537 1.00 1.14 O ATOM 1775 CB VAL A 113 8.717 -3.688 0.637 1.00 1.84 C ATOM 1776 CG1 VAL A 113 8.770 -2.855 1.933 1.00 2.58 C ATOM 1777 CG2 VAL A 113 8.182 -2.753 -0.448 1.00 2.37 C ATOM 0 H VAL A 113 9.375 -5.076 -1.523 1.00 0.88 H new ATOM 0 HA VAL A 113 10.891 -3.644 0.544 1.00 1.09 H new ATOM 0 HB VAL A 113 8.056 -4.548 0.747 1.00 1.84 H new ATOM 0 HG11 VAL A 113 7.787 -2.426 2.130 1.00 2.58 H new ATOM 0 HG12 VAL A 113 9.060 -3.496 2.766 1.00 2.58 H new ATOM 0 HG13 VAL A 113 9.500 -2.053 1.821 1.00 2.58 H new ATOM 0 HG21 VAL A 113 7.224 -2.340 -0.133 1.00 2.37 H new ATOM 0 HG22 VAL A 113 8.891 -1.941 -0.611 1.00 2.37 H new ATOM 0 HG23 VAL A 113 8.049 -3.310 -1.375 1.00 2.37 H new ATOM 1787 N VAL A 114 10.430 -5.543 2.400 1.00 0.90 N ATOM 1788 CA VAL A 114 10.089 -6.576 3.392 1.00 0.87 C ATOM 1789 C VAL A 114 9.444 -5.850 4.578 1.00 0.87 C ATOM 1790 O VAL A 114 9.949 -4.813 5.008 1.00 1.00 O ATOM 1791 CB VAL A 114 11.308 -7.410 3.851 1.00 1.01 C ATOM 1792 CG1 VAL A 114 10.891 -8.481 4.876 1.00 1.68 C ATOM 1793 CG2 VAL A 114 11.996 -8.118 2.668 1.00 1.69 C ATOM 0 H VAL A 114 10.872 -4.722 2.815 1.00 0.90 H new ATOM 0 HA VAL A 114 9.409 -7.299 2.941 1.00 0.87 H new ATOM 0 HB VAL A 114 12.006 -6.708 4.306 1.00 1.01 H new ATOM 0 HG11 VAL A 114 11.767 -9.053 5.182 1.00 1.68 H new ATOM 0 HG12 VAL A 114 10.450 -7.998 5.748 1.00 1.68 H new ATOM 0 HG13 VAL A 114 10.160 -9.151 4.425 1.00 1.68 H new ATOM 0 HG21 VAL A 114 12.847 -8.693 3.033 1.00 1.69 H new ATOM 0 HG22 VAL A 114 11.287 -8.788 2.183 1.00 1.69 H new ATOM 0 HG23 VAL A 114 12.342 -7.374 1.950 1.00 1.69 H new ATOM 1803 N LEU A 115 8.308 -6.356 5.064 1.00 0.82 N ATOM 1804 CA LEU A 115 7.428 -5.669 6.009 1.00 0.84 C ATOM 1805 C LEU A 115 6.708 -6.677 6.933 1.00 0.77 C ATOM 1806 O LEU A 115 6.376 -7.778 6.470 1.00 0.75 O ATOM 1807 CB LEU A 115 6.425 -4.742 5.291 1.00 1.00 C ATOM 1808 CG LEU A 115 5.541 -5.392 4.207 1.00 1.47 C ATOM 1809 CD1 LEU A 115 4.246 -4.592 4.028 1.00 2.30 C ATOM 1810 CD2 LEU A 115 6.239 -5.411 2.849 1.00 2.06 C ATOM 0 H LEU A 115 7.967 -7.281 4.803 1.00 0.82 H new ATOM 0 HA LEU A 115 8.055 -5.034 6.635 1.00 0.84 H new ATOM 0 HB2 LEU A 115 5.772 -4.298 6.043 1.00 1.00 H new ATOM 0 HB3 LEU A 115 6.983 -3.926 4.832 1.00 1.00 H new ATOM 0 HG LEU A 115 5.338 -6.410 4.539 1.00 1.47 H new ATOM 0 HD11 LEU A 115 3.631 -5.062 3.260 1.00 2.30 H new ATOM 0 HD12 LEU A 115 3.698 -4.572 4.970 1.00 2.30 H new ATOM 0 HD13 LEU A 115 4.487 -3.573 3.727 1.00 2.30 H new ATOM 0 HD21 LEU A 115 5.586 -5.876 2.111 1.00 2.06 H new ATOM 0 HD22 LEU A 115 6.465 -4.390 2.542 1.00 2.06 H new ATOM 0 HD23 LEU A 115 7.165 -5.980 2.924 1.00 2.06 H new ATOM 1822 N PRO A 116 6.451 -6.320 8.206 1.00 0.82 N ATOM 1823 CA PRO A 116 5.715 -7.156 9.143 1.00 0.84 C ATOM 1824 C PRO A 116 4.210 -7.174 8.856 1.00 0.76 C ATOM 1825 O PRO A 116 3.649 -6.277 8.215 1.00 0.75 O ATOM 1826 CB PRO A 116 6.009 -6.571 10.528 1.00 1.00 C ATOM 1827 CG PRO A 116 6.213 -5.086 10.231 1.00 1.02 C ATOM 1828 CD PRO A 116 6.928 -5.124 8.883 1.00 0.94 C ATOM 0 HA PRO A 116 6.029 -8.197 9.063 1.00 0.84 H new ATOM 0 HB2 PRO A 116 5.183 -6.735 11.220 1.00 1.00 H new ATOM 0 HB3 PRO A 116 6.895 -7.019 10.977 1.00 1.00 H new ATOM 0 HG2 PRO A 116 5.267 -4.548 10.175 1.00 1.02 H new ATOM 0 HG3 PRO A 116 6.814 -4.596 10.997 1.00 1.02 H new ATOM 0 HD2 PRO A 116 6.706 -4.231 8.299 1.00 0.94 H new ATOM 0 HD3 PRO A 116 8.009 -5.157 9.016 1.00 0.94 H new ATOM 1836 N VAL A 117 3.548 -8.189 9.412 1.00 0.81 N ATOM 1837 CA VAL A 117 2.085 -8.257 9.551 1.00 0.82 C ATOM 1838 C VAL A 117 1.666 -7.764 10.942 1.00 0.94 C ATOM 1839 O VAL A 117 2.157 -8.258 11.957 1.00 1.03 O ATOM 1840 CB VAL A 117 1.545 -9.681 9.316 1.00 0.90 C ATOM 1841 CG1 VAL A 117 0.010 -9.717 9.477 1.00 1.04 C ATOM 1842 CG2 VAL A 117 1.892 -10.191 7.906 1.00 0.99 C ATOM 0 H VAL A 117 4.022 -9.010 9.789 1.00 0.81 H new ATOM 0 HA VAL A 117 1.655 -7.611 8.786 1.00 0.82 H new ATOM 0 HB VAL A 117 2.017 -10.323 10.060 1.00 0.90 H new ATOM 0 HG11 VAL A 117 -0.350 -10.732 9.307 1.00 1.04 H new ATOM 0 HG12 VAL A 117 -0.258 -9.401 10.485 1.00 1.04 H new ATOM 0 HG13 VAL A 117 -0.448 -9.043 8.753 1.00 1.04 H new ATOM 0 HG21 VAL A 117 1.496 -11.198 7.776 1.00 0.99 H new ATOM 0 HG22 VAL A 117 1.452 -9.528 7.161 1.00 0.99 H new ATOM 0 HG23 VAL A 117 2.975 -10.208 7.782 1.00 0.99 H new ATOM 1852 N GLU A 118 0.714 -6.834 10.949 1.00 1.10 N ATOM 1853 CA GLU A 118 0.197 -6.073 12.089 1.00 1.33 C ATOM 1854 C GLU A 118 -1.326 -5.877 11.915 1.00 1.57 C ATOM 1855 O GLU A 118 -1.884 -6.311 10.913 1.00 1.87 O ATOM 1856 CB GLU A 118 0.877 -4.696 12.080 1.00 1.65 C ATOM 1857 CG GLU A 118 2.377 -4.681 12.404 1.00 1.88 C ATOM 1858 CD GLU A 118 2.580 -4.520 13.905 1.00 2.26 C ATOM 1859 OE1 GLU A 118 2.373 -5.510 14.633 1.00 3.05 O ATOM 1860 OE2 GLU A 118 2.858 -3.367 14.314 1.00 2.98 O ATOM 0 H GLU A 118 0.243 -6.569 10.084 1.00 1.10 H new ATOM 0 HA GLU A 118 0.395 -6.598 13.023 1.00 1.33 H new ATOM 0 HB2 GLU A 118 0.734 -4.249 11.096 1.00 1.65 H new ATOM 0 HB3 GLU A 118 0.365 -4.056 12.798 1.00 1.65 H new ATOM 0 HG2 GLU A 118 2.841 -5.606 12.062 1.00 1.88 H new ATOM 0 HG3 GLU A 118 2.865 -3.864 11.872 1.00 1.88 H new