USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=16 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 HD1:sc= -1.59 K(o=-1.9,f=-5.6!) USER MOD Set 1.2: A 48 THR OG1 : rot 161:sc= 0.0702 USER MOD Set 1.3: A 83 HIS : no HD1:sc= -0.429 X(o=-1.9,f=-1.8) USER MOD Single : A 11 SER OG : rot -5:sc= 1.13 USER MOD Single : A 15 ASN : amide:sc=-0.00754 K(o=-0.0075,f=-0.79) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 74:sc= 0.431 USER MOD Single : A 24 ASN : amide:sc= 0.412 K(o=0.41,f=-4.5!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 0.566 (180deg=0.205) USER MOD Single : A 57 LYS NZ :NH3+ 142:sc= 0.15 (180deg=-0.912!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -170:sc= 0 (180deg=-0.187) USER MOD Single : A 72 LYS NZ :NH3+ 163:sc= 0.387 (180deg=-0.422!) USER MOD Single : A 78 LYS NZ :NH3+ -120:sc= 0.756 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -173:sc= -0.356 (180deg=-0.511) USER MOD Single : A 90 LYS NZ :NH3+ 150:sc= 1.18 (180deg=0.242) USER MOD Single : A 94 LYS NZ :NH3+ -153:sc= 1.1 (180deg=-0.0755) USER MOD Single : A 109 LYS NZ :NH3+ -123:sc= 1.11 (180deg=-0.391) USER MOD Single : A 112 LYS NZ :NH3+ 155:sc= 1.32 (180deg=-0.438!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.695 1.058 6.347 1.00 1.28 N ATOM 56 CA GLU A 5 8.869 1.204 7.541 1.00 1.15 C ATOM 57 C GLU A 5 7.414 0.986 7.091 1.00 0.95 C ATOM 58 O GLU A 5 6.744 1.897 6.591 1.00 1.32 O ATOM 59 CB GLU A 5 9.035 2.624 8.126 1.00 2.12 C ATOM 60 CG GLU A 5 10.446 3.060 8.551 1.00 2.84 C ATOM 61 CD GLU A 5 10.608 4.580 8.402 1.00 3.73 C ATOM 62 OE1 GLU A 5 9.728 5.322 8.900 1.00 4.79 O ATOM 63 OE2 GLU A 5 11.575 5.019 7.734 1.00 4.23 O ATOM 0 HA GLU A 5 9.156 0.490 8.313 1.00 1.15 H new ATOM 0 HB2 GLU A 5 8.672 3.337 7.385 1.00 2.12 H new ATOM 0 HB3 GLU A 5 8.382 2.707 8.995 1.00 2.12 H new ATOM 0 HG2 GLU A 5 10.627 2.769 9.586 1.00 2.84 H new ATOM 0 HG3 GLU A 5 11.190 2.548 7.941 1.00 2.84 H new ATOM 70 N GLY A 6 6.979 -0.275 7.147 1.00 1.10 N ATOM 71 CA GLY A 6 5.644 -0.733 6.767 1.00 1.04 C ATOM 72 C GLY A 6 5.264 -2.075 7.386 1.00 0.96 C ATOM 73 O GLY A 6 6.042 -2.665 8.131 1.00 1.24 O ATOM 0 H GLY A 6 7.575 -1.036 7.473 1.00 1.10 H new ATOM 0 HA2 GLY A 6 4.912 0.017 7.066 1.00 1.04 H new ATOM 0 HA3 GLY A 6 5.591 -0.814 5.681 1.00 1.04 H new ATOM 77 N TRP A 7 4.070 -2.560 7.043 1.00 0.94 N ATOM 78 CA TRP A 7 3.487 -3.821 7.488 1.00 0.91 C ATOM 79 C TRP A 7 2.423 -4.355 6.505 1.00 0.96 C ATOM 80 O TRP A 7 1.807 -3.596 5.752 1.00 0.95 O ATOM 81 CB TRP A 7 2.897 -3.637 8.891 1.00 1.00 C ATOM 82 CG TRP A 7 1.700 -2.737 8.991 1.00 1.12 C ATOM 83 CD1 TRP A 7 0.412 -3.142 9.022 1.00 1.38 C ATOM 84 CD2 TRP A 7 1.658 -1.277 9.069 1.00 1.42 C ATOM 85 NE1 TRP A 7 -0.423 -2.046 9.116 1.00 1.72 N ATOM 86 CE2 TRP A 7 0.292 -0.867 9.114 1.00 1.78 C ATOM 87 CE3 TRP A 7 2.632 -0.256 9.095 1.00 1.69 C ATOM 88 CZ2 TRP A 7 -0.088 0.484 9.144 1.00 2.29 C ATOM 89 CZ3 TRP A 7 2.268 1.102 9.128 1.00 2.21 C ATOM 90 CH2 TRP A 7 0.912 1.474 9.151 1.00 2.47 C ATOM 0 H TRP A 7 3.451 -2.052 6.411 1.00 0.94 H new ATOM 0 HA TRP A 7 4.278 -4.570 7.519 1.00 0.91 H new ATOM 0 HB2 TRP A 7 2.622 -4.618 9.279 1.00 1.00 H new ATOM 0 HB3 TRP A 7 3.677 -3.244 9.543 1.00 1.00 H new ATOM 0 HD1 TRP A 7 0.084 -4.170 8.980 1.00 1.38 H new ATOM 0 HE1 TRP A 7 -1.440 -2.102 9.179 1.00 1.72 H new ATOM 0 HE3 TRP A 7 3.678 -0.523 9.089 1.00 1.69 H new ATOM 0 HZ2 TRP A 7 -1.132 0.759 9.161 1.00 2.29 H new ATOM 0 HZ3 TRP A 7 3.034 1.863 9.136 1.00 2.21 H new ATOM 0 HH2 TRP A 7 0.638 2.519 9.174 1.00 2.47 H new ATOM 101 N VAL A 8 2.173 -5.663 6.559 1.00 1.11 N ATOM 102 CA VAL A 8 1.058 -6.346 5.877 1.00 1.29 C ATOM 103 C VAL A 8 -0.047 -6.605 6.897 1.00 1.44 C ATOM 104 O VAL A 8 0.231 -7.067 8.007 1.00 1.65 O ATOM 105 CB VAL A 8 1.526 -7.667 5.221 1.00 1.40 C ATOM 106 CG1 VAL A 8 0.378 -8.563 4.727 1.00 1.73 C ATOM 107 CG2 VAL A 8 2.424 -7.345 4.013 1.00 1.26 C ATOM 0 H VAL A 8 2.757 -6.304 7.095 1.00 1.11 H new ATOM 0 HA VAL A 8 0.679 -5.711 5.076 1.00 1.29 H new ATOM 0 HB VAL A 8 2.057 -8.215 5.999 1.00 1.40 H new ATOM 0 HG11 VAL A 8 0.789 -9.468 4.280 1.00 1.73 H new ATOM 0 HG12 VAL A 8 -0.262 -8.831 5.568 1.00 1.73 H new ATOM 0 HG13 VAL A 8 -0.209 -8.025 3.982 1.00 1.73 H new ATOM 0 HG21 VAL A 8 2.756 -8.274 3.548 1.00 1.26 H new ATOM 0 HG22 VAL A 8 1.861 -6.757 3.288 1.00 1.26 H new ATOM 0 HG23 VAL A 8 3.292 -6.776 4.346 1.00 1.26 H new ATOM 117 N ARG A 9 -1.291 -6.278 6.529 1.00 1.49 N ATOM 118 CA ARG A 9 -2.458 -6.439 7.401 1.00 1.69 C ATOM 119 C ARG A 9 -2.791 -7.909 7.666 1.00 1.90 C ATOM 120 O ARG A 9 -2.473 -8.802 6.880 1.00 3.48 O ATOM 121 CB ARG A 9 -3.691 -5.730 6.816 1.00 1.88 C ATOM 122 CG ARG A 9 -4.531 -5.098 7.933 1.00 1.79 C ATOM 123 CD ARG A 9 -5.958 -4.742 7.510 1.00 2.54 C ATOM 124 NE ARG A 9 -6.611 -4.030 8.613 1.00 2.70 N ATOM 125 CZ ARG A 9 -7.888 -3.957 8.937 1.00 3.46 C ATOM 126 NH1 ARG A 9 -8.825 -4.574 8.242 1.00 4.31 N ATOM 127 NH2 ARG A 9 -8.226 -3.250 9.990 1.00 3.92 N ATOM 0 H ARG A 9 -1.517 -5.892 5.612 1.00 1.49 H new ATOM 0 HA ARG A 9 -2.193 -5.977 8.352 1.00 1.69 H new ATOM 0 HB2 ARG A 9 -3.375 -4.961 6.112 1.00 1.88 H new ATOM 0 HB3 ARG A 9 -4.297 -6.444 6.258 1.00 1.88 H new ATOM 0 HG2 ARG A 9 -4.574 -5.787 8.776 1.00 1.79 H new ATOM 0 HG3 ARG A 9 -4.031 -4.195 8.284 1.00 1.79 H new ATOM 0 HD2 ARG A 9 -5.943 -4.120 6.615 1.00 2.54 H new ATOM 0 HD3 ARG A 9 -6.515 -5.645 7.261 1.00 2.54 H new ATOM 0 HE ARG A 9 -5.981 -3.511 9.224 1.00 2.70 H new ATOM 0 HH11 ARG A 9 -8.571 -5.130 7.425 1.00 4.31 H new ATOM 0 HH12 ARG A 9 -9.803 -4.495 8.522 1.00 4.31 H new ATOM 0 HH21 ARG A 9 -7.508 -2.773 10.536 1.00 3.92 H new ATOM 0 HH22 ARG A 9 -9.206 -3.177 10.262 1.00 3.92 H new ATOM 141 N PHE A 10 -3.576 -8.144 8.712 1.00 1.05 N ATOM 142 CA PHE A 10 -4.160 -9.439 9.029 1.00 1.01 C ATOM 143 C PHE A 10 -5.590 -9.427 8.511 1.00 0.83 C ATOM 144 O PHE A 10 -6.352 -8.500 8.790 1.00 1.04 O ATOM 145 CB PHE A 10 -4.131 -9.689 10.541 1.00 1.29 C ATOM 146 CG PHE A 10 -4.766 -11.002 10.960 1.00 1.39 C ATOM 147 CD1 PHE A 10 -6.154 -11.075 11.180 1.00 1.96 C ATOM 148 CD2 PHE A 10 -3.970 -12.153 11.115 1.00 2.26 C ATOM 149 CE1 PHE A 10 -6.752 -12.301 11.524 1.00 2.14 C ATOM 150 CE2 PHE A 10 -4.563 -13.371 11.490 1.00 2.32 C ATOM 151 CZ PHE A 10 -5.957 -13.451 11.672 1.00 1.72 C ATOM 0 H PHE A 10 -3.830 -7.417 9.381 1.00 1.05 H new ATOM 0 HA PHE A 10 -3.591 -10.242 8.561 1.00 1.01 H new ATOM 0 HB2 PHE A 10 -3.096 -9.672 10.882 1.00 1.29 H new ATOM 0 HB3 PHE A 10 -4.646 -8.871 11.044 1.00 1.29 H new ATOM 0 HD1 PHE A 10 -6.762 -10.187 11.084 1.00 1.96 H new ATOM 0 HD2 PHE A 10 -2.905 -12.100 10.946 1.00 2.26 H new ATOM 0 HE1 PHE A 10 -7.820 -12.359 11.674 1.00 2.14 H new ATOM 0 HE2 PHE A 10 -3.949 -14.247 11.639 1.00 2.32 H new ATOM 0 HZ PHE A 10 -6.415 -14.396 11.925 1.00 1.72 H new ATOM 161 N SER A 11 -5.968 -10.453 7.768 1.00 0.89 N ATOM 162 CA SER A 11 -7.315 -10.724 7.255 1.00 1.07 C ATOM 163 C SER A 11 -7.314 -12.170 6.722 1.00 1.26 C ATOM 164 O SER A 11 -6.262 -12.618 6.260 1.00 1.34 O ATOM 165 CB SER A 11 -7.704 -9.731 6.143 1.00 1.42 C ATOM 166 OG SER A 11 -7.745 -8.378 6.589 1.00 2.60 O ATOM 0 H SER A 11 -5.302 -11.172 7.484 1.00 0.89 H new ATOM 0 HA SER A 11 -8.052 -10.603 8.049 1.00 1.07 H new ATOM 0 HB2 SER A 11 -6.990 -9.815 5.323 1.00 1.42 H new ATOM 0 HB3 SER A 11 -8.681 -10.006 5.745 1.00 1.42 H new ATOM 0 HG SER A 11 -7.588 -8.347 7.556 1.00 2.60 H new ATOM 172 N PRO A 12 -8.428 -12.922 6.797 1.00 1.47 N ATOM 173 CA PRO A 12 -8.503 -14.291 6.274 1.00 1.66 C ATOM 174 C PRO A 12 -8.667 -14.348 4.749 1.00 1.60 C ATOM 175 O PRO A 12 -8.357 -15.360 4.126 1.00 1.79 O ATOM 176 CB PRO A 12 -9.733 -14.887 6.957 1.00 1.94 C ATOM 177 CG PRO A 12 -10.655 -13.687 7.176 1.00 1.87 C ATOM 178 CD PRO A 12 -9.662 -12.566 7.483 1.00 1.58 C ATOM 0 HA PRO A 12 -7.580 -14.833 6.478 1.00 1.66 H new ATOM 0 HB2 PRO A 12 -10.207 -15.645 6.334 1.00 1.94 H new ATOM 0 HB3 PRO A 12 -9.472 -15.367 7.900 1.00 1.94 H new ATOM 0 HG2 PRO A 12 -11.255 -13.468 6.293 1.00 1.87 H new ATOM 0 HG3 PRO A 12 -11.349 -13.852 8.000 1.00 1.87 H new ATOM 0 HD2 PRO A 12 -10.039 -11.605 7.134 1.00 1.58 H new ATOM 0 HD3 PRO A 12 -9.498 -12.473 8.557 1.00 1.58 H new ATOM 186 N GLY A 13 -9.182 -13.263 4.171 1.00 1.46 N ATOM 187 CA GLY A 13 -9.688 -13.165 2.805 1.00 1.56 C ATOM 188 C GLY A 13 -11.098 -12.543 2.799 1.00 1.62 C ATOM 189 O GLY A 13 -11.653 -12.303 3.872 1.00 1.58 O ATOM 0 H GLY A 13 -9.261 -12.379 4.674 1.00 1.46 H new ATOM 0 HA2 GLY A 13 -9.013 -12.557 2.203 1.00 1.56 H new ATOM 0 HA3 GLY A 13 -9.718 -14.155 2.349 1.00 1.56 H new ATOM 193 N PRO A 14 -11.692 -12.246 1.625 1.00 1.76 N ATOM 194 CA PRO A 14 -11.100 -12.370 0.293 1.00 1.87 C ATOM 195 C PRO A 14 -10.006 -11.321 0.038 1.00 1.61 C ATOM 196 O PRO A 14 -9.290 -11.431 -0.955 1.00 1.57 O ATOM 197 CB PRO A 14 -12.276 -12.184 -0.672 1.00 2.19 C ATOM 198 CG PRO A 14 -13.187 -11.212 0.077 1.00 2.15 C ATOM 199 CD PRO A 14 -13.019 -11.652 1.531 1.00 1.92 C ATOM 0 HA PRO A 14 -10.602 -13.332 0.169 1.00 1.87 H new ATOM 0 HB2 PRO A 14 -11.952 -11.776 -1.629 1.00 2.19 H new ATOM 0 HB3 PRO A 14 -12.779 -13.128 -0.882 1.00 2.19 H new ATOM 0 HG2 PRO A 14 -12.883 -10.176 -0.071 1.00 2.15 H new ATOM 0 HG3 PRO A 14 -14.223 -11.291 -0.253 1.00 2.15 H new ATOM 0 HD2 PRO A 14 -13.114 -10.803 2.208 1.00 1.92 H new ATOM 0 HD3 PRO A 14 -13.788 -12.371 1.811 1.00 1.92 H new ATOM 207 N ASN A 15 -9.849 -10.333 0.932 1.00 1.43 N ATOM 208 CA ASN A 15 -8.777 -9.350 0.884 1.00 1.09 C ATOM 209 C ASN A 15 -8.131 -9.033 2.254 1.00 0.81 C ATOM 210 O ASN A 15 -8.678 -9.288 3.324 1.00 0.96 O ATOM 211 CB ASN A 15 -9.250 -8.088 0.143 1.00 1.32 C ATOM 212 CG ASN A 15 -10.368 -7.294 0.805 1.00 1.75 C ATOM 213 OD1 ASN A 15 -10.800 -7.551 1.918 1.00 2.10 O ATOM 214 ND2 ASN A 15 -10.867 -6.286 0.117 1.00 2.35 N ATOM 0 H ASN A 15 -10.481 -10.200 1.721 1.00 1.43 H new ATOM 0 HA ASN A 15 -7.964 -9.804 0.318 1.00 1.09 H new ATOM 0 HB2 ASN A 15 -8.393 -7.427 0.012 1.00 1.32 H new ATOM 0 HB3 ASN A 15 -9.582 -8.381 -0.853 1.00 1.32 H new ATOM 0 HD21 ASN A 15 -11.616 -5.719 0.514 1.00 2.35 H new ATOM 0 HD22 ASN A 15 -10.504 -6.074 -0.812 1.00 2.35 H new ATOM 221 N ALA A 16 -6.933 -8.459 2.160 1.00 0.54 N ATOM 222 CA ALA A 16 -6.032 -7.906 3.181 1.00 0.47 C ATOM 223 C ALA A 16 -5.597 -6.501 2.705 1.00 0.52 C ATOM 224 O ALA A 16 -6.108 -5.992 1.706 1.00 0.60 O ATOM 225 CB ALA A 16 -4.847 -8.873 3.350 1.00 0.44 C ATOM 0 H ALA A 16 -6.510 -8.355 1.238 1.00 0.54 H new ATOM 0 HA ALA A 16 -6.510 -7.801 4.155 1.00 0.47 H new ATOM 0 HB1 ALA A 16 -4.164 -8.483 4.104 1.00 0.44 H new ATOM 0 HB2 ALA A 16 -5.216 -9.849 3.665 1.00 0.44 H new ATOM 0 HB3 ALA A 16 -4.321 -8.973 2.401 1.00 0.44 H new ATOM 231 N ALA A 17 -4.675 -5.842 3.407 1.00 0.60 N ATOM 232 CA ALA A 17 -4.137 -4.534 3.014 1.00 0.63 C ATOM 233 C ALA A 17 -2.617 -4.486 3.229 1.00 0.68 C ATOM 234 O ALA A 17 -2.079 -5.342 3.933 1.00 1.10 O ATOM 235 CB ALA A 17 -4.845 -3.440 3.824 1.00 0.91 C ATOM 0 H ALA A 17 -4.275 -6.202 4.273 1.00 0.60 H new ATOM 0 HA ALA A 17 -4.320 -4.367 1.953 1.00 0.63 H new ATOM 0 HB1 ALA A 17 -4.452 -2.464 3.539 1.00 0.91 H new ATOM 0 HB2 ALA A 17 -5.916 -3.473 3.622 1.00 0.91 H new ATOM 0 HB3 ALA A 17 -4.671 -3.605 4.887 1.00 0.91 H new ATOM 241 N ALA A 18 -1.942 -3.476 2.674 1.00 0.50 N ATOM 242 CA ALA A 18 -0.528 -3.212 2.949 1.00 0.53 C ATOM 243 C ALA A 18 -0.212 -1.712 2.933 1.00 0.50 C ATOM 244 O ALA A 18 -0.826 -0.920 2.213 1.00 0.46 O ATOM 245 CB ALA A 18 0.369 -4.001 1.986 1.00 0.56 C ATOM 0 H ALA A 18 -2.362 -2.817 2.019 1.00 0.50 H new ATOM 0 HA ALA A 18 -0.314 -3.560 3.960 1.00 0.53 H new ATOM 0 HB1 ALA A 18 1.415 -3.790 2.208 1.00 0.56 H new ATOM 0 HB2 ALA A 18 0.181 -5.068 2.105 1.00 0.56 H new ATOM 0 HB3 ALA A 18 0.149 -3.706 0.960 1.00 0.56 H new ATOM 251 N TYR A 19 0.766 -1.345 3.761 1.00 0.70 N ATOM 252 CA TYR A 19 1.098 0.017 4.178 1.00 0.68 C ATOM 253 C TYR A 19 2.618 0.103 4.339 1.00 0.77 C ATOM 254 O TYR A 19 3.192 -0.746 5.014 1.00 1.33 O ATOM 255 CB TYR A 19 0.448 0.285 5.548 1.00 0.70 C ATOM 256 CG TYR A 19 -0.986 -0.176 5.705 1.00 0.90 C ATOM 257 CD1 TYR A 19 -1.257 -1.479 6.160 1.00 2.34 C ATOM 258 CD2 TYR A 19 -2.048 0.706 5.435 1.00 1.51 C ATOM 259 CE1 TYR A 19 -2.579 -1.892 6.392 1.00 2.62 C ATOM 260 CE2 TYR A 19 -3.378 0.302 5.675 1.00 1.57 C ATOM 261 CZ TYR A 19 -3.646 -0.996 6.162 1.00 1.53 C ATOM 262 OH TYR A 19 -4.926 -1.384 6.411 1.00 1.88 O ATOM 0 H TYR A 19 1.387 -2.035 4.185 1.00 0.70 H new ATOM 0 HA TYR A 19 0.743 0.741 3.445 1.00 0.68 H new ATOM 0 HB2 TYR A 19 1.051 -0.201 6.315 1.00 0.70 H new ATOM 0 HB3 TYR A 19 0.487 1.357 5.743 1.00 0.70 H new ATOM 0 HD1 TYR A 19 -0.442 -2.167 6.332 1.00 2.34 H new ATOM 0 HD2 TYR A 19 -1.845 1.692 5.044 1.00 1.51 H new ATOM 0 HE1 TYR A 19 -2.779 -2.893 6.746 1.00 2.62 H new ATOM 0 HE2 TYR A 19 -4.192 0.986 5.486 1.00 1.57 H new ATOM 0 HH TYR A 19 -5.538 -0.648 6.201 1.00 1.88 H new ATOM 272 N LEU A 20 3.288 1.098 3.751 1.00 1.28 N ATOM 273 CA LEU A 20 4.756 1.189 3.767 1.00 1.41 C ATOM 274 C LEU A 20 5.296 2.561 3.361 1.00 1.21 C ATOM 275 O LEU A 20 4.683 3.272 2.561 1.00 1.03 O ATOM 276 CB LEU A 20 5.416 0.050 2.944 1.00 1.66 C ATOM 277 CG LEU A 20 5.144 0.016 1.419 1.00 1.48 C ATOM 278 CD1 LEU A 20 6.204 -0.863 0.737 1.00 2.27 C ATOM 279 CD2 LEU A 20 3.752 -0.538 1.065 1.00 1.84 C ATOM 0 H LEU A 20 2.833 1.862 3.251 1.00 1.28 H new ATOM 0 HA LEU A 20 5.041 1.057 4.811 1.00 1.41 H new ATOM 0 HB2 LEU A 20 6.494 0.110 3.092 1.00 1.66 H new ATOM 0 HB3 LEU A 20 5.089 -0.901 3.365 1.00 1.66 H new ATOM 0 HG LEU A 20 5.188 1.047 1.067 1.00 1.48 H new ATOM 0 HD11 LEU A 20 6.018 -0.891 -0.337 1.00 2.27 H new ATOM 0 HD12 LEU A 20 7.195 -0.448 0.923 1.00 2.27 H new ATOM 0 HD13 LEU A 20 6.152 -1.874 1.140 1.00 2.27 H new ATOM 0 HD21 LEU A 20 3.624 -0.535 -0.017 1.00 1.84 H new ATOM 0 HD22 LEU A 20 3.660 -1.558 1.439 1.00 1.84 H new ATOM 0 HD23 LEU A 20 2.985 0.086 1.523 1.00 1.84 H new ATOM 291 N THR A 21 6.465 2.899 3.908 1.00 1.44 N ATOM 292 CA THR A 21 7.228 4.115 3.609 1.00 1.37 C ATOM 293 C THR A 21 8.007 3.957 2.311 1.00 1.37 C ATOM 294 O THR A 21 8.958 3.174 2.233 1.00 1.84 O ATOM 295 CB THR A 21 8.148 4.467 4.779 1.00 1.52 C ATOM 296 OG1 THR A 21 7.301 4.681 5.883 1.00 1.80 O ATOM 297 CG2 THR A 21 8.967 5.740 4.552 1.00 1.83 C ATOM 0 H THR A 21 6.926 2.309 4.601 1.00 1.44 H new ATOM 0 HA THR A 21 6.531 4.942 3.472 1.00 1.37 H new ATOM 0 HB THR A 21 8.865 3.658 4.918 1.00 1.52 H new ATOM 0 HG1 THR A 21 6.964 3.820 6.208 1.00 1.80 H new ATOM 0 HG21 THR A 21 9.596 5.928 5.422 1.00 1.83 H new ATOM 0 HG22 THR A 21 9.595 5.616 3.670 1.00 1.83 H new ATOM 0 HG23 THR A 21 8.294 6.584 4.402 1.00 1.83 H new ATOM 305 N LEU A 22 7.599 4.735 1.305 1.00 1.14 N ATOM 306 CA LEU A 22 8.328 4.904 0.048 1.00 1.36 C ATOM 307 C LEU A 22 9.299 6.074 0.202 1.00 1.12 C ATOM 308 O LEU A 22 8.864 7.173 0.544 1.00 1.11 O ATOM 309 CB LEU A 22 7.329 5.184 -1.095 1.00 1.83 C ATOM 310 CG LEU A 22 7.724 4.715 -2.507 1.00 2.35 C ATOM 311 CD1 LEU A 22 9.106 5.190 -2.979 1.00 2.79 C ATOM 312 CD2 LEU A 22 7.646 3.192 -2.591 1.00 2.92 C ATOM 0 H LEU A 22 6.735 5.275 1.344 1.00 1.14 H new ATOM 0 HA LEU A 22 8.884 3.998 -0.191 1.00 1.36 H new ATOM 0 HB2 LEU A 22 6.380 4.714 -0.836 1.00 1.83 H new ATOM 0 HB3 LEU A 22 7.153 6.259 -1.133 1.00 1.83 H new ATOM 0 HG LEU A 22 7.005 5.180 -3.181 1.00 2.35 H new ATOM 0 HD11 LEU A 22 9.298 4.811 -3.983 1.00 2.79 H new ATOM 0 HD12 LEU A 22 9.132 6.280 -2.991 1.00 2.79 H new ATOM 0 HD13 LEU A 22 9.871 4.817 -2.298 1.00 2.79 H new ATOM 0 HD21 LEU A 22 7.927 2.868 -3.593 1.00 2.92 H new ATOM 0 HD22 LEU A 22 8.328 2.752 -1.863 1.00 2.92 H new ATOM 0 HD23 LEU A 22 6.628 2.867 -2.377 1.00 2.92 H new ATOM 324 N GLU A 23 10.571 5.847 -0.114 1.00 1.09 N ATOM 325 CA GLU A 23 11.594 6.881 -0.260 1.00 0.98 C ATOM 326 C GLU A 23 12.086 6.886 -1.706 1.00 0.92 C ATOM 327 O GLU A 23 12.373 5.829 -2.269 1.00 1.22 O ATOM 328 CB GLU A 23 12.766 6.584 0.681 1.00 1.32 C ATOM 329 CG GLU A 23 13.772 7.741 0.822 1.00 2.77 C ATOM 330 CD GLU A 23 14.924 7.383 1.769 1.00 3.40 C ATOM 331 OE1 GLU A 23 15.357 6.210 1.820 1.00 3.77 O ATOM 332 OE2 GLU A 23 15.465 8.245 2.497 1.00 4.37 O ATOM 0 H GLU A 23 10.931 4.907 -0.281 1.00 1.09 H new ATOM 0 HA GLU A 23 11.174 7.855 -0.008 1.00 0.98 H new ATOM 0 HB2 GLU A 23 12.372 6.338 1.667 1.00 1.32 H new ATOM 0 HB3 GLU A 23 13.293 5.701 0.319 1.00 1.32 H new ATOM 0 HG2 GLU A 23 14.174 7.995 -0.159 1.00 2.77 H new ATOM 0 HG3 GLU A 23 13.257 8.627 1.195 1.00 2.77 H new ATOM 339 N ASN A 24 12.203 8.071 -2.296 1.00 0.74 N ATOM 340 CA ASN A 24 12.782 8.282 -3.615 1.00 0.70 C ATOM 341 C ASN A 24 14.238 8.759 -3.477 1.00 0.74 C ATOM 342 O ASN A 24 14.464 9.829 -2.909 1.00 0.85 O ATOM 343 CB ASN A 24 11.931 9.328 -4.333 1.00 0.69 C ATOM 344 CG ASN A 24 12.377 9.566 -5.766 1.00 0.71 C ATOM 345 OD1 ASN A 24 13.314 8.958 -6.273 1.00 1.37 O ATOM 346 ND2 ASN A 24 11.705 10.455 -6.458 1.00 0.79 N ATOM 0 H ASN A 24 11.888 8.935 -1.855 1.00 0.74 H new ATOM 0 HA ASN A 24 12.791 7.355 -4.188 1.00 0.70 H new ATOM 0 HB2 ASN A 24 10.889 9.007 -4.330 1.00 0.69 H new ATOM 0 HB3 ASN A 24 11.977 10.267 -3.782 1.00 0.69 H new ATOM 0 HD21 ASN A 24 11.960 10.646 -7.427 1.00 0.79 H new ATOM 0 HD22 ASN A 24 10.927 10.955 -6.027 1.00 0.79 H new ATOM 353 N PRO A 25 15.228 7.999 -3.976 1.00 0.92 N ATOM 354 CA PRO A 25 16.637 8.382 -3.922 1.00 1.05 C ATOM 355 C PRO A 25 17.123 9.228 -5.113 1.00 1.05 C ATOM 356 O PRO A 25 18.252 9.712 -5.061 1.00 1.16 O ATOM 357 CB PRO A 25 17.378 7.040 -3.883 1.00 1.28 C ATOM 358 CG PRO A 25 16.485 6.145 -4.746 1.00 1.32 C ATOM 359 CD PRO A 25 15.089 6.603 -4.369 1.00 1.13 C ATOM 0 HA PRO A 25 16.818 9.026 -3.062 1.00 1.05 H new ATOM 0 HB2 PRO A 25 18.386 7.121 -4.290 1.00 1.28 H new ATOM 0 HB3 PRO A 25 17.474 6.659 -2.866 1.00 1.28 H new ATOM 0 HG2 PRO A 25 16.682 6.281 -5.809 1.00 1.32 H new ATOM 0 HG3 PRO A 25 16.638 5.088 -4.526 1.00 1.32 H new ATOM 0 HD2 PRO A 25 14.402 6.499 -5.209 1.00 1.13 H new ATOM 0 HD3 PRO A 25 14.687 6.004 -3.552 1.00 1.13 H new ATOM 367 N GLY A 26 16.324 9.404 -6.175 1.00 1.00 N ATOM 368 CA GLY A 26 16.710 10.143 -7.367 1.00 1.04 C ATOM 369 C GLY A 26 16.330 11.613 -7.272 1.00 1.00 C ATOM 370 O GLY A 26 15.425 12.001 -6.541 1.00 1.41 O ATOM 0 H GLY A 26 15.377 9.027 -6.222 1.00 1.00 H new ATOM 0 HA2 GLY A 26 17.786 10.055 -7.516 1.00 1.04 H new ATOM 0 HA3 GLY A 26 16.230 9.700 -8.240 1.00 1.04 H new ATOM 374 N ASP A 27 16.996 12.410 -8.098 1.00 1.09 N ATOM 375 CA ASP A 27 16.822 13.851 -8.295 1.00 1.55 C ATOM 376 C ASP A 27 15.623 14.172 -9.215 1.00 1.53 C ATOM 377 O ASP A 27 15.329 15.322 -9.533 1.00 1.80 O ATOM 378 CB ASP A 27 18.139 14.362 -8.887 1.00 2.06 C ATOM 379 CG ASP A 27 19.211 14.525 -7.808 1.00 2.61 C ATOM 380 OD1 ASP A 27 19.859 13.516 -7.442 1.00 2.60 O ATOM 381 OD2 ASP A 27 19.363 15.639 -7.258 1.00 3.75 O ATOM 0 H ASP A 27 17.733 12.039 -8.698 1.00 1.09 H new ATOM 0 HA ASP A 27 16.596 14.344 -7.350 1.00 1.55 H new ATOM 0 HB2 ASP A 27 18.491 13.667 -9.649 1.00 2.06 H new ATOM 0 HB3 ASP A 27 17.970 15.319 -9.382 1.00 2.06 H new ATOM 386 N LEU A 28 14.918 13.116 -9.619 1.00 1.22 N ATOM 387 CA LEU A 28 13.714 13.094 -10.428 1.00 1.11 C ATOM 388 C LEU A 28 12.606 12.345 -9.668 1.00 0.93 C ATOM 389 O LEU A 28 12.923 11.480 -8.848 1.00 0.83 O ATOM 390 CB LEU A 28 14.088 12.480 -11.788 1.00 1.18 C ATOM 391 CG LEU A 28 14.510 10.992 -11.789 1.00 1.85 C ATOM 392 CD1 LEU A 28 13.319 10.031 -11.945 1.00 2.75 C ATOM 393 CD2 LEU A 28 15.485 10.735 -12.947 1.00 2.43 C ATOM 0 H LEU A 28 15.207 12.172 -9.362 1.00 1.22 H new ATOM 0 HA LEU A 28 13.311 14.089 -10.619 1.00 1.11 H new ATOM 0 HB2 LEU A 28 13.235 12.592 -12.457 1.00 1.18 H new ATOM 0 HB3 LEU A 28 14.904 13.065 -12.212 1.00 1.18 H new ATOM 0 HG LEU A 28 14.976 10.800 -10.822 1.00 1.85 H new ATOM 0 HD11 LEU A 28 13.678 9.002 -11.939 1.00 2.75 H new ATOM 0 HD12 LEU A 28 12.623 10.177 -11.119 1.00 2.75 H new ATOM 0 HD13 LEU A 28 12.811 10.232 -12.888 1.00 2.75 H new ATOM 0 HD21 LEU A 28 15.782 9.686 -12.947 1.00 2.43 H new ATOM 0 HD22 LEU A 28 14.998 10.974 -13.892 1.00 2.43 H new ATOM 0 HD23 LEU A 28 16.368 11.362 -12.825 1.00 2.43 H new ATOM 405 N PRO A 29 11.321 12.658 -9.908 1.00 0.98 N ATOM 406 CA PRO A 29 10.214 12.138 -9.117 1.00 0.90 C ATOM 407 C PRO A 29 9.883 10.689 -9.509 1.00 0.79 C ATOM 408 O PRO A 29 9.985 10.316 -10.679 1.00 0.90 O ATOM 409 CB PRO A 29 9.048 13.087 -9.390 1.00 1.05 C ATOM 410 CG PRO A 29 9.309 13.578 -10.814 1.00 1.16 C ATOM 411 CD PRO A 29 10.835 13.555 -10.945 1.00 1.15 C ATOM 0 HA PRO A 29 10.452 12.099 -8.054 1.00 0.90 H new ATOM 0 HB2 PRO A 29 8.088 12.576 -9.312 1.00 1.05 H new ATOM 0 HB3 PRO A 29 9.028 13.913 -8.679 1.00 1.05 H new ATOM 0 HG2 PRO A 29 8.836 12.930 -11.552 1.00 1.16 H new ATOM 0 HG3 PRO A 29 8.911 14.581 -10.969 1.00 1.16 H new ATOM 0 HD2 PRO A 29 11.135 13.206 -11.933 1.00 1.15 H new ATOM 0 HD3 PRO A 29 11.251 14.555 -10.820 1.00 1.15 H new ATOM 419 N LEU A 30 9.453 9.875 -8.538 1.00 0.71 N ATOM 420 CA LEU A 30 8.932 8.526 -8.783 1.00 0.62 C ATOM 421 C LEU A 30 7.414 8.510 -8.795 1.00 0.58 C ATOM 422 O LEU A 30 6.743 9.166 -8.005 1.00 0.74 O ATOM 423 CB LEU A 30 9.414 7.508 -7.741 1.00 0.65 C ATOM 424 CG LEU A 30 10.871 7.082 -7.944 1.00 0.70 C ATOM 425 CD1 LEU A 30 11.376 6.356 -6.687 1.00 1.84 C ATOM 426 CD2 LEU A 30 11.069 6.157 -9.152 1.00 1.70 C ATOM 0 H LEU A 30 9.457 10.137 -7.552 1.00 0.71 H new ATOM 0 HA LEU A 30 9.318 8.239 -9.761 1.00 0.62 H new ATOM 0 HB2 LEU A 30 9.303 7.937 -6.745 1.00 0.65 H new ATOM 0 HB3 LEU A 30 8.775 6.626 -7.782 1.00 0.65 H new ATOM 0 HG LEU A 30 11.436 7.995 -8.131 1.00 0.70 H new ATOM 0 HD11 LEU A 30 12.413 6.054 -6.833 1.00 1.84 H new ATOM 0 HD12 LEU A 30 11.311 7.025 -5.829 1.00 1.84 H new ATOM 0 HD13 LEU A 30 10.763 5.473 -6.506 1.00 1.84 H new ATOM 0 HD21 LEU A 30 12.123 5.893 -9.239 1.00 1.70 H new ATOM 0 HD22 LEU A 30 10.478 5.251 -9.017 1.00 1.70 H new ATOM 0 HD23 LEU A 30 10.747 6.669 -10.059 1.00 1.70 H new ATOM 438 N ARG A 31 6.907 7.643 -9.657 1.00 0.49 N ATOM 439 CA ARG A 31 5.476 7.490 -9.974 1.00 0.45 C ATOM 440 C ARG A 31 5.080 6.011 -9.887 1.00 0.45 C ATOM 441 O ARG A 31 5.461 5.216 -10.745 1.00 0.49 O ATOM 442 CB ARG A 31 5.229 8.071 -11.374 1.00 0.54 C ATOM 443 CG ARG A 31 3.775 8.348 -11.768 1.00 0.79 C ATOM 444 CD ARG A 31 3.140 9.580 -11.109 1.00 1.59 C ATOM 445 NE ARG A 31 3.758 10.885 -11.425 1.00 1.86 N ATOM 446 CZ ARG A 31 3.164 11.954 -11.951 1.00 2.08 C ATOM 447 NH1 ARG A 31 1.976 11.913 -12.525 1.00 2.62 N ATOM 448 NH2 ARG A 31 3.776 13.112 -11.864 1.00 2.64 N ATOM 0 H ARG A 31 7.496 6.996 -10.182 1.00 0.49 H new ATOM 0 HA ARG A 31 4.858 8.030 -9.257 1.00 0.45 H new ATOM 0 HB2 ARG A 31 5.785 9.005 -11.456 1.00 0.54 H new ATOM 0 HB3 ARG A 31 5.652 7.383 -12.105 1.00 0.54 H new ATOM 0 HG2 ARG A 31 3.726 8.469 -12.850 1.00 0.79 H new ATOM 0 HG3 ARG A 31 3.175 7.473 -11.518 1.00 0.79 H new ATOM 0 HD2 ARG A 31 2.090 9.620 -11.399 1.00 1.59 H new ATOM 0 HD3 ARG A 31 3.167 9.442 -10.028 1.00 1.59 H new ATOM 0 HE ARG A 31 4.752 10.977 -11.216 1.00 1.86 H new ATOM 0 HH11 ARG A 31 1.467 11.031 -12.581 1.00 2.62 H new ATOM 0 HH12 ARG A 31 1.567 12.763 -12.912 1.00 2.62 H new ATOM 0 HH21 ARG A 31 4.683 13.176 -11.402 1.00 2.64 H new ATOM 0 HH22 ARG A 31 3.344 13.948 -12.258 1.00 2.64 H new ATOM 462 N LEU A 32 4.379 5.636 -8.823 1.00 0.46 N ATOM 463 CA LEU A 32 4.074 4.265 -8.399 1.00 0.44 C ATOM 464 C LEU A 32 2.667 3.898 -8.875 1.00 0.40 C ATOM 465 O LEU A 32 1.718 4.497 -8.393 1.00 0.44 O ATOM 466 CB LEU A 32 4.204 4.268 -6.860 1.00 0.46 C ATOM 467 CG LEU A 32 3.988 2.958 -6.077 1.00 0.57 C ATOM 468 CD1 LEU A 32 2.590 2.361 -6.267 1.00 2.06 C ATOM 469 CD2 LEU A 32 5.065 1.914 -6.390 1.00 2.08 C ATOM 0 H LEU A 32 3.979 6.326 -8.187 1.00 0.46 H new ATOM 0 HA LEU A 32 4.746 3.519 -8.823 1.00 0.44 H new ATOM 0 HB2 LEU A 32 5.202 4.633 -6.617 1.00 0.46 H new ATOM 0 HB3 LEU A 32 3.495 5.000 -6.474 1.00 0.46 H new ATOM 0 HG LEU A 32 4.075 3.236 -5.027 1.00 0.57 H new ATOM 0 HD11 LEU A 32 2.506 1.441 -5.689 1.00 2.06 H new ATOM 0 HD12 LEU A 32 1.840 3.074 -5.925 1.00 2.06 H new ATOM 0 HD13 LEU A 32 2.428 2.142 -7.322 1.00 2.06 H new ATOM 0 HD21 LEU A 32 4.872 1.008 -5.815 1.00 2.08 H new ATOM 0 HD22 LEU A 32 5.046 1.680 -7.454 1.00 2.08 H new ATOM 0 HD23 LEU A 32 6.045 2.311 -6.123 1.00 2.08 H new ATOM 481 N VAL A 33 2.518 2.929 -9.776 1.00 0.37 N ATOM 482 CA VAL A 33 1.221 2.563 -10.385 1.00 0.40 C ATOM 483 C VAL A 33 0.618 1.287 -9.760 1.00 0.42 C ATOM 484 O VAL A 33 -0.598 1.123 -9.772 1.00 0.54 O ATOM 485 CB VAL A 33 1.343 2.348 -11.916 1.00 0.57 C ATOM 486 CG1 VAL A 33 1.464 3.688 -12.656 1.00 0.88 C ATOM 487 CG2 VAL A 33 2.536 1.461 -12.328 1.00 0.42 C ATOM 0 H VAL A 33 3.297 2.364 -10.114 1.00 0.37 H new ATOM 0 HA VAL A 33 0.558 3.405 -10.185 1.00 0.40 H new ATOM 0 HB VAL A 33 0.426 1.831 -12.198 1.00 0.57 H new ATOM 0 HG11 VAL A 33 1.548 3.506 -13.727 1.00 0.88 H new ATOM 0 HG12 VAL A 33 0.579 4.293 -12.459 1.00 0.88 H new ATOM 0 HG13 VAL A 33 2.351 4.217 -12.307 1.00 0.88 H new ATOM 0 HG21 VAL A 33 2.555 1.357 -13.413 1.00 0.42 H new ATOM 0 HG22 VAL A 33 3.465 1.921 -11.992 1.00 0.42 H new ATOM 0 HG23 VAL A 33 2.433 0.477 -11.871 1.00 0.42 H new ATOM 497 N GLY A 34 1.449 0.366 -9.244 1.00 0.38 N ATOM 498 CA GLY A 34 1.001 -0.916 -8.680 1.00 0.42 C ATOM 499 C GLY A 34 1.993 -1.596 -7.738 1.00 0.42 C ATOM 500 O GLY A 34 3.060 -1.064 -7.435 1.00 0.42 O ATOM 0 H GLY A 34 2.460 0.493 -9.207 1.00 0.38 H new ATOM 0 HA2 GLY A 34 0.068 -0.751 -8.141 1.00 0.42 H new ATOM 0 HA3 GLY A 34 0.779 -1.598 -9.501 1.00 0.42 H new ATOM 504 N ALA A 35 1.631 -2.806 -7.307 1.00 0.45 N ATOM 505 CA ALA A 35 2.469 -3.734 -6.545 1.00 0.46 C ATOM 506 C ALA A 35 2.274 -5.196 -6.998 1.00 0.53 C ATOM 507 O ALA A 35 1.535 -5.449 -7.950 1.00 0.53 O ATOM 508 CB ALA A 35 2.166 -3.554 -5.051 1.00 0.47 C ATOM 0 H ALA A 35 0.701 -3.183 -7.489 1.00 0.45 H new ATOM 0 HA ALA A 35 3.518 -3.504 -6.731 1.00 0.46 H new ATOM 0 HB1 ALA A 35 2.783 -4.239 -4.470 1.00 0.47 H new ATOM 0 HB2 ALA A 35 2.386 -2.528 -4.756 1.00 0.47 H new ATOM 0 HB3 ALA A 35 1.113 -3.767 -4.865 1.00 0.47 H new ATOM 514 N ARG A 36 2.942 -6.148 -6.328 1.00 0.61 N ATOM 515 CA ARG A 36 2.799 -7.611 -6.487 1.00 0.63 C ATOM 516 C ARG A 36 3.340 -8.286 -5.216 1.00 0.61 C ATOM 517 O ARG A 36 4.176 -7.703 -4.540 1.00 0.72 O ATOM 518 CB ARG A 36 3.473 -8.052 -7.806 1.00 0.77 C ATOM 519 CG ARG A 36 4.035 -9.482 -7.903 1.00 1.67 C ATOM 520 CD ARG A 36 4.937 -9.580 -9.144 1.00 1.96 C ATOM 521 NE ARG A 36 5.431 -10.946 -9.413 1.00 2.91 N ATOM 522 CZ ARG A 36 6.684 -11.381 -9.274 1.00 4.10 C ATOM 523 NH1 ARG A 36 7.597 -10.725 -8.589 1.00 4.83 N ATOM 524 NH2 ARG A 36 7.035 -12.515 -9.856 1.00 5.12 N ATOM 0 H ARG A 36 3.636 -5.908 -5.620 1.00 0.61 H new ATOM 0 HA ARG A 36 1.759 -7.923 -6.582 1.00 0.63 H new ATOM 0 HB2 ARG A 36 2.745 -7.927 -8.608 1.00 0.77 H new ATOM 0 HB3 ARG A 36 4.291 -7.360 -8.007 1.00 0.77 H new ATOM 0 HG2 ARG A 36 4.602 -9.726 -7.005 1.00 1.67 H new ATOM 0 HG3 ARG A 36 3.221 -10.203 -7.971 1.00 1.67 H new ATOM 0 HD2 ARG A 36 4.383 -9.226 -10.013 1.00 1.96 H new ATOM 0 HD3 ARG A 36 5.790 -8.913 -9.016 1.00 1.96 H new ATOM 0 HE ARG A 36 4.744 -11.626 -9.738 1.00 2.91 H new ATOM 0 HH11 ARG A 36 7.359 -9.843 -8.136 1.00 4.83 H new ATOM 0 HH12 ARG A 36 8.543 -11.099 -8.511 1.00 4.83 H new ATOM 0 HH21 ARG A 36 6.352 -13.042 -10.400 1.00 5.12 H new ATOM 0 HH22 ARG A 36 7.989 -12.863 -9.761 1.00 5.12 H new ATOM 538 N THR A 37 2.880 -9.485 -4.846 1.00 0.70 N ATOM 539 CA THR A 37 3.189 -10.125 -3.544 1.00 0.70 C ATOM 540 C THR A 37 2.863 -11.625 -3.592 1.00 0.84 C ATOM 541 O THR A 37 1.959 -11.997 -4.342 1.00 0.91 O ATOM 542 CB THR A 37 2.455 -9.392 -2.405 1.00 0.63 C ATOM 543 OG1 THR A 37 2.610 -10.077 -1.192 1.00 0.75 O ATOM 544 CG2 THR A 37 0.949 -9.254 -2.626 1.00 0.67 C ATOM 0 H THR A 37 2.276 -10.052 -5.441 1.00 0.70 H new ATOM 0 HA THR A 37 4.257 -10.042 -3.342 1.00 0.70 H new ATOM 0 HB THR A 37 2.907 -8.400 -2.384 1.00 0.63 H new ATOM 0 HG1 THR A 37 2.138 -9.595 -0.481 1.00 0.75 H new ATOM 0 HG21 THR A 37 0.504 -8.728 -1.782 1.00 0.67 H new ATOM 0 HG22 THR A 37 0.766 -8.692 -3.542 1.00 0.67 H new ATOM 0 HG23 THR A 37 0.502 -10.244 -2.713 1.00 0.67 H new ATOM 552 N PRO A 38 3.550 -12.503 -2.827 1.00 0.92 N ATOM 553 CA PRO A 38 3.326 -13.950 -2.883 1.00 1.02 C ATOM 554 C PRO A 38 2.112 -14.452 -2.093 1.00 1.05 C ATOM 555 O PRO A 38 1.684 -15.579 -2.316 1.00 1.14 O ATOM 556 CB PRO A 38 4.619 -14.570 -2.356 1.00 1.04 C ATOM 557 CG PRO A 38 5.150 -13.536 -1.372 1.00 1.02 C ATOM 558 CD PRO A 38 4.728 -12.216 -2.011 1.00 0.92 C ATOM 0 HA PRO A 38 3.090 -14.240 -3.907 1.00 1.02 H new ATOM 0 HB2 PRO A 38 4.433 -15.527 -1.868 1.00 1.04 H new ATOM 0 HB3 PRO A 38 5.329 -14.756 -3.161 1.00 1.04 H new ATOM 0 HG2 PRO A 38 4.717 -13.662 -0.380 1.00 1.02 H new ATOM 0 HG3 PRO A 38 6.232 -13.603 -1.259 1.00 1.02 H new ATOM 0 HD2 PRO A 38 4.498 -11.472 -1.248 1.00 0.92 H new ATOM 0 HD3 PRO A 38 5.532 -11.807 -2.623 1.00 0.92 H new ATOM 566 N VAL A 39 1.547 -13.645 -1.189 1.00 1.04 N ATOM 567 CA VAL A 39 0.363 -13.980 -0.372 1.00 1.04 C ATOM 568 C VAL A 39 -0.915 -13.275 -0.827 1.00 0.92 C ATOM 569 O VAL A 39 -1.842 -13.100 -0.046 1.00 0.94 O ATOM 570 CB VAL A 39 0.627 -13.705 1.124 1.00 1.10 C ATOM 571 CG1 VAL A 39 1.816 -14.540 1.629 1.00 1.20 C ATOM 572 CG2 VAL A 39 0.826 -12.198 1.367 1.00 1.07 C ATOM 0 H VAL A 39 1.908 -12.711 -0.995 1.00 1.04 H new ATOM 0 HA VAL A 39 0.195 -15.047 -0.518 1.00 1.04 H new ATOM 0 HB VAL A 39 -0.246 -14.013 1.700 1.00 1.10 H new ATOM 0 HG11 VAL A 39 1.985 -14.331 2.685 1.00 1.20 H new ATOM 0 HG12 VAL A 39 1.597 -15.600 1.499 1.00 1.20 H new ATOM 0 HG13 VAL A 39 2.710 -14.282 1.061 1.00 1.20 H new ATOM 0 HG21 VAL A 39 1.011 -12.022 2.427 1.00 1.07 H new ATOM 0 HG22 VAL A 39 1.678 -11.845 0.786 1.00 1.07 H new ATOM 0 HG23 VAL A 39 -0.070 -11.659 1.060 1.00 1.07 H new ATOM 582 N ALA A 40 -0.975 -12.934 -2.111 1.00 0.85 N ATOM 583 CA ALA A 40 -2.197 -12.588 -2.836 1.00 0.75 C ATOM 584 C ALA A 40 -2.125 -13.174 -4.261 1.00 1.01 C ATOM 585 O ALA A 40 -1.124 -13.769 -4.662 1.00 1.60 O ATOM 586 CB ALA A 40 -2.336 -11.058 -2.816 1.00 0.55 C ATOM 0 H ALA A 40 -0.143 -12.889 -2.699 1.00 0.85 H new ATOM 0 HA ALA A 40 -3.086 -13.014 -2.370 1.00 0.75 H new ATOM 0 HB1 ALA A 40 -3.241 -10.768 -3.350 1.00 0.55 H new ATOM 0 HB2 ALA A 40 -2.397 -10.712 -1.784 1.00 0.55 H new ATOM 0 HB3 ALA A 40 -1.469 -10.608 -3.299 1.00 0.55 H new ATOM 592 N GLU A 41 -3.212 -13.055 -5.016 1.00 0.78 N ATOM 593 CA GLU A 41 -3.300 -13.345 -6.447 1.00 0.87 C ATOM 594 C GLU A 41 -3.219 -12.035 -7.241 1.00 0.87 C ATOM 595 O GLU A 41 -2.438 -11.907 -8.181 1.00 1.17 O ATOM 596 CB GLU A 41 -4.649 -14.042 -6.705 1.00 0.84 C ATOM 597 CG GLU A 41 -4.818 -14.465 -8.171 1.00 0.92 C ATOM 598 CD GLU A 41 -6.263 -14.388 -8.663 1.00 2.48 C ATOM 599 OE1 GLU A 41 -6.980 -13.436 -8.278 1.00 3.96 O ATOM 600 OE2 GLU A 41 -6.631 -15.204 -9.535 1.00 3.32 O ATOM 0 H GLU A 41 -4.101 -12.738 -4.629 1.00 0.78 H new ATOM 0 HA GLU A 41 -2.480 -13.990 -6.762 1.00 0.87 H new ATOM 0 HB2 GLU A 41 -4.729 -14.920 -6.065 1.00 0.84 H new ATOM 0 HB3 GLU A 41 -5.461 -13.370 -6.428 1.00 0.84 H new ATOM 0 HG2 GLU A 41 -4.194 -13.829 -8.799 1.00 0.92 H new ATOM 0 HG3 GLU A 41 -4.455 -15.486 -8.291 1.00 0.92 H new ATOM 607 N ARG A 42 -4.021 -11.061 -6.812 1.00 0.72 N ATOM 608 CA ARG A 42 -4.171 -9.728 -7.357 1.00 0.77 C ATOM 609 C ARG A 42 -3.952 -8.730 -6.210 1.00 0.73 C ATOM 610 O ARG A 42 -3.835 -9.076 -5.037 1.00 1.14 O ATOM 611 CB ARG A 42 -5.580 -9.626 -7.986 1.00 0.86 C ATOM 612 CG ARG A 42 -5.675 -10.424 -9.300 1.00 1.48 C ATOM 613 CD ARG A 42 -7.115 -10.539 -9.820 1.00 1.79 C ATOM 614 NE ARG A 42 -7.148 -11.119 -11.181 1.00 2.85 N ATOM 615 CZ ARG A 42 -7.604 -12.319 -11.540 1.00 4.02 C ATOM 616 NH1 ARG A 42 -8.138 -13.163 -10.694 1.00 4.81 N ATOM 617 NH2 ARG A 42 -7.514 -12.709 -12.791 1.00 5.07 N ATOM 0 H ARG A 42 -4.630 -11.205 -6.006 1.00 0.72 H new ATOM 0 HA ARG A 42 -3.445 -9.504 -8.139 1.00 0.77 H new ATOM 0 HB2 ARG A 42 -6.322 -9.998 -7.280 1.00 0.86 H new ATOM 0 HB3 ARG A 42 -5.819 -8.580 -8.177 1.00 0.86 H new ATOM 0 HG2 ARG A 42 -5.057 -9.943 -10.058 1.00 1.48 H new ATOM 0 HG3 ARG A 42 -5.268 -11.423 -9.144 1.00 1.48 H new ATOM 0 HD2 ARG A 42 -7.700 -11.161 -9.143 1.00 1.79 H new ATOM 0 HD3 ARG A 42 -7.580 -9.553 -9.831 1.00 1.79 H new ATOM 0 HE ARG A 42 -6.780 -10.533 -11.930 1.00 2.85 H new ATOM 0 HH11 ARG A 42 -8.220 -12.914 -9.708 1.00 4.81 H new ATOM 0 HH12 ARG A 42 -8.472 -14.070 -11.020 1.00 4.81 H new ATOM 0 HH21 ARG A 42 -7.095 -12.094 -13.488 1.00 5.07 H new ATOM 0 HH22 ARG A 42 -7.863 -13.627 -13.065 1.00 5.07 H new ATOM 631 N VAL A 43 -3.881 -7.461 -6.554 1.00 0.63 N ATOM 632 CA VAL A 43 -3.687 -6.339 -5.635 1.00 0.68 C ATOM 633 C VAL A 43 -4.271 -5.082 -6.274 1.00 0.79 C ATOM 634 O VAL A 43 -4.181 -4.917 -7.491 1.00 1.00 O ATOM 635 CB VAL A 43 -2.195 -6.169 -5.258 1.00 0.70 C ATOM 636 CG1 VAL A 43 -1.290 -5.749 -6.426 1.00 0.83 C ATOM 637 CG2 VAL A 43 -1.995 -5.189 -4.094 1.00 0.90 C ATOM 0 H VAL A 43 -3.960 -7.161 -7.526 1.00 0.63 H new ATOM 0 HA VAL A 43 -4.210 -6.533 -4.699 1.00 0.68 H new ATOM 0 HB VAL A 43 -1.890 -7.170 -4.952 1.00 0.70 H new ATOM 0 HG11 VAL A 43 -0.263 -5.653 -6.074 1.00 0.83 H new ATOM 0 HG12 VAL A 43 -1.335 -6.504 -7.211 1.00 0.83 H new ATOM 0 HG13 VAL A 43 -1.629 -4.792 -6.823 1.00 0.83 H new ATOM 0 HG21 VAL A 43 -0.932 -5.105 -3.868 1.00 0.90 H new ATOM 0 HG22 VAL A 43 -2.386 -4.210 -4.371 1.00 0.90 H new ATOM 0 HG23 VAL A 43 -2.525 -5.555 -3.215 1.00 0.90 H new ATOM 647 N GLU A 44 -4.881 -4.228 -5.459 1.00 0.76 N ATOM 648 CA GLU A 44 -5.369 -2.901 -5.826 1.00 0.72 C ATOM 649 C GLU A 44 -4.594 -1.840 -5.050 1.00 0.59 C ATOM 650 O GLU A 44 -4.082 -2.096 -3.959 1.00 0.76 O ATOM 651 CB GLU A 44 -6.842 -2.708 -5.454 1.00 1.07 C ATOM 652 CG GLU A 44 -7.803 -3.783 -5.954 1.00 1.74 C ATOM 653 CD GLU A 44 -9.159 -3.534 -5.309 1.00 2.46 C ATOM 654 OE1 GLU A 44 -9.864 -2.624 -5.800 1.00 2.98 O ATOM 655 OE2 GLU A 44 -9.423 -4.125 -4.240 1.00 3.48 O ATOM 0 H GLU A 44 -5.057 -4.451 -4.479 1.00 0.76 H new ATOM 0 HA GLU A 44 -5.240 -2.807 -6.904 1.00 0.72 H new ATOM 0 HB2 GLU A 44 -6.918 -2.657 -4.368 1.00 1.07 H new ATOM 0 HB3 GLU A 44 -7.171 -1.744 -5.843 1.00 1.07 H new ATOM 0 HG2 GLU A 44 -7.885 -3.747 -7.040 1.00 1.74 H new ATOM 0 HG3 GLU A 44 -7.434 -4.775 -5.695 1.00 1.74 H new ATOM 662 N LEU A 45 -4.593 -0.622 -5.581 1.00 0.62 N ATOM 663 CA LEU A 45 -4.034 0.570 -4.947 1.00 0.56 C ATOM 664 C LEU A 45 -5.178 1.520 -4.567 1.00 0.52 C ATOM 665 O LEU A 45 -5.900 1.994 -5.447 1.00 0.53 O ATOM 666 CB LEU A 45 -3.043 1.187 -5.950 1.00 0.69 C ATOM 667 CG LEU A 45 -2.366 2.484 -5.477 1.00 0.61 C ATOM 668 CD1 LEU A 45 -1.422 2.274 -4.286 1.00 0.82 C ATOM 669 CD2 LEU A 45 -1.554 3.053 -6.643 1.00 0.91 C ATOM 0 H LEU A 45 -4.996 -0.429 -6.498 1.00 0.62 H new ATOM 0 HA LEU A 45 -3.501 0.345 -4.023 1.00 0.56 H new ATOM 0 HB2 LEU A 45 -2.270 0.452 -6.174 1.00 0.69 H new ATOM 0 HB3 LEU A 45 -3.571 1.389 -6.882 1.00 0.69 H new ATOM 0 HG LEU A 45 -3.153 3.163 -5.150 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -0.977 3.228 -4.002 1.00 0.82 H new ATOM 0 HD12 LEU A 45 -1.983 1.870 -3.444 1.00 0.82 H new ATOM 0 HD13 LEU A 45 -0.634 1.575 -4.565 1.00 0.82 H new ATOM 0 HD21 LEU A 45 -1.064 3.975 -6.330 1.00 0.91 H new ATOM 0 HD22 LEU A 45 -0.800 2.328 -6.950 1.00 0.91 H new ATOM 0 HD23 LEU A 45 -2.219 3.262 -7.481 1.00 0.91 H new ATOM 681 N HIS A 46 -5.361 1.788 -3.272 1.00 0.52 N ATOM 682 CA HIS A 46 -6.471 2.573 -2.719 1.00 0.50 C ATOM 683 C HIS A 46 -6.031 3.835 -1.946 1.00 0.48 C ATOM 684 O HIS A 46 -5.005 3.876 -1.258 1.00 0.57 O ATOM 685 CB HIS A 46 -7.322 1.699 -1.765 1.00 0.52 C ATOM 686 CG HIS A 46 -8.135 0.556 -2.331 1.00 0.55 C ATOM 687 ND1 HIS A 46 -8.860 -0.348 -1.564 1.00 0.59 N ATOM 688 CD2 HIS A 46 -8.293 0.197 -3.640 1.00 0.55 C ATOM 689 CE1 HIS A 46 -9.427 -1.219 -2.402 1.00 0.63 C ATOM 690 NE2 HIS A 46 -9.130 -0.903 -3.668 1.00 0.61 N ATOM 0 H HIS A 46 -4.719 1.454 -2.553 1.00 0.52 H new ATOM 0 HA HIS A 46 -7.046 2.903 -3.584 1.00 0.50 H new ATOM 0 HB2 HIS A 46 -6.649 1.282 -1.016 1.00 0.52 H new ATOM 0 HB3 HIS A 46 -8.011 2.362 -1.241 1.00 0.52 H new ATOM 0 HD2 HIS A 46 -7.846 0.683 -4.495 1.00 0.55 H new ATOM 0 HE1 HIS A 46 -10.037 -2.058 -2.101 1.00 0.63 H new ATOM 0 HE2 HIS A 46 -9.461 -1.386 -4.503 1.00 0.61 H new ATOM 698 N GLU A 47 -6.911 4.832 -1.994 1.00 0.44 N ATOM 699 CA GLU A 47 -6.982 5.968 -1.076 1.00 0.46 C ATOM 700 C GLU A 47 -7.962 5.687 0.082 1.00 0.53 C ATOM 701 O GLU A 47 -8.855 4.839 -0.044 1.00 0.62 O ATOM 702 CB GLU A 47 -7.395 7.224 -1.867 1.00 0.40 C ATOM 703 CG GLU A 47 -8.836 7.157 -2.396 1.00 0.45 C ATOM 704 CD GLU A 47 -9.348 8.433 -3.062 1.00 1.00 C ATOM 705 OE1 GLU A 47 -8.657 9.045 -3.899 1.00 2.42 O ATOM 706 OE2 GLU A 47 -10.543 8.735 -2.856 1.00 1.95 O ATOM 0 H GLU A 47 -7.633 4.872 -2.713 1.00 0.44 H new ATOM 0 HA GLU A 47 -6.002 6.133 -0.628 1.00 0.46 H new ATOM 0 HB2 GLU A 47 -7.290 8.100 -1.227 1.00 0.40 H new ATOM 0 HB3 GLU A 47 -6.712 7.358 -2.706 1.00 0.40 H new ATOM 0 HG2 GLU A 47 -8.904 6.340 -3.114 1.00 0.45 H new ATOM 0 HG3 GLU A 47 -9.499 6.909 -1.567 1.00 0.45 H new ATOM 713 N THR A 48 -7.840 6.445 1.175 1.00 0.62 N ATOM 714 CA THR A 48 -8.769 6.495 2.313 1.00 0.67 C ATOM 715 C THR A 48 -9.080 7.978 2.550 1.00 0.64 C ATOM 716 O THR A 48 -8.193 8.808 2.356 1.00 0.73 O ATOM 717 CB THR A 48 -8.082 5.925 3.558 1.00 0.89 C ATOM 718 OG1 THR A 48 -7.470 4.679 3.314 1.00 1.24 O ATOM 719 CG2 THR A 48 -9.042 5.745 4.733 1.00 0.87 C ATOM 0 H THR A 48 -7.048 7.076 1.299 1.00 0.62 H new ATOM 0 HA THR A 48 -9.672 5.918 2.114 1.00 0.67 H new ATOM 0 HB THR A 48 -7.325 6.667 3.813 1.00 0.89 H new ATOM 0 HG1 THR A 48 -6.810 4.496 4.015 1.00 1.24 H new ATOM 0 HG21 THR A 48 -8.500 5.338 5.587 1.00 0.87 H new ATOM 0 HG22 THR A 48 -9.472 6.710 5.002 1.00 0.87 H new ATOM 0 HG23 THR A 48 -9.840 5.058 4.449 1.00 0.87 H new ATOM 727 N PHE A 49 -10.295 8.331 2.979 1.00 0.70 N ATOM 728 CA PHE A 49 -10.711 9.736 3.135 1.00 0.73 C ATOM 729 C PHE A 49 -11.922 9.924 4.069 1.00 0.66 C ATOM 730 O PHE A 49 -12.463 8.977 4.639 1.00 0.69 O ATOM 731 CB PHE A 49 -10.952 10.357 1.741 1.00 0.88 C ATOM 732 CG PHE A 49 -12.070 9.705 0.957 1.00 0.91 C ATOM 733 CD1 PHE A 49 -13.408 10.107 1.141 1.00 1.90 C ATOM 734 CD2 PHE A 49 -11.777 8.682 0.042 1.00 2.11 C ATOM 735 CE1 PHE A 49 -14.446 9.481 0.432 1.00 1.85 C ATOM 736 CE2 PHE A 49 -12.811 8.060 -0.670 1.00 2.24 C ATOM 737 CZ PHE A 49 -14.149 8.455 -0.481 1.00 1.10 C ATOM 0 H PHE A 49 -11.019 7.657 3.228 1.00 0.70 H new ATOM 0 HA PHE A 49 -9.898 10.266 3.631 1.00 0.73 H new ATOM 0 HB2 PHE A 49 -11.178 11.417 1.862 1.00 0.88 H new ATOM 0 HB3 PHE A 49 -10.031 10.291 1.162 1.00 0.88 H new ATOM 0 HD1 PHE A 49 -13.637 10.904 1.833 1.00 1.90 H new ATOM 0 HD2 PHE A 49 -10.754 8.374 -0.113 1.00 2.11 H new ATOM 0 HE1 PHE A 49 -15.470 9.787 0.588 1.00 1.85 H new ATOM 0 HE2 PHE A 49 -12.580 7.271 -1.370 1.00 2.24 H new ATOM 0 HZ PHE A 49 -14.942 7.973 -1.034 1.00 1.10 H new ATOM 747 N MET A 50 -12.354 11.183 4.230 1.00 0.67 N ATOM 748 CA MET A 50 -13.493 11.602 5.061 1.00 0.69 C ATOM 749 C MET A 50 -14.615 12.230 4.220 1.00 0.61 C ATOM 750 O MET A 50 -14.366 12.874 3.200 1.00 0.58 O ATOM 751 CB MET A 50 -13.009 12.593 6.128 1.00 0.83 C ATOM 752 CG MET A 50 -12.086 11.908 7.139 1.00 2.04 C ATOM 753 SD MET A 50 -11.363 13.058 8.327 1.00 2.66 S ATOM 754 CE MET A 50 -9.808 13.388 7.461 1.00 4.32 C ATOM 0 H MET A 50 -11.901 11.970 3.766 1.00 0.67 H new ATOM 0 HA MET A 50 -13.907 10.715 5.541 1.00 0.69 H new ATOM 0 HB2 MET A 50 -12.481 13.418 5.650 1.00 0.83 H new ATOM 0 HB3 MET A 50 -13.867 13.022 6.646 1.00 0.83 H new ATOM 0 HG2 MET A 50 -12.648 11.145 7.677 1.00 2.04 H new ATOM 0 HG3 MET A 50 -11.286 11.397 6.604 1.00 2.04 H new ATOM 0 HE1 MET A 50 -9.209 14.089 8.043 1.00 4.32 H new ATOM 0 HE2 MET A 50 -9.257 12.456 7.336 1.00 4.32 H new ATOM 0 HE3 MET A 50 -10.021 13.818 6.482 1.00 4.32 H new ATOM 764 N ARG A 51 -15.861 12.052 4.663 1.00 0.69 N ATOM 765 CA ARG A 51 -17.076 12.531 3.998 1.00 0.64 C ATOM 766 C ARG A 51 -18.117 13.033 5.000 1.00 0.76 C ATOM 767 O ARG A 51 -18.210 12.559 6.132 1.00 0.88 O ATOM 768 CB ARG A 51 -17.689 11.391 3.156 1.00 0.76 C ATOM 769 CG ARG A 51 -17.386 11.477 1.655 1.00 1.42 C ATOM 770 CD ARG A 51 -18.226 12.518 0.897 1.00 2.45 C ATOM 771 NE ARG A 51 -17.682 13.886 1.027 1.00 4.11 N ATOM 772 CZ ARG A 51 -18.368 15.021 1.145 1.00 5.43 C ATOM 773 NH1 ARG A 51 -19.673 15.059 1.321 1.00 5.46 N ATOM 774 NH2 ARG A 51 -17.717 16.166 1.113 1.00 7.05 N ATOM 0 H ARG A 51 -16.060 11.551 5.529 1.00 0.69 H new ATOM 0 HA ARG A 51 -16.794 13.367 3.358 1.00 0.64 H new ATOM 0 HB2 ARG A 51 -17.320 10.438 3.534 1.00 0.76 H new ATOM 0 HB3 ARG A 51 -18.770 11.393 3.297 1.00 0.76 H new ATOM 0 HG2 ARG A 51 -16.330 11.714 1.523 1.00 1.42 H new ATOM 0 HG3 ARG A 51 -17.552 10.498 1.206 1.00 1.42 H new ATOM 0 HD2 ARG A 51 -18.270 12.247 -0.158 1.00 2.45 H new ATOM 0 HD3 ARG A 51 -19.249 12.500 1.274 1.00 2.45 H new ATOM 0 HE ARG A 51 -16.665 13.970 1.026 1.00 4.11 H new ATOM 0 HH11 ARG A 51 -20.206 14.191 1.373 1.00 5.46 H new ATOM 0 HH12 ARG A 51 -20.150 15.956 1.406 1.00 5.46 H new ATOM 0 HH21 ARG A 51 -16.703 16.173 0.999 1.00 7.05 H new ATOM 0 HH22 ARG A 51 -18.227 17.045 1.202 1.00 7.05 H new ATOM 788 N GLU A 52 -18.977 13.936 4.541 1.00 0.84 N ATOM 789 CA GLU A 52 -20.338 14.045 5.016 1.00 0.94 C ATOM 790 C GLU A 52 -21.220 13.171 4.113 1.00 1.13 C ATOM 791 O GLU A 52 -21.061 13.239 2.892 1.00 1.32 O ATOM 792 CB GLU A 52 -20.729 15.511 4.852 1.00 1.32 C ATOM 793 CG GLU A 52 -22.120 15.802 5.385 1.00 1.80 C ATOM 794 CD GLU A 52 -22.064 16.193 6.849 1.00 2.08 C ATOM 795 OE1 GLU A 52 -21.629 15.370 7.677 1.00 2.40 O ATOM 796 OE2 GLU A 52 -22.458 17.320 7.193 1.00 3.12 O ATOM 0 H GLU A 52 -18.739 14.617 3.820 1.00 0.84 H new ATOM 0 HA GLU A 52 -20.450 13.725 6.052 1.00 0.94 H new ATOM 0 HB2 GLU A 52 -20.005 16.138 5.373 1.00 1.32 H new ATOM 0 HB3 GLU A 52 -20.683 15.781 3.797 1.00 1.32 H new ATOM 0 HG2 GLU A 52 -22.575 16.606 4.806 1.00 1.80 H new ATOM 0 HG3 GLU A 52 -22.753 14.923 5.263 1.00 1.80 H new ATOM 803 N VAL A 53 -22.159 12.419 4.687 1.00 1.28 N ATOM 804 CA VAL A 53 -23.335 11.854 3.992 1.00 1.63 C ATOM 805 C VAL A 53 -24.495 11.897 4.994 1.00 1.77 C ATOM 806 O VAL A 53 -24.252 11.699 6.179 1.00 1.96 O ATOM 807 CB VAL A 53 -23.105 10.405 3.479 1.00 1.89 C ATOM 808 CG1 VAL A 53 -24.279 9.949 2.592 1.00 2.29 C ATOM 809 CG2 VAL A 53 -21.830 10.240 2.630 1.00 2.83 C ATOM 0 H VAL A 53 -22.129 12.174 5.677 1.00 1.28 H new ATOM 0 HA VAL A 53 -23.546 12.442 3.099 1.00 1.63 H new ATOM 0 HB VAL A 53 -23.011 9.804 4.384 1.00 1.89 H new ATOM 0 HG11 VAL A 53 -24.098 8.932 2.243 1.00 2.29 H new ATOM 0 HG12 VAL A 53 -25.203 9.976 3.170 1.00 2.29 H new ATOM 0 HG13 VAL A 53 -24.368 10.616 1.735 1.00 2.29 H new ATOM 0 HG21 VAL A 53 -21.738 9.202 2.309 1.00 2.83 H new ATOM 0 HG22 VAL A 53 -21.890 10.887 1.755 1.00 2.83 H new ATOM 0 HG23 VAL A 53 -20.959 10.514 3.225 1.00 2.83 H new ATOM 819 N GLU A 54 -25.716 12.244 4.560 1.00 2.19 N ATOM 820 CA GLU A 54 -26.909 12.410 5.418 1.00 2.41 C ATOM 821 C GLU A 54 -26.789 13.566 6.446 1.00 2.28 C ATOM 822 O GLU A 54 -27.459 13.553 7.479 1.00 2.37 O ATOM 823 CB GLU A 54 -27.261 11.119 6.185 1.00 2.44 C ATOM 824 CG GLU A 54 -27.434 9.804 5.422 1.00 3.39 C ATOM 825 CD GLU A 54 -27.676 8.736 6.481 1.00 3.78 C ATOM 826 OE1 GLU A 54 -28.826 8.644 6.968 1.00 3.87 O ATOM 827 OE2 GLU A 54 -26.691 8.220 7.052 1.00 4.57 O ATOM 0 H GLU A 54 -25.911 12.423 3.575 1.00 2.19 H new ATOM 0 HA GLU A 54 -27.704 12.658 4.715 1.00 2.41 H new ATOM 0 HB2 GLU A 54 -26.482 10.962 6.931 1.00 2.44 H new ATOM 0 HB3 GLU A 54 -28.189 11.305 6.726 1.00 2.44 H new ATOM 0 HG2 GLU A 54 -28.272 9.863 4.728 1.00 3.39 H new ATOM 0 HG3 GLU A 54 -26.547 9.575 4.832 1.00 3.39 H new ATOM 834 N GLY A 55 -25.886 14.533 6.237 1.00 2.20 N ATOM 835 CA GLY A 55 -25.551 15.548 7.258 1.00 2.26 C ATOM 836 C GLY A 55 -24.779 14.974 8.458 1.00 1.89 C ATOM 837 O GLY A 55 -24.691 15.602 9.517 1.00 2.12 O ATOM 0 H GLY A 55 -25.368 14.638 5.365 1.00 2.20 H new ATOM 0 HA2 GLY A 55 -24.956 16.336 6.795 1.00 2.26 H new ATOM 0 HA3 GLY A 55 -26.471 16.011 7.615 1.00 2.26 H new ATOM 841 N LYS A 56 -24.209 13.780 8.289 1.00 1.46 N ATOM 842 CA LYS A 56 -23.488 12.988 9.266 1.00 1.25 C ATOM 843 C LYS A 56 -22.064 12.710 8.753 1.00 1.03 C ATOM 844 O LYS A 56 -21.806 12.354 7.597 1.00 1.00 O ATOM 845 CB LYS A 56 -24.254 11.684 9.563 1.00 1.23 C ATOM 846 CG LYS A 56 -25.420 11.903 10.544 1.00 1.36 C ATOM 847 CD LYS A 56 -26.245 10.618 10.734 1.00 1.81 C ATOM 848 CE LYS A 56 -27.364 10.522 9.691 1.00 2.24 C ATOM 849 NZ LYS A 56 -27.717 9.120 9.373 1.00 3.02 N ATOM 0 H LYS A 56 -24.248 13.309 7.385 1.00 1.46 H new ATOM 0 HA LYS A 56 -23.409 13.540 10.202 1.00 1.25 H new ATOM 0 HB2 LYS A 56 -24.639 11.271 8.631 1.00 1.23 H new ATOM 0 HB3 LYS A 56 -23.566 10.947 9.978 1.00 1.23 H new ATOM 0 HG2 LYS A 56 -25.030 12.232 11.507 1.00 1.36 H new ATOM 0 HG3 LYS A 56 -26.065 12.699 10.172 1.00 1.36 H new ATOM 0 HD2 LYS A 56 -25.593 9.748 10.654 1.00 1.81 H new ATOM 0 HD3 LYS A 56 -26.675 10.603 11.736 1.00 1.81 H new ATOM 0 HE2 LYS A 56 -28.248 11.042 10.061 1.00 2.24 H new ATOM 0 HE3 LYS A 56 -27.052 11.032 8.779 1.00 2.24 H new ATOM 0 HZ1 LYS A 56 -28.564 9.104 8.770 1.00 3.02 H new ATOM 0 HZ2 LYS A 56 -26.926 8.668 8.872 1.00 3.02 H new ATOM 0 HZ3 LYS A 56 -27.910 8.602 10.254 1.00 3.02 H new ATOM 863 N LYS A 57 -21.137 12.892 9.685 1.00 1.09 N ATOM 864 CA LYS A 57 -19.694 12.781 9.516 1.00 1.09 C ATOM 865 C LYS A 57 -19.326 11.291 9.415 1.00 1.06 C ATOM 866 O LYS A 57 -19.613 10.531 10.338 1.00 1.21 O ATOM 867 CB LYS A 57 -18.972 13.471 10.704 1.00 1.44 C ATOM 868 CG LYS A 57 -19.676 14.638 11.433 1.00 2.21 C ATOM 869 CD LYS A 57 -20.132 15.817 10.551 1.00 2.96 C ATOM 870 CE LYS A 57 -21.608 16.140 10.845 1.00 3.75 C ATOM 871 NZ LYS A 57 -22.201 17.050 9.844 1.00 4.05 N ATOM 0 H LYS A 57 -21.390 13.137 10.642 1.00 1.09 H new ATOM 0 HA LYS A 57 -19.374 13.283 8.603 1.00 1.09 H new ATOM 0 HB2 LYS A 57 -18.753 12.704 11.446 1.00 1.44 H new ATOM 0 HB3 LYS A 57 -18.015 13.842 10.337 1.00 1.44 H new ATOM 0 HG2 LYS A 57 -20.549 14.241 11.952 1.00 2.21 H new ATOM 0 HG3 LYS A 57 -18.999 15.023 12.196 1.00 2.21 H new ATOM 0 HD2 LYS A 57 -19.512 16.692 10.746 1.00 2.96 H new ATOM 0 HD3 LYS A 57 -20.007 15.566 9.498 1.00 2.96 H new ATOM 0 HE2 LYS A 57 -22.181 15.213 10.872 1.00 3.75 H new ATOM 0 HE3 LYS A 57 -21.687 16.592 11.834 1.00 3.75 H new ATOM 0 HZ1 LYS A 57 -23.184 16.766 9.656 1.00 4.05 H new ATOM 0 HZ2 LYS A 57 -22.186 18.024 10.208 1.00 4.05 H new ATOM 0 HZ3 LYS A 57 -21.652 17.002 8.962 1.00 4.05 H new ATOM 885 N VAL A 58 -18.751 10.870 8.296 1.00 1.00 N ATOM 886 CA VAL A 58 -18.432 9.487 7.943 1.00 1.07 C ATOM 887 C VAL A 58 -17.080 9.411 7.211 1.00 1.08 C ATOM 888 O VAL A 58 -16.430 10.437 6.991 1.00 1.47 O ATOM 889 CB VAL A 58 -19.566 8.890 7.078 1.00 1.18 C ATOM 890 CG1 VAL A 58 -20.870 8.691 7.870 1.00 2.26 C ATOM 891 CG2 VAL A 58 -19.853 9.695 5.800 1.00 2.87 C ATOM 0 H VAL A 58 -18.477 11.524 7.563 1.00 1.00 H new ATOM 0 HA VAL A 58 -18.348 8.899 8.857 1.00 1.07 H new ATOM 0 HB VAL A 58 -19.190 7.913 6.774 1.00 1.18 H new ATOM 0 HG11 VAL A 58 -21.633 8.270 7.215 1.00 2.26 H new ATOM 0 HG12 VAL A 58 -20.690 8.011 8.702 1.00 2.26 H new ATOM 0 HG13 VAL A 58 -21.212 9.652 8.254 1.00 2.26 H new ATOM 0 HG21 VAL A 58 -20.659 9.218 5.243 1.00 2.87 H new ATOM 0 HG22 VAL A 58 -20.148 10.710 6.068 1.00 2.87 H new ATOM 0 HG23 VAL A 58 -18.956 9.729 5.182 1.00 2.87 H new ATOM 901 N MET A 59 -16.649 8.212 6.812 1.00 0.97 N ATOM 902 CA MET A 59 -15.410 7.982 6.048 1.00 0.87 C ATOM 903 C MET A 59 -15.687 7.319 4.691 1.00 0.94 C ATOM 904 O MET A 59 -16.823 6.957 4.389 1.00 1.18 O ATOM 905 CB MET A 59 -14.410 7.160 6.878 1.00 0.86 C ATOM 906 CG MET A 59 -13.918 7.921 8.117 1.00 0.96 C ATOM 907 SD MET A 59 -14.960 7.769 9.589 1.00 2.81 S ATOM 908 CE MET A 59 -13.703 7.229 10.773 1.00 2.98 C ATOM 0 H MET A 59 -17.159 7.352 7.013 1.00 0.97 H new ATOM 0 HA MET A 59 -14.965 8.955 5.839 1.00 0.87 H new ATOM 0 HB2 MET A 59 -14.880 6.227 7.190 1.00 0.86 H new ATOM 0 HB3 MET A 59 -13.556 6.894 6.255 1.00 0.86 H new ATOM 0 HG2 MET A 59 -12.916 7.569 8.364 1.00 0.96 H new ATOM 0 HG3 MET A 59 -13.831 8.977 7.862 1.00 0.96 H new ATOM 0 HE1 MET A 59 -14.163 7.082 11.750 1.00 2.98 H new ATOM 0 HE2 MET A 59 -13.263 6.291 10.434 1.00 2.98 H new ATOM 0 HE3 MET A 59 -12.925 7.988 10.849 1.00 2.98 H new ATOM 918 N GLY A 60 -14.642 7.175 3.873 1.00 0.81 N ATOM 919 CA GLY A 60 -14.683 6.505 2.578 1.00 0.89 C ATOM 920 C GLY A 60 -13.321 5.972 2.141 1.00 0.77 C ATOM 921 O GLY A 60 -12.298 6.197 2.785 1.00 0.68 O ATOM 0 H GLY A 60 -13.716 7.534 4.104 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -15.393 5.679 2.624 1.00 0.89 H new ATOM 0 HA3 GLY A 60 -15.053 7.202 1.826 1.00 0.89 H new ATOM 925 N MET A 61 -13.328 5.236 1.032 1.00 0.79 N ATOM 926 CA MET A 61 -12.176 4.586 0.416 1.00 0.66 C ATOM 927 C MET A 61 -12.505 4.348 -1.057 1.00 0.61 C ATOM 928 O MET A 61 -13.661 4.101 -1.394 1.00 0.71 O ATOM 929 CB MET A 61 -11.912 3.281 1.185 1.00 0.74 C ATOM 930 CG MET A 61 -10.871 2.350 0.558 1.00 0.76 C ATOM 931 SD MET A 61 -10.936 0.586 1.045 1.00 0.70 S ATOM 932 CE MET A 61 -11.472 0.683 2.773 1.00 1.26 C ATOM 0 H MET A 61 -14.188 5.068 0.510 1.00 0.79 H new ATOM 0 HA MET A 61 -11.272 5.193 0.461 1.00 0.66 H new ATOM 0 HB2 MET A 61 -11.588 3.533 2.195 1.00 0.74 H new ATOM 0 HB3 MET A 61 -12.852 2.737 1.278 1.00 0.74 H new ATOM 0 HG2 MET A 61 -10.974 2.407 -0.526 1.00 0.76 H new ATOM 0 HG3 MET A 61 -9.881 2.734 0.804 1.00 0.76 H new ATOM 0 HE1 MET A 61 -11.381 -0.299 3.238 1.00 1.26 H new ATOM 0 HE2 MET A 61 -10.847 1.398 3.308 1.00 1.26 H new ATOM 0 HE3 MET A 61 -12.511 1.009 2.814 1.00 1.26 H new ATOM 942 N ARG A 62 -11.498 4.435 -1.926 1.00 0.51 N ATOM 943 CA ARG A 62 -11.615 4.260 -3.379 1.00 0.50 C ATOM 944 C ARG A 62 -10.299 3.706 -3.938 1.00 0.45 C ATOM 945 O ARG A 62 -9.261 3.911 -3.306 1.00 0.46 O ATOM 946 CB ARG A 62 -11.907 5.620 -4.041 1.00 0.72 C ATOM 947 CG ARG A 62 -13.358 6.102 -3.878 1.00 1.24 C ATOM 948 CD ARG A 62 -13.666 7.347 -4.726 1.00 1.46 C ATOM 949 NE ARG A 62 -12.640 8.400 -4.585 1.00 2.41 N ATOM 950 CZ ARG A 62 -12.142 9.171 -5.543 1.00 3.31 C ATOM 951 NH1 ARG A 62 -12.718 9.287 -6.720 1.00 3.45 N ATOM 952 NH2 ARG A 62 -11.030 9.832 -5.329 1.00 4.28 N ATOM 0 H ARG A 62 -10.543 4.636 -1.630 1.00 0.51 H new ATOM 0 HA ARG A 62 -12.427 3.565 -3.591 1.00 0.50 H new ATOM 0 HB2 ARG A 62 -11.238 6.369 -3.617 1.00 0.72 H new ATOM 0 HB3 ARG A 62 -11.676 5.551 -5.104 1.00 0.72 H new ATOM 0 HG2 ARG A 62 -14.038 5.298 -4.160 1.00 1.24 H new ATOM 0 HG3 ARG A 62 -13.547 6.326 -2.828 1.00 1.24 H new ATOM 0 HD2 ARG A 62 -13.743 7.058 -5.774 1.00 1.46 H new ATOM 0 HD3 ARG A 62 -14.636 7.749 -4.435 1.00 1.46 H new ATOM 0 HE ARG A 62 -12.273 8.552 -3.645 1.00 2.41 H new ATOM 0 HH11 ARG A 62 -13.577 8.774 -6.920 1.00 3.45 H new ATOM 0 HH12 ARG A 62 -12.306 9.890 -7.432 1.00 3.45 H new ATOM 0 HH21 ARG A 62 -10.554 9.752 -4.431 1.00 4.28 H new ATOM 0 HH22 ARG A 62 -10.641 10.427 -6.061 1.00 4.28 H new ATOM 966 N PRO A 63 -10.289 3.054 -5.114 1.00 0.48 N ATOM 967 CA PRO A 63 -9.056 2.797 -5.833 1.00 0.48 C ATOM 968 C PRO A 63 -8.534 4.069 -6.501 1.00 0.47 C ATOM 969 O PRO A 63 -9.312 4.969 -6.816 1.00 0.47 O ATOM 970 CB PRO A 63 -9.395 1.701 -6.836 1.00 0.53 C ATOM 971 CG PRO A 63 -10.851 2.016 -7.188 1.00 0.54 C ATOM 972 CD PRO A 63 -11.427 2.534 -5.864 1.00 0.51 C ATOM 0 HA PRO A 63 -8.250 2.477 -5.172 1.00 0.48 H new ATOM 0 HB2 PRO A 63 -8.748 1.738 -7.712 1.00 0.53 H new ATOM 0 HB3 PRO A 63 -9.288 0.707 -6.403 1.00 0.53 H new ATOM 0 HG2 PRO A 63 -10.922 2.764 -7.978 1.00 0.54 H new ATOM 0 HG3 PRO A 63 -11.381 1.131 -7.539 1.00 0.54 H new ATOM 0 HD2 PRO A 63 -12.170 3.313 -6.038 1.00 0.51 H new ATOM 0 HD3 PRO A 63 -11.926 1.735 -5.315 1.00 0.51 H new ATOM 980 N VAL A 64 -7.216 4.127 -6.716 1.00 0.49 N ATOM 981 CA VAL A 64 -6.505 5.230 -7.390 1.00 0.45 C ATOM 982 C VAL A 64 -5.489 4.687 -8.414 1.00 0.46 C ATOM 983 O VAL A 64 -5.012 3.565 -8.243 1.00 0.50 O ATOM 984 CB VAL A 64 -5.809 6.183 -6.386 1.00 0.45 C ATOM 985 CG1 VAL A 64 -6.846 6.937 -5.550 1.00 0.55 C ATOM 986 CG2 VAL A 64 -4.793 5.491 -5.463 1.00 0.63 C ATOM 0 H VAL A 64 -6.587 3.382 -6.416 1.00 0.49 H new ATOM 0 HA VAL A 64 -7.258 5.813 -7.920 1.00 0.45 H new ATOM 0 HB VAL A 64 -5.239 6.884 -6.996 1.00 0.45 H new ATOM 0 HG11 VAL A 64 -6.337 7.601 -4.851 1.00 0.55 H new ATOM 0 HG12 VAL A 64 -7.486 7.525 -6.208 1.00 0.55 H new ATOM 0 HG13 VAL A 64 -7.454 6.223 -4.995 1.00 0.55 H new ATOM 0 HG21 VAL A 64 -4.351 6.227 -4.791 1.00 0.63 H new ATOM 0 HG22 VAL A 64 -5.298 4.723 -4.877 1.00 0.63 H new ATOM 0 HG23 VAL A 64 -4.009 5.032 -6.065 1.00 0.63 H new ATOM 996 N PRO A 65 -5.168 5.443 -9.487 1.00 0.45 N ATOM 997 CA PRO A 65 -4.399 4.938 -10.624 1.00 0.49 C ATOM 998 C PRO A 65 -2.890 4.937 -10.378 1.00 0.42 C ATOM 999 O PRO A 65 -2.182 4.192 -11.049 1.00 0.43 O ATOM 1000 CB PRO A 65 -4.783 5.848 -11.793 1.00 0.55 C ATOM 1001 CG PRO A 65 -5.045 7.193 -11.120 1.00 0.52 C ATOM 1002 CD PRO A 65 -5.627 6.800 -9.763 1.00 0.46 C ATOM 0 HA PRO A 65 -4.633 3.891 -10.818 1.00 0.49 H new ATOM 0 HB2 PRO A 65 -3.982 5.916 -12.530 1.00 0.55 H new ATOM 0 HB3 PRO A 65 -5.666 5.481 -12.315 1.00 0.55 H new ATOM 0 HG2 PRO A 65 -4.129 7.774 -11.012 1.00 0.52 H new ATOM 0 HG3 PRO A 65 -5.742 7.802 -11.696 1.00 0.52 H new ATOM 0 HD2 PRO A 65 -5.293 7.487 -8.985 1.00 0.46 H new ATOM 0 HD3 PRO A 65 -6.716 6.844 -9.782 1.00 0.46 H new ATOM 1010 N PHE A 66 -2.404 5.751 -9.434 1.00 0.38 N ATOM 1011 CA PHE A 66 -0.988 5.849 -9.045 1.00 0.36 C ATOM 1012 C PHE A 66 -0.780 6.803 -7.863 1.00 0.37 C ATOM 1013 O PHE A 66 -1.617 7.664 -7.582 1.00 0.40 O ATOM 1014 CB PHE A 66 -0.087 6.303 -10.217 1.00 0.37 C ATOM 1015 CG PHE A 66 -0.387 7.703 -10.673 1.00 0.41 C ATOM 1016 CD1 PHE A 66 -1.421 7.911 -11.592 1.00 1.83 C ATOM 1017 CD2 PHE A 66 0.288 8.790 -10.096 1.00 2.03 C ATOM 1018 CE1 PHE A 66 -1.814 9.225 -11.912 1.00 1.86 C ATOM 1019 CE2 PHE A 66 -0.131 10.101 -10.376 1.00 2.07 C ATOM 1020 CZ PHE A 66 -1.180 10.320 -11.289 1.00 0.62 C ATOM 0 H PHE A 66 -3.003 6.381 -8.901 1.00 0.38 H new ATOM 0 HA PHE A 66 -0.699 4.841 -8.747 1.00 0.36 H new ATOM 0 HB2 PHE A 66 0.957 6.241 -9.912 1.00 0.37 H new ATOM 0 HB3 PHE A 66 -0.215 5.617 -11.055 1.00 0.37 H new ATOM 0 HD1 PHE A 66 -1.915 7.069 -12.053 1.00 1.83 H new ATOM 0 HD2 PHE A 66 1.127 8.619 -9.438 1.00 2.03 H new ATOM 0 HE1 PHE A 66 -2.600 9.394 -12.633 1.00 1.86 H new ATOM 0 HE2 PHE A 66 0.350 10.938 -9.892 1.00 2.07 H new ATOM 0 HZ PHE A 66 -1.499 11.327 -11.512 1.00 0.62 H new ATOM 1030 N LEU A 67 0.397 6.700 -7.240 1.00 0.38 N ATOM 1031 CA LEU A 67 0.976 7.690 -6.333 1.00 0.42 C ATOM 1032 C LEU A 67 2.186 8.364 -6.990 1.00 0.44 C ATOM 1033 O LEU A 67 2.836 7.784 -7.862 1.00 0.42 O ATOM 1034 CB LEU A 67 1.420 7.019 -5.016 1.00 0.46 C ATOM 1035 CG LEU A 67 0.381 6.131 -4.305 1.00 0.46 C ATOM 1036 CD1 LEU A 67 0.966 5.678 -2.964 1.00 0.55 C ATOM 1037 CD2 LEU A 67 -0.950 6.848 -4.061 1.00 0.49 C ATOM 0 H LEU A 67 0.999 5.885 -7.361 1.00 0.38 H new ATOM 0 HA LEU A 67 0.216 8.440 -6.115 1.00 0.42 H new ATOM 0 HB2 LEU A 67 2.301 6.411 -5.224 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.729 7.802 -4.323 1.00 0.46 H new ATOM 0 HG LEU A 67 0.169 5.282 -4.955 1.00 0.46 H new ATOM 0 HD11 LEU A 67 0.243 5.048 -2.446 1.00 0.55 H new ATOM 0 HD12 LEU A 67 1.881 5.112 -3.139 1.00 0.55 H new ATOM 0 HD13 LEU A 67 1.190 6.551 -2.351 1.00 0.55 H new ATOM 0 HD21 LEU A 67 -1.641 6.172 -3.557 1.00 0.49 H new ATOM 0 HD22 LEU A 67 -0.781 7.725 -3.437 1.00 0.49 H new ATOM 0 HD23 LEU A 67 -1.377 7.158 -5.015 1.00 0.49 H new ATOM 1049 N GLU A 68 2.520 9.567 -6.536 1.00 0.52 N ATOM 1050 CA GLU A 68 3.819 10.189 -6.796 1.00 0.71 C ATOM 1051 C GLU A 68 4.591 10.341 -5.487 1.00 0.85 C ATOM 1052 O GLU A 68 3.997 10.595 -4.440 1.00 0.89 O ATOM 1053 CB GLU A 68 3.674 11.542 -7.514 1.00 0.90 C ATOM 1054 CG GLU A 68 5.039 12.233 -7.709 1.00 1.26 C ATOM 1055 CD GLU A 68 5.134 12.933 -9.059 1.00 1.36 C ATOM 1056 OE1 GLU A 68 4.612 14.050 -9.222 1.00 2.75 O ATOM 1057 OE2 GLU A 68 5.640 12.287 -10.004 1.00 1.65 O ATOM 0 H GLU A 68 1.895 10.144 -5.973 1.00 0.52 H new ATOM 0 HA GLU A 68 4.380 9.537 -7.465 1.00 0.71 H new ATOM 0 HB2 GLU A 68 3.201 11.390 -8.484 1.00 0.90 H new ATOM 0 HB3 GLU A 68 3.016 12.192 -6.937 1.00 0.90 H new ATOM 0 HG2 GLU A 68 5.195 12.960 -6.912 1.00 1.26 H new ATOM 0 HG3 GLU A 68 5.835 11.493 -7.627 1.00 1.26 H new ATOM 1064 N VAL A 69 5.915 10.217 -5.585 1.00 0.98 N ATOM 1065 CA VAL A 69 6.879 10.630 -4.573 1.00 1.06 C ATOM 1066 C VAL A 69 7.867 11.633 -5.194 1.00 0.95 C ATOM 1067 O VAL A 69 8.464 11.314 -6.226 1.00 0.85 O ATOM 1068 CB VAL A 69 7.649 9.410 -4.003 1.00 1.06 C ATOM 1069 CG1 VAL A 69 8.440 9.769 -2.735 1.00 1.20 C ATOM 1070 CG2 VAL A 69 6.722 8.220 -3.702 1.00 1.32 C ATOM 0 H VAL A 69 6.360 9.809 -6.407 1.00 0.98 H new ATOM 0 HA VAL A 69 6.342 11.101 -3.750 1.00 1.06 H new ATOM 0 HB VAL A 69 8.349 9.115 -4.785 1.00 1.06 H new ATOM 0 HG11 VAL A 69 8.964 8.885 -2.370 1.00 1.20 H new ATOM 0 HG12 VAL A 69 9.164 10.550 -2.967 1.00 1.20 H new ATOM 0 HG13 VAL A 69 7.754 10.127 -1.967 1.00 1.20 H new ATOM 0 HG21 VAL A 69 7.310 7.392 -3.305 1.00 1.32 H new ATOM 0 HG22 VAL A 69 5.974 8.518 -2.968 1.00 1.32 H new ATOM 0 HG23 VAL A 69 6.225 7.905 -4.619 1.00 1.32 H new ATOM 1080 N PRO A 70 8.064 12.828 -4.598 1.00 1.06 N ATOM 1081 CA PRO A 70 9.006 13.829 -5.093 1.00 1.07 C ATOM 1082 C PRO A 70 10.456 13.334 -4.940 1.00 0.89 C ATOM 1083 O PRO A 70 10.685 12.361 -4.224 1.00 0.86 O ATOM 1084 CB PRO A 70 8.732 15.086 -4.256 1.00 1.32 C ATOM 1085 CG PRO A 70 8.251 14.521 -2.924 1.00 1.39 C ATOM 1086 CD PRO A 70 7.464 13.283 -3.349 1.00 1.32 C ATOM 0 HA PRO A 70 8.878 14.032 -6.156 1.00 1.07 H new ATOM 0 HB2 PRO A 70 9.629 15.693 -4.135 1.00 1.32 H new ATOM 0 HB3 PRO A 70 7.978 15.722 -4.720 1.00 1.32 H new ATOM 0 HG2 PRO A 70 9.083 14.266 -2.268 1.00 1.39 H new ATOM 0 HG3 PRO A 70 7.626 15.233 -2.384 1.00 1.39 H new ATOM 0 HD2 PRO A 70 7.518 12.507 -2.586 1.00 1.32 H new ATOM 0 HD3 PRO A 70 6.409 13.521 -3.488 1.00 1.32 H new ATOM 1094 N PRO A 71 11.440 13.975 -5.595 1.00 0.93 N ATOM 1095 CA PRO A 71 12.842 13.583 -5.504 1.00 0.83 C ATOM 1096 C PRO A 71 13.435 13.766 -4.105 1.00 0.83 C ATOM 1097 O PRO A 71 13.204 14.781 -3.448 1.00 0.96 O ATOM 1098 CB PRO A 71 13.573 14.419 -6.551 1.00 0.99 C ATOM 1099 CG PRO A 71 12.663 15.610 -6.819 1.00 1.18 C ATOM 1100 CD PRO A 71 11.271 15.043 -6.568 1.00 1.15 C ATOM 0 HA PRO A 71 12.950 12.515 -5.693 1.00 0.83 H new ATOM 0 HB2 PRO A 71 14.548 14.743 -6.186 1.00 0.99 H new ATOM 0 HB3 PRO A 71 13.748 13.845 -7.461 1.00 0.99 H new ATOM 0 HG2 PRO A 71 12.885 16.445 -6.154 1.00 1.18 H new ATOM 0 HG3 PRO A 71 12.771 15.978 -7.839 1.00 1.18 H new ATOM 0 HD2 PRO A 71 10.599 15.813 -6.189 1.00 1.15 H new ATOM 0 HD3 PRO A 71 10.832 14.664 -7.491 1.00 1.15 H new ATOM 1108 N LYS A 72 14.232 12.780 -3.674 1.00 0.83 N ATOM 1109 CA LYS A 72 15.105 12.836 -2.485 1.00 1.05 C ATOM 1110 C LYS A 72 14.374 13.078 -1.158 1.00 1.25 C ATOM 1111 O LYS A 72 14.916 13.605 -0.187 1.00 1.68 O ATOM 1112 CB LYS A 72 16.326 13.718 -2.782 1.00 1.47 C ATOM 1113 CG LYS A 72 16.982 13.154 -4.057 1.00 1.88 C ATOM 1114 CD LYS A 72 18.493 13.173 -4.038 1.00 1.48 C ATOM 1115 CE LYS A 72 19.020 14.589 -4.281 1.00 1.92 C ATOM 1116 NZ LYS A 72 20.341 14.566 -4.943 1.00 2.65 N ATOM 0 H LYS A 72 14.292 11.885 -4.160 1.00 0.83 H new ATOM 0 HA LYS A 72 15.497 11.837 -2.292 1.00 1.05 H new ATOM 0 HB2 LYS A 72 16.027 14.756 -2.928 1.00 1.47 H new ATOM 0 HB3 LYS A 72 17.027 13.702 -1.947 1.00 1.47 H new ATOM 0 HG2 LYS A 72 16.645 12.128 -4.202 1.00 1.88 H new ATOM 0 HG3 LYS A 72 16.634 13.728 -4.916 1.00 1.88 H new ATOM 0 HD2 LYS A 72 18.854 12.805 -3.078 1.00 1.48 H new ATOM 0 HD3 LYS A 72 18.880 12.500 -4.803 1.00 1.48 H new ATOM 0 HE2 LYS A 72 18.312 15.142 -4.898 1.00 1.92 H new ATOM 0 HE3 LYS A 72 19.096 15.119 -3.331 1.00 1.92 H new ATOM 0 HZ1 LYS A 72 20.542 15.502 -5.350 1.00 2.65 H new ATOM 0 HZ2 LYS A 72 21.075 14.327 -4.246 1.00 2.65 H new ATOM 0 HZ3 LYS A 72 20.338 13.853 -5.700 1.00 2.65 H new ATOM 1130 N GLY A 73 13.133 12.600 -1.133 1.00 1.31 N ATOM 1131 CA GLY A 73 12.193 12.593 0.000 1.00 1.59 C ATOM 1132 C GLY A 73 11.381 11.300 0.122 1.00 1.17 C ATOM 1133 O GLY A 73 11.537 10.392 -0.692 1.00 0.96 O ATOM 0 H GLY A 73 12.721 12.174 -1.963 1.00 1.31 H new ATOM 0 HA2 GLY A 73 12.751 12.749 0.923 1.00 1.59 H new ATOM 0 HA3 GLY A 73 11.507 13.433 -0.104 1.00 1.59 H new ATOM 1137 N ARG A 74 10.501 11.230 1.135 1.00 1.26 N ATOM 1138 CA ARG A 74 9.569 10.109 1.332 1.00 1.04 C ATOM 1139 C ARG A 74 8.099 10.511 1.140 1.00 1.28 C ATOM 1140 O ARG A 74 7.744 11.678 1.320 1.00 1.75 O ATOM 1141 CB ARG A 74 9.815 9.410 2.691 1.00 1.43 C ATOM 1142 CG ARG A 74 9.329 10.170 3.939 1.00 1.56 C ATOM 1143 CD ARG A 74 9.597 9.370 5.226 1.00 1.72 C ATOM 1144 NE ARG A 74 8.369 9.098 6.006 1.00 2.55 N ATOM 1145 CZ ARG A 74 8.309 8.304 7.075 1.00 3.12 C ATOM 1146 NH1 ARG A 74 9.364 7.674 7.527 1.00 3.28 N ATOM 1147 NH2 ARG A 74 7.186 8.116 7.726 1.00 4.43 N ATOM 0 H ARG A 74 10.417 11.957 1.846 1.00 1.26 H new ATOM 0 HA ARG A 74 9.778 9.383 0.546 1.00 1.04 H new ATOM 0 HB2 ARG A 74 9.326 8.436 2.670 1.00 1.43 H new ATOM 0 HB3 ARG A 74 10.885 9.227 2.795 1.00 1.43 H new ATOM 0 HG2 ARG A 74 9.832 11.135 3.998 1.00 1.56 H new ATOM 0 HG3 ARG A 74 8.262 10.372 3.851 1.00 1.56 H new ATOM 0 HD2 ARG A 74 10.073 8.424 4.967 1.00 1.72 H new ATOM 0 HD3 ARG A 74 10.302 9.921 5.849 1.00 1.72 H new ATOM 0 HE ARG A 74 7.506 9.551 5.704 1.00 2.55 H new ATOM 0 HH11 ARG A 74 10.263 7.784 7.059 1.00 3.28 H new ATOM 0 HH12 ARG A 74 9.287 7.073 8.348 1.00 3.28 H new ATOM 0 HH21 ARG A 74 6.333 8.582 7.417 1.00 4.43 H new ATOM 0 HH22 ARG A 74 7.166 7.503 8.541 1.00 4.43 H new ATOM 1161 N VAL A 75 7.261 9.521 0.825 1.00 1.32 N ATOM 1162 CA VAL A 75 5.787 9.563 0.925 1.00 1.88 C ATOM 1163 C VAL A 75 5.300 8.150 1.242 1.00 1.49 C ATOM 1164 O VAL A 75 5.495 7.228 0.457 1.00 1.57 O ATOM 1165 CB VAL A 75 5.078 10.067 -0.364 1.00 2.69 C ATOM 1166 CG1 VAL A 75 3.540 9.987 -0.227 1.00 3.31 C ATOM 1167 CG2 VAL A 75 5.414 11.527 -0.710 1.00 3.19 C ATOM 0 H VAL A 75 7.599 8.624 0.477 1.00 1.32 H new ATOM 0 HA VAL A 75 5.534 10.278 1.708 1.00 1.88 H new ATOM 0 HB VAL A 75 5.444 9.412 -1.155 1.00 2.69 H new ATOM 0 HG11 VAL A 75 3.074 10.346 -1.144 1.00 3.31 H new ATOM 0 HG12 VAL A 75 3.244 8.953 -0.050 1.00 3.31 H new ATOM 0 HG13 VAL A 75 3.217 10.605 0.611 1.00 3.31 H new ATOM 0 HG21 VAL A 75 4.887 11.816 -1.620 1.00 3.19 H new ATOM 0 HG22 VAL A 75 5.105 12.176 0.110 1.00 3.19 H new ATOM 0 HG23 VAL A 75 6.488 11.626 -0.866 1.00 3.19 H new ATOM 1177 N GLU A 76 4.674 7.973 2.402 1.00 1.31 N ATOM 1178 CA GLU A 76 4.150 6.675 2.833 1.00 0.95 C ATOM 1179 C GLU A 76 2.775 6.345 2.235 1.00 0.87 C ATOM 1180 O GLU A 76 1.960 7.232 1.959 1.00 1.15 O ATOM 1181 CB GLU A 76 4.019 6.578 4.365 1.00 1.19 C ATOM 1182 CG GLU A 76 5.232 7.025 5.173 1.00 1.51 C ATOM 1183 CD GLU A 76 5.236 8.519 5.453 1.00 1.80 C ATOM 1184 OE1 GLU A 76 5.733 9.269 4.589 1.00 2.88 O ATOM 1185 OE2 GLU A 76 4.826 8.909 6.564 1.00 2.42 O ATOM 0 H GLU A 76 4.514 8.725 3.073 1.00 1.31 H new ATOM 0 HA GLU A 76 4.884 5.958 2.467 1.00 0.95 H new ATOM 0 HB2 GLU A 76 3.162 7.176 4.674 1.00 1.19 H new ATOM 0 HB3 GLU A 76 3.796 5.543 4.625 1.00 1.19 H new ATOM 0 HG2 GLU A 76 5.253 6.483 6.118 1.00 1.51 H new ATOM 0 HG3 GLU A 76 6.141 6.759 4.633 1.00 1.51 H new ATOM 1192 N LEU A 77 2.454 5.047 2.210 1.00 0.65 N ATOM 1193 CA LEU A 77 1.082 4.540 2.267 1.00 0.67 C ATOM 1194 C LEU A 77 0.592 4.531 3.727 1.00 1.03 C ATOM 1195 O LEU A 77 0.336 3.493 4.335 1.00 2.04 O ATOM 1196 CB LEU A 77 0.965 3.179 1.555 1.00 0.60 C ATOM 1197 CG LEU A 77 1.104 3.269 0.020 1.00 0.59 C ATOM 1198 CD1 LEU A 77 2.553 3.092 -0.464 1.00 0.73 C ATOM 1199 CD2 LEU A 77 0.218 2.207 -0.641 1.00 0.79 C ATOM 0 H LEU A 77 3.154 4.308 2.148 1.00 0.65 H new ATOM 0 HA LEU A 77 0.416 5.206 1.719 1.00 0.67 H new ATOM 0 HB2 LEU A 77 1.733 2.509 1.942 1.00 0.60 H new ATOM 0 HB3 LEU A 77 0.001 2.733 1.798 1.00 0.60 H new ATOM 0 HG LEU A 77 0.787 4.271 -0.267 1.00 0.59 H new ATOM 0 HD11 LEU A 77 2.585 3.165 -1.551 1.00 0.73 H new ATOM 0 HD12 LEU A 77 3.180 3.871 -0.029 1.00 0.73 H new ATOM 0 HD13 LEU A 77 2.923 2.114 -0.155 1.00 0.73 H new ATOM 0 HD21 LEU A 77 0.318 2.273 -1.724 1.00 0.79 H new ATOM 0 HD22 LEU A 77 0.527 1.216 -0.308 1.00 0.79 H new ATOM 0 HD23 LEU A 77 -0.822 2.376 -0.362 1.00 0.79 H new ATOM 1211 N LYS A 78 0.526 5.722 4.328 1.00 1.02 N ATOM 1212 CA LYS A 78 -0.081 5.946 5.643 1.00 1.07 C ATOM 1213 C LYS A 78 -1.552 5.463 5.669 1.00 1.01 C ATOM 1214 O LYS A 78 -2.337 5.955 4.860 1.00 1.41 O ATOM 1215 CB LYS A 78 0.063 7.424 6.094 1.00 1.54 C ATOM 1216 CG LYS A 78 -0.549 8.555 5.226 1.00 1.48 C ATOM 1217 CD LYS A 78 0.133 8.659 3.857 1.00 2.20 C ATOM 1218 CE LYS A 78 -0.057 9.971 3.098 1.00 2.44 C ATOM 1219 NZ LYS A 78 0.715 9.908 1.831 1.00 3.67 N ATOM 0 H LYS A 78 0.899 6.573 3.907 1.00 1.02 H new ATOM 0 HA LYS A 78 0.465 5.345 6.370 1.00 1.07 H new ATOM 0 HB2 LYS A 78 -0.374 7.505 7.089 1.00 1.54 H new ATOM 0 HB3 LYS A 78 1.128 7.631 6.195 1.00 1.54 H new ATOM 0 HG2 LYS A 78 -1.614 8.370 5.088 1.00 1.48 H new ATOM 0 HG3 LYS A 78 -0.456 9.506 5.751 1.00 1.48 H new ATOM 0 HD2 LYS A 78 1.202 8.497 3.995 1.00 2.20 H new ATOM 0 HD3 LYS A 78 -0.234 7.846 3.230 1.00 2.20 H new ATOM 0 HE2 LYS A 78 -1.114 10.136 2.888 1.00 2.44 H new ATOM 0 HE3 LYS A 78 0.282 10.810 3.705 1.00 2.44 H new ATOM 0 HZ1 LYS A 78 1.420 10.672 1.816 1.00 3.67 H new ATOM 0 HZ2 LYS A 78 1.198 8.989 1.764 1.00 3.67 H new ATOM 0 HZ3 LYS A 78 0.068 10.018 1.024 1.00 3.67 H new ATOM 1233 N PRO A 79 -1.959 4.600 6.627 1.00 1.12 N ATOM 1234 CA PRO A 79 -3.237 3.884 6.603 1.00 1.51 C ATOM 1235 C PRO A 79 -4.459 4.796 6.512 1.00 1.51 C ATOM 1236 O PRO A 79 -5.383 4.484 5.760 1.00 2.55 O ATOM 1237 CB PRO A 79 -3.267 3.038 7.888 1.00 1.93 C ATOM 1238 CG PRO A 79 -2.248 3.710 8.801 1.00 1.80 C ATOM 1239 CD PRO A 79 -1.204 4.201 7.802 1.00 1.45 C ATOM 0 HA PRO A 79 -3.297 3.274 5.702 1.00 1.51 H new ATOM 0 HB2 PRO A 79 -4.260 3.030 8.337 1.00 1.93 H new ATOM 0 HB3 PRO A 79 -3.000 2.000 7.688 1.00 1.93 H new ATOM 0 HG2 PRO A 79 -2.687 4.530 9.369 1.00 1.80 H new ATOM 0 HG3 PRO A 79 -1.825 3.012 9.524 1.00 1.80 H new ATOM 0 HD2 PRO A 79 -0.634 5.038 8.207 1.00 1.45 H new ATOM 0 HD3 PRO A 79 -0.488 3.415 7.562 1.00 1.45 H new ATOM 1247 N GLY A 80 -4.450 5.940 7.211 1.00 0.99 N ATOM 1248 CA GLY A 80 -5.563 6.889 7.225 1.00 1.14 C ATOM 1249 C GLY A 80 -5.767 7.669 5.922 1.00 1.28 C ATOM 1250 O GLY A 80 -6.728 8.428 5.849 1.00 1.96 O ATOM 0 H GLY A 80 -3.660 6.232 7.787 1.00 0.99 H new ATOM 0 HA2 GLY A 80 -6.480 6.346 7.453 1.00 1.14 H new ATOM 0 HA3 GLY A 80 -5.404 7.600 8.035 1.00 1.14 H new ATOM 1254 N GLY A 81 -4.906 7.493 4.906 1.00 1.17 N ATOM 1255 CA GLY A 81 -5.108 8.084 3.572 1.00 1.16 C ATOM 1256 C GLY A 81 -4.728 7.252 2.351 1.00 1.25 C ATOM 1257 O GLY A 81 -5.277 7.500 1.289 1.00 2.41 O ATOM 0 H GLY A 81 -4.053 6.939 4.985 1.00 1.17 H new ATOM 0 HA2 GLY A 81 -6.162 8.348 3.481 1.00 1.16 H new ATOM 0 HA3 GLY A 81 -4.542 9.014 3.531 1.00 1.16 H new ATOM 1261 N TYR A 82 -3.820 6.280 2.446 1.00 0.68 N ATOM 1262 CA TYR A 82 -3.466 5.377 1.339 1.00 0.69 C ATOM 1263 C TYR A 82 -3.048 3.987 1.819 1.00 0.74 C ATOM 1264 O TYR A 82 -2.384 3.839 2.842 1.00 0.84 O ATOM 1265 CB TYR A 82 -2.336 5.963 0.487 1.00 0.75 C ATOM 1266 CG TYR A 82 -2.723 7.217 -0.260 1.00 0.74 C ATOM 1267 CD1 TYR A 82 -3.448 7.117 -1.463 1.00 1.68 C ATOM 1268 CD2 TYR A 82 -2.454 8.478 0.302 1.00 2.32 C ATOM 1269 CE1 TYR A 82 -3.913 8.278 -2.101 1.00 1.67 C ATOM 1270 CE2 TYR A 82 -2.927 9.642 -0.326 1.00 2.35 C ATOM 1271 CZ TYR A 82 -3.664 9.545 -1.529 1.00 0.80 C ATOM 1272 OH TYR A 82 -4.161 10.671 -2.107 1.00 0.86 O ATOM 0 H TYR A 82 -3.300 6.091 3.303 1.00 0.68 H new ATOM 0 HA TYR A 82 -4.371 5.275 0.740 1.00 0.69 H new ATOM 0 HB2 TYR A 82 -1.485 6.183 1.131 1.00 0.75 H new ATOM 0 HB3 TYR A 82 -2.007 5.211 -0.230 1.00 0.75 H new ATOM 0 HD1 TYR A 82 -3.646 6.147 -1.895 1.00 1.68 H new ATOM 0 HD2 TYR A 82 -1.884 8.551 1.216 1.00 2.32 H new ATOM 0 HE1 TYR A 82 -4.461 8.202 -3.029 1.00 1.67 H new ATOM 0 HE2 TYR A 82 -2.728 10.610 0.109 1.00 2.35 H new ATOM 0 HH TYR A 82 -3.894 11.454 -1.581 1.00 0.86 H new ATOM 1282 N HIS A 83 -3.424 2.969 1.054 1.00 0.70 N ATOM 1283 CA HIS A 83 -3.032 1.576 1.268 1.00 0.67 C ATOM 1284 C HIS A 83 -3.216 0.752 -0.011 1.00 0.63 C ATOM 1285 O HIS A 83 -4.092 1.055 -0.819 1.00 0.68 O ATOM 1286 CB HIS A 83 -3.827 0.983 2.437 1.00 0.69 C ATOM 1287 CG HIS A 83 -5.318 0.973 2.228 1.00 0.69 C ATOM 1288 ND1 HIS A 83 -6.137 2.080 2.201 1.00 0.60 N ATOM 1289 CD2 HIS A 83 -6.087 -0.112 1.896 1.00 0.79 C ATOM 1290 CE1 HIS A 83 -7.355 1.688 1.823 1.00 0.61 C ATOM 1291 NE2 HIS A 83 -7.380 0.357 1.648 1.00 0.72 N ATOM 0 H HIS A 83 -4.029 3.091 0.242 1.00 0.70 H new ATOM 0 HA HIS A 83 -1.973 1.544 1.523 1.00 0.67 H new ATOM 0 HB2 HIS A 83 -3.489 -0.039 2.610 1.00 0.69 H new ATOM 0 HB3 HIS A 83 -3.602 1.551 3.340 1.00 0.69 H new ATOM 0 HD2 HIS A 83 -5.755 -1.138 1.837 1.00 0.79 H new ATOM 0 HE1 HIS A 83 -8.199 2.346 1.679 1.00 0.61 H new ATOM 0 HE2 HIS A 83 -8.189 -0.205 1.384 1.00 0.72 H new ATOM 1299 N PHE A 84 -2.463 -0.335 -0.159 1.00 0.56 N ATOM 1300 CA PHE A 84 -2.846 -1.375 -1.112 1.00 0.59 C ATOM 1301 C PHE A 84 -3.971 -2.218 -0.494 1.00 0.66 C ATOM 1302 O PHE A 84 -3.992 -2.415 0.723 1.00 0.94 O ATOM 1303 CB PHE A 84 -1.640 -2.259 -1.437 1.00 0.64 C ATOM 1304 CG PHE A 84 -0.565 -1.583 -2.258 1.00 0.67 C ATOM 1305 CD1 PHE A 84 -0.728 -1.457 -3.650 1.00 1.68 C ATOM 1306 CD2 PHE A 84 0.610 -1.112 -1.642 1.00 2.30 C ATOM 1307 CE1 PHE A 84 0.293 -0.894 -4.430 1.00 1.68 C ATOM 1308 CE2 PHE A 84 1.633 -0.553 -2.425 1.00 2.42 C ATOM 1309 CZ PHE A 84 1.478 -0.459 -3.815 1.00 1.01 C ATOM 0 H PHE A 84 -1.602 -0.518 0.356 1.00 0.56 H new ATOM 0 HA PHE A 84 -3.195 -0.918 -2.038 1.00 0.59 H new ATOM 0 HB2 PHE A 84 -1.200 -2.607 -0.503 1.00 0.64 H new ATOM 0 HB3 PHE A 84 -1.988 -3.141 -1.974 1.00 0.64 H new ATOM 0 HD1 PHE A 84 -1.641 -1.794 -4.119 1.00 1.68 H new ATOM 0 HD2 PHE A 84 0.724 -1.180 -0.570 1.00 2.30 H new ATOM 0 HE1 PHE A 84 0.168 -0.796 -5.498 1.00 1.68 H new ATOM 0 HE2 PHE A 84 2.538 -0.196 -1.957 1.00 2.42 H new ATOM 0 HZ PHE A 84 2.275 -0.049 -4.417 1.00 1.01 H new ATOM 1319 N MET A 85 -4.858 -2.776 -1.321 1.00 0.51 N ATOM 1320 CA MET A 85 -5.826 -3.828 -0.979 1.00 0.57 C ATOM 1321 C MET A 85 -5.317 -5.125 -1.623 1.00 0.58 C ATOM 1322 O MET A 85 -5.200 -5.180 -2.844 1.00 0.64 O ATOM 1323 CB MET A 85 -7.209 -3.453 -1.518 1.00 0.61 C ATOM 1324 CG MET A 85 -8.378 -4.081 -0.740 1.00 0.68 C ATOM 1325 SD MET A 85 -9.096 -3.102 0.630 1.00 0.82 S ATOM 1326 CE MET A 85 -8.482 -4.036 2.054 1.00 1.00 C ATOM 0 H MET A 85 -4.926 -2.494 -2.299 1.00 0.51 H new ATOM 0 HA MET A 85 -5.919 -3.952 0.100 1.00 0.57 H new ATOM 0 HB2 MET A 85 -7.314 -2.368 -1.497 1.00 0.61 H new ATOM 0 HB3 MET A 85 -7.275 -3.759 -2.562 1.00 0.61 H new ATOM 0 HG2 MET A 85 -9.175 -4.303 -1.450 1.00 0.68 H new ATOM 0 HG3 MET A 85 -8.039 -5.034 -0.333 1.00 0.68 H new ATOM 0 HE1 MET A 85 -8.931 -3.645 2.967 1.00 1.00 H new ATOM 0 HE2 MET A 85 -8.747 -5.087 1.941 1.00 1.00 H new ATOM 0 HE3 MET A 85 -7.398 -3.939 2.113 1.00 1.00 H new ATOM 1336 N LEU A 86 -4.943 -6.142 -0.845 1.00 0.61 N ATOM 1337 CA LEU A 86 -4.326 -7.384 -1.339 1.00 0.59 C ATOM 1338 C LEU A 86 -5.415 -8.446 -1.493 1.00 0.56 C ATOM 1339 O LEU A 86 -6.073 -8.752 -0.502 1.00 0.60 O ATOM 1340 CB LEU A 86 -3.248 -7.863 -0.344 1.00 0.60 C ATOM 1341 CG LEU A 86 -1.857 -7.214 -0.490 1.00 0.62 C ATOM 1342 CD1 LEU A 86 -1.862 -5.696 -0.282 1.00 0.99 C ATOM 1343 CD2 LEU A 86 -0.902 -7.849 0.534 1.00 1.30 C ATOM 0 H LEU A 86 -5.061 -6.130 0.168 1.00 0.61 H new ATOM 0 HA LEU A 86 -3.851 -7.207 -2.304 1.00 0.59 H new ATOM 0 HB2 LEU A 86 -3.608 -7.679 0.668 1.00 0.60 H new ATOM 0 HB3 LEU A 86 -3.137 -8.942 -0.451 1.00 0.60 H new ATOM 0 HG LEU A 86 -1.532 -7.393 -1.515 1.00 0.62 H new ATOM 0 HD11 LEU A 86 -0.850 -5.309 -0.400 1.00 0.99 H new ATOM 0 HD12 LEU A 86 -2.517 -5.230 -1.019 1.00 0.99 H new ATOM 0 HD13 LEU A 86 -2.223 -5.467 0.721 1.00 0.99 H new ATOM 0 HD21 LEU A 86 0.085 -7.397 0.440 1.00 1.30 H new ATOM 0 HD22 LEU A 86 -1.284 -7.680 1.541 1.00 1.30 H new ATOM 0 HD23 LEU A 86 -0.830 -8.921 0.348 1.00 1.30 H new ATOM 1355 N LEU A 87 -5.623 -8.987 -2.700 1.00 0.61 N ATOM 1356 CA LEU A 87 -6.790 -9.818 -3.040 1.00 0.58 C ATOM 1357 C LEU A 87 -6.402 -11.254 -3.417 1.00 0.57 C ATOM 1358 O LEU A 87 -5.457 -11.485 -4.173 1.00 0.61 O ATOM 1359 CB LEU A 87 -7.571 -9.165 -4.201 1.00 0.71 C ATOM 1360 CG LEU A 87 -8.685 -8.202 -3.748 1.00 0.85 C ATOM 1361 CD1 LEU A 87 -8.160 -6.924 -3.086 1.00 1.84 C ATOM 1362 CD2 LEU A 87 -9.557 -7.816 -4.947 1.00 1.83 C ATOM 0 H LEU A 87 -4.978 -8.859 -3.480 1.00 0.61 H new ATOM 0 HA LEU A 87 -7.416 -9.878 -2.150 1.00 0.58 H new ATOM 0 HB2 LEU A 87 -6.871 -8.621 -4.835 1.00 0.71 H new ATOM 0 HB3 LEU A 87 -8.012 -9.950 -4.815 1.00 0.71 H new ATOM 0 HG LEU A 87 -9.264 -8.739 -2.997 1.00 0.85 H new ATOM 0 HD11 LEU A 87 -9.000 -6.294 -2.793 1.00 1.84 H new ATOM 0 HD12 LEU A 87 -7.577 -7.185 -2.203 1.00 1.84 H new ATOM 0 HD13 LEU A 87 -7.529 -6.382 -3.790 1.00 1.84 H new ATOM 0 HD21 LEU A 87 -10.343 -7.135 -4.621 1.00 1.83 H new ATOM 0 HD22 LEU A 87 -8.942 -7.326 -5.701 1.00 1.83 H new ATOM 0 HD23 LEU A 87 -10.007 -8.713 -5.373 1.00 1.83 H new ATOM 1374 N GLY A 88 -7.174 -12.230 -2.933 1.00 0.61 N ATOM 1375 CA GLY A 88 -7.018 -13.638 -3.338 1.00 0.65 C ATOM 1376 C GLY A 88 -5.809 -14.295 -2.673 1.00 0.76 C ATOM 1377 O GLY A 88 -4.947 -14.855 -3.348 1.00 1.56 O ATOM 0 H GLY A 88 -7.920 -12.074 -2.255 1.00 0.61 H new ATOM 0 HA2 GLY A 88 -7.920 -14.192 -3.078 1.00 0.65 H new ATOM 0 HA3 GLY A 88 -6.911 -13.694 -4.421 1.00 0.65 H new ATOM 1381 N LEU A 89 -5.723 -14.133 -1.352 1.00 0.68 N ATOM 1382 CA LEU A 89 -4.644 -14.590 -0.479 1.00 0.73 C ATOM 1383 C LEU A 89 -4.227 -16.035 -0.666 1.00 0.82 C ATOM 1384 O LEU A 89 -4.992 -16.898 -1.087 1.00 0.95 O ATOM 1385 CB LEU A 89 -4.948 -14.360 1.005 1.00 0.76 C ATOM 1386 CG LEU A 89 -5.617 -13.021 1.375 1.00 0.74 C ATOM 1387 CD1 LEU A 89 -5.675 -12.962 2.901 1.00 0.84 C ATOM 1388 CD2 LEU A 89 -4.869 -11.787 0.847 1.00 0.71 C ATOM 0 H LEU A 89 -6.453 -13.647 -0.831 1.00 0.68 H new ATOM 0 HA LEU A 89 -3.806 -13.968 -0.793 1.00 0.73 H new ATOM 0 HB2 LEU A 89 -5.592 -15.169 1.350 1.00 0.76 H new ATOM 0 HB3 LEU A 89 -4.013 -14.438 1.560 1.00 0.76 H new ATOM 0 HG LEU A 89 -6.603 -12.991 0.911 1.00 0.74 H new ATOM 0 HD11 LEU A 89 -6.143 -12.028 3.211 1.00 0.84 H new ATOM 0 HD12 LEU A 89 -6.259 -13.802 3.276 1.00 0.84 H new ATOM 0 HD13 LEU A 89 -4.664 -13.014 3.306 1.00 0.84 H new ATOM 0 HD21 LEU A 89 -5.400 -10.884 1.147 1.00 0.71 H new ATOM 0 HD22 LEU A 89 -3.860 -11.769 1.259 1.00 0.71 H new ATOM 0 HD23 LEU A 89 -4.816 -11.832 -0.241 1.00 0.71 H new ATOM 1400 N LYS A 90 -2.975 -16.279 -0.289 1.00 0.82 N ATOM 1401 CA LYS A 90 -2.327 -17.573 -0.517 1.00 0.82 C ATOM 1402 C LYS A 90 -1.912 -18.288 0.767 1.00 0.88 C ATOM 1403 O LYS A 90 -1.912 -19.513 0.834 1.00 1.02 O ATOM 1404 CB LYS A 90 -1.116 -17.383 -1.429 1.00 0.82 C ATOM 1405 CG LYS A 90 -1.358 -16.541 -2.701 1.00 0.85 C ATOM 1406 CD LYS A 90 -2.386 -17.232 -3.587 1.00 1.28 C ATOM 1407 CE LYS A 90 -2.660 -16.574 -4.945 1.00 1.37 C ATOM 1408 NZ LYS A 90 -1.426 -16.308 -5.723 1.00 2.11 N ATOM 0 H LYS A 90 -2.383 -15.593 0.180 1.00 0.82 H new ATOM 0 HA LYS A 90 -3.068 -18.215 -0.993 1.00 0.82 H new ATOM 0 HB2 LYS A 90 -0.320 -16.913 -0.851 1.00 0.82 H new ATOM 0 HB3 LYS A 90 -0.754 -18.366 -1.730 1.00 0.82 H new ATOM 0 HG2 LYS A 90 -1.709 -15.546 -2.428 1.00 0.85 H new ATOM 0 HG3 LYS A 90 -0.423 -16.411 -3.246 1.00 0.85 H new ATOM 0 HD2 LYS A 90 -2.054 -18.255 -3.763 1.00 1.28 H new ATOM 0 HD3 LYS A 90 -3.326 -17.291 -3.039 1.00 1.28 H new ATOM 0 HE2 LYS A 90 -3.318 -17.219 -5.528 1.00 1.37 H new ATOM 0 HE3 LYS A 90 -3.192 -15.636 -4.787 1.00 1.37 H new ATOM 0 HZ1 LYS A 90 -1.639 -16.357 -6.740 1.00 2.11 H new ATOM 0 HZ2 LYS A 90 -1.066 -15.360 -5.490 1.00 2.11 H new ATOM 0 HZ3 LYS A 90 -0.706 -17.020 -5.485 1.00 2.11 H new ATOM 1422 N ARG A 91 -1.572 -17.493 1.780 1.00 0.86 N ATOM 1423 CA ARG A 91 -1.328 -17.925 3.149 1.00 0.95 C ATOM 1424 C ARG A 91 -2.347 -17.218 4.049 1.00 1.00 C ATOM 1425 O ARG A 91 -2.481 -16.002 3.901 1.00 1.06 O ATOM 1426 CB ARG A 91 0.079 -17.499 3.585 1.00 1.07 C ATOM 1427 CG ARG A 91 1.202 -18.261 2.860 1.00 1.47 C ATOM 1428 CD ARG A 91 2.590 -17.815 3.346 1.00 1.99 C ATOM 1429 NE ARG A 91 2.941 -18.382 4.664 1.00 2.66 N ATOM 1430 CZ ARG A 91 2.816 -17.801 5.855 1.00 3.82 C ATOM 1431 NH1 ARG A 91 2.375 -16.572 6.002 1.00 4.99 N ATOM 1432 NH2 ARG A 91 3.127 -18.465 6.944 1.00 4.76 N ATOM 0 H ARG A 91 -1.455 -16.487 1.660 1.00 0.86 H new ATOM 0 HA ARG A 91 -1.417 -19.009 3.221 1.00 0.95 H new ATOM 0 HB2 ARG A 91 0.199 -16.431 3.404 1.00 1.07 H new ATOM 0 HB3 ARG A 91 0.180 -17.653 4.659 1.00 1.07 H new ATOM 0 HG2 ARG A 91 1.083 -19.332 3.027 1.00 1.47 H new ATOM 0 HG3 ARG A 91 1.121 -18.095 1.786 1.00 1.47 H new ATOM 0 HD2 ARG A 91 3.340 -18.115 2.614 1.00 1.99 H new ATOM 0 HD3 ARG A 91 2.618 -16.727 3.404 1.00 1.99 H new ATOM 0 HE ARG A 91 3.323 -19.328 4.661 1.00 2.66 H new ATOM 0 HH11 ARG A 91 2.112 -16.023 5.183 1.00 4.99 H new ATOM 0 HH12 ARG A 91 2.295 -16.167 6.935 1.00 4.99 H new ATOM 0 HH21 ARG A 91 3.464 -19.425 6.877 1.00 4.76 H new ATOM 0 HH22 ARG A 91 3.032 -18.021 7.857 1.00 4.76 H new ATOM 1446 N PRO A 92 -3.014 -17.903 4.996 1.00 1.10 N ATOM 1447 CA PRO A 92 -3.706 -17.222 6.075 1.00 1.25 C ATOM 1448 C PRO A 92 -2.634 -16.621 6.991 1.00 1.37 C ATOM 1449 O PRO A 92 -1.867 -17.356 7.611 1.00 1.75 O ATOM 1450 CB PRO A 92 -4.563 -18.300 6.746 1.00 1.39 C ATOM 1451 CG PRO A 92 -3.792 -19.597 6.491 1.00 1.41 C ATOM 1452 CD PRO A 92 -3.081 -19.349 5.158 1.00 1.19 C ATOM 0 HA PRO A 92 -4.354 -16.401 5.768 1.00 1.25 H new ATOM 0 HB2 PRO A 92 -4.682 -18.109 7.813 1.00 1.39 H new ATOM 0 HB3 PRO A 92 -5.564 -18.339 6.316 1.00 1.39 H new ATOM 0 HG2 PRO A 92 -3.080 -19.802 7.291 1.00 1.41 H new ATOM 0 HG3 PRO A 92 -4.462 -20.455 6.433 1.00 1.41 H new ATOM 0 HD2 PRO A 92 -2.083 -19.787 5.162 1.00 1.19 H new ATOM 0 HD3 PRO A 92 -3.627 -19.808 4.334 1.00 1.19 H new ATOM 1460 N LEU A 93 -2.568 -15.287 7.042 1.00 1.25 N ATOM 1461 CA LEU A 93 -1.542 -14.521 7.765 1.00 1.33 C ATOM 1462 C LEU A 93 -1.480 -14.854 9.265 1.00 1.73 C ATOM 1463 O LEU A 93 -2.489 -15.244 9.860 1.00 2.53 O ATOM 1464 CB LEU A 93 -1.833 -13.012 7.565 1.00 1.79 C ATOM 1465 CG LEU A 93 -1.477 -12.366 6.203 1.00 1.35 C ATOM 1466 CD1 LEU A 93 -0.140 -12.850 5.620 1.00 2.12 C ATOM 1467 CD2 LEU A 93 -2.592 -12.547 5.164 1.00 1.65 C ATOM 0 H LEU A 93 -3.246 -14.690 6.568 1.00 1.25 H new ATOM 0 HA LEU A 93 -0.569 -14.793 7.357 1.00 1.33 H new ATOM 0 HB2 LEU A 93 -2.897 -12.853 7.739 1.00 1.79 H new ATOM 0 HB3 LEU A 93 -1.298 -12.465 8.341 1.00 1.79 H new ATOM 0 HG LEU A 93 -1.369 -11.304 6.424 1.00 1.35 H new ATOM 0 HD11 LEU A 93 0.042 -12.354 4.666 1.00 2.12 H new ATOM 0 HD12 LEU A 93 0.667 -12.611 6.313 1.00 2.12 H new ATOM 0 HD13 LEU A 93 -0.179 -13.928 5.467 1.00 2.12 H new ATOM 0 HD21 LEU A 93 -2.295 -12.077 4.226 1.00 1.65 H new ATOM 0 HD22 LEU A 93 -2.766 -13.610 4.998 1.00 1.65 H new ATOM 0 HD23 LEU A 93 -3.508 -12.082 5.529 1.00 1.65 H new ATOM 1479 N LYS A 94 -0.317 -14.666 9.900 1.00 1.45 N ATOM 1480 CA LYS A 94 -0.149 -14.588 11.362 1.00 1.72 C ATOM 1481 C LYS A 94 0.687 -13.392 11.819 1.00 1.59 C ATOM 1482 O LYS A 94 1.658 -12.969 11.201 1.00 2.03 O ATOM 1483 CB LYS A 94 0.496 -15.850 11.963 1.00 2.16 C ATOM 1484 CG LYS A 94 -0.223 -17.151 11.641 1.00 1.94 C ATOM 1485 CD LYS A 94 -1.629 -17.232 12.247 1.00 2.37 C ATOM 1486 CE LYS A 94 -2.458 -18.344 11.595 1.00 3.63 C ATOM 1487 NZ LYS A 94 -2.761 -18.012 10.181 1.00 4.79 N ATOM 0 H LYS A 94 0.564 -14.560 9.397 1.00 1.45 H new ATOM 0 HA LYS A 94 -1.171 -14.479 11.725 1.00 1.72 H new ATOM 0 HB2 LYS A 94 1.523 -15.921 11.605 1.00 2.16 H new ATOM 0 HB3 LYS A 94 0.543 -15.736 13.046 1.00 2.16 H new ATOM 0 HG2 LYS A 94 -0.294 -17.261 10.559 1.00 1.94 H new ATOM 0 HG3 LYS A 94 0.372 -17.987 12.008 1.00 1.94 H new ATOM 0 HD2 LYS A 94 -1.554 -17.413 13.319 1.00 2.37 H new ATOM 0 HD3 LYS A 94 -2.137 -16.276 12.120 1.00 2.37 H new ATOM 0 HE2 LYS A 94 -1.913 -19.287 11.644 1.00 3.63 H new ATOM 0 HE3 LYS A 94 -3.387 -18.484 12.148 1.00 3.63 H new ATOM 0 HZ1 LYS A 94 -3.644 -18.482 9.896 1.00 4.79 H new ATOM 0 HZ2 LYS A 94 -2.869 -16.982 10.082 1.00 4.79 H new ATOM 0 HZ3 LYS A 94 -1.983 -18.339 9.573 1.00 4.79 H new ATOM 1501 N ALA A 95 0.312 -12.899 12.993 1.00 1.41 N ATOM 1502 CA ALA A 95 0.980 -11.762 13.625 1.00 1.20 C ATOM 1503 C ALA A 95 2.345 -12.193 14.189 1.00 1.22 C ATOM 1504 O ALA A 95 2.400 -12.984 15.130 1.00 1.59 O ATOM 1505 CB ALA A 95 0.051 -11.158 14.686 1.00 1.19 C ATOM 0 H ALA A 95 -0.465 -13.275 13.537 1.00 1.41 H new ATOM 0 HA ALA A 95 1.185 -10.983 12.891 1.00 1.20 H new ATOM 0 HB1 ALA A 95 0.544 -10.310 15.161 1.00 1.19 H new ATOM 0 HB2 ALA A 95 -0.872 -10.823 14.213 1.00 1.19 H new ATOM 0 HB3 ALA A 95 -0.180 -11.912 15.439 1.00 1.19 H new ATOM 1511 N GLY A 96 3.425 -11.676 13.590 1.00 1.13 N ATOM 1512 CA GLY A 96 4.817 -12.060 13.868 1.00 1.21 C ATOM 1513 C GLY A 96 5.570 -12.696 12.694 1.00 1.30 C ATOM 1514 O GLY A 96 6.736 -13.024 12.870 1.00 1.64 O ATOM 0 H GLY A 96 3.353 -10.954 12.873 1.00 1.13 H new ATOM 0 HA2 GLY A 96 5.363 -11.174 14.191 1.00 1.21 H new ATOM 0 HA3 GLY A 96 4.823 -12.760 14.704 1.00 1.21 H new ATOM 1518 N GLU A 97 4.941 -12.872 11.526 1.00 1.29 N ATOM 1519 CA GLU A 97 5.607 -13.282 10.280 1.00 1.32 C ATOM 1520 C GLU A 97 6.158 -12.048 9.534 1.00 1.14 C ATOM 1521 O GLU A 97 5.988 -10.906 9.977 1.00 1.05 O ATOM 1522 CB GLU A 97 4.612 -14.042 9.376 1.00 1.47 C ATOM 1523 CG GLU A 97 3.916 -15.233 10.065 1.00 1.76 C ATOM 1524 CD GLU A 97 2.849 -15.918 9.203 1.00 1.28 C ATOM 1525 OE1 GLU A 97 2.140 -15.257 8.411 1.00 1.98 O ATOM 1526 OE2 GLU A 97 2.695 -17.154 9.297 1.00 2.35 O ATOM 0 H GLU A 97 3.937 -12.731 11.416 1.00 1.29 H new ATOM 0 HA GLU A 97 6.439 -13.941 10.529 1.00 1.32 H new ATOM 0 HB2 GLU A 97 3.851 -13.345 9.025 1.00 1.47 H new ATOM 0 HB3 GLU A 97 5.142 -14.405 8.496 1.00 1.47 H new ATOM 0 HG2 GLU A 97 4.670 -15.969 10.344 1.00 1.76 H new ATOM 0 HG3 GLU A 97 3.453 -14.885 10.989 1.00 1.76 H new ATOM 1533 N GLU A 98 6.725 -12.250 8.346 1.00 1.11 N ATOM 1534 CA GLU A 98 7.154 -11.254 7.393 1.00 0.96 C ATOM 1535 C GLU A 98 6.857 -11.782 5.988 1.00 1.00 C ATOM 1536 O GLU A 98 6.879 -12.979 5.718 1.00 1.22 O ATOM 1537 CB GLU A 98 8.630 -10.832 7.581 1.00 0.98 C ATOM 1538 CG GLU A 98 9.730 -11.787 7.075 1.00 2.19 C ATOM 1539 CD GLU A 98 10.085 -12.904 8.061 1.00 3.08 C ATOM 1540 OE1 GLU A 98 9.220 -13.780 8.289 1.00 4.34 O ATOM 1541 OE2 GLU A 98 11.228 -12.872 8.570 1.00 3.60 O ATOM 0 H GLU A 98 6.906 -13.195 8.007 1.00 1.11 H new ATOM 0 HA GLU A 98 6.595 -10.333 7.558 1.00 0.96 H new ATOM 0 HB2 GLU A 98 8.768 -9.872 7.084 1.00 0.98 H new ATOM 0 HB3 GLU A 98 8.796 -10.667 8.645 1.00 0.98 H new ATOM 0 HG2 GLU A 98 9.405 -12.235 6.136 1.00 2.19 H new ATOM 0 HG3 GLU A 98 10.628 -11.208 6.858 1.00 2.19 H new ATOM 1548 N VAL A 99 6.518 -10.862 5.103 1.00 0.85 N ATOM 1549 CA VAL A 99 6.184 -11.112 3.689 1.00 0.92 C ATOM 1550 C VAL A 99 6.659 -9.967 2.787 1.00 0.70 C ATOM 1551 O VAL A 99 6.591 -8.795 3.151 1.00 0.73 O ATOM 1552 CB VAL A 99 4.670 -11.353 3.481 1.00 1.28 C ATOM 1553 CG1 VAL A 99 4.414 -11.834 2.043 1.00 1.71 C ATOM 1554 CG2 VAL A 99 4.052 -12.404 4.423 1.00 1.47 C ATOM 0 H VAL A 99 6.462 -9.874 5.348 1.00 0.85 H new ATOM 0 HA VAL A 99 6.713 -12.022 3.406 1.00 0.92 H new ATOM 0 HB VAL A 99 4.200 -10.394 3.697 1.00 1.28 H new ATOM 0 HG11 VAL A 99 3.347 -12.003 1.900 1.00 1.71 H new ATOM 0 HG12 VAL A 99 4.759 -11.077 1.339 1.00 1.71 H new ATOM 0 HG13 VAL A 99 4.955 -12.764 1.869 1.00 1.71 H new ATOM 0 HG21 VAL A 99 2.989 -12.507 4.206 1.00 1.47 H new ATOM 0 HG22 VAL A 99 4.548 -13.363 4.273 1.00 1.47 H new ATOM 0 HG23 VAL A 99 4.182 -12.086 5.458 1.00 1.47 H new ATOM 1564 N GLU A 100 7.140 -10.322 1.593 1.00 0.72 N ATOM 1565 CA GLU A 100 7.618 -9.364 0.598 1.00 0.61 C ATOM 1566 C GLU A 100 6.536 -8.843 -0.363 1.00 0.63 C ATOM 1567 O GLU A 100 5.443 -9.403 -0.508 1.00 0.68 O ATOM 1568 CB GLU A 100 8.838 -9.925 -0.148 1.00 0.71 C ATOM 1569 CG GLU A 100 8.557 -11.160 -1.015 1.00 1.43 C ATOM 1570 CD GLU A 100 9.779 -11.482 -1.867 1.00 1.46 C ATOM 1571 OE1 GLU A 100 10.908 -11.463 -1.331 1.00 2.25 O ATOM 1572 OE2 GLU A 100 9.652 -11.668 -3.097 1.00 2.51 O ATOM 0 H GLU A 100 7.208 -11.293 1.289 1.00 0.72 H new ATOM 0 HA GLU A 100 7.925 -8.479 1.156 1.00 0.61 H new ATOM 0 HB2 GLU A 100 9.249 -9.140 -0.783 1.00 0.71 H new ATOM 0 HB3 GLU A 100 9.606 -10.180 0.582 1.00 0.71 H new ATOM 0 HG2 GLU A 100 8.309 -12.012 -0.381 1.00 1.43 H new ATOM 0 HG3 GLU A 100 7.694 -10.977 -1.655 1.00 1.43 H new ATOM 1579 N LEU A 101 6.885 -7.748 -1.042 1.00 0.79 N ATOM 1580 CA LEU A 101 6.067 -7.084 -2.050 1.00 0.77 C ATOM 1581 C LEU A 101 6.945 -6.293 -3.034 1.00 0.56 C ATOM 1582 O LEU A 101 7.873 -5.584 -2.639 1.00 0.55 O ATOM 1583 CB LEU A 101 4.958 -6.285 -1.326 1.00 1.11 C ATOM 1584 CG LEU A 101 4.147 -5.249 -2.125 1.00 1.26 C ATOM 1585 CD1 LEU A 101 2.734 -5.119 -1.527 1.00 1.85 C ATOM 1586 CD2 LEU A 101 4.813 -3.871 -2.086 1.00 2.60 C ATOM 0 H LEU A 101 7.782 -7.284 -0.896 1.00 0.79 H new ATOM 0 HA LEU A 101 5.553 -7.797 -2.694 1.00 0.77 H new ATOM 0 HB2 LEU A 101 4.253 -7.004 -0.907 1.00 1.11 H new ATOM 0 HB3 LEU A 101 5.420 -5.766 -0.486 1.00 1.11 H new ATOM 0 HG LEU A 101 4.098 -5.594 -3.158 1.00 1.26 H new ATOM 0 HD11 LEU A 101 2.164 -4.385 -2.096 1.00 1.85 H new ATOM 0 HD12 LEU A 101 2.229 -6.084 -1.572 1.00 1.85 H new ATOM 0 HD13 LEU A 101 2.807 -4.796 -0.488 1.00 1.85 H new ATOM 0 HD21 LEU A 101 4.216 -3.162 -2.659 1.00 2.60 H new ATOM 0 HD22 LEU A 101 4.886 -3.531 -1.053 1.00 2.60 H new ATOM 0 HD23 LEU A 101 5.812 -3.937 -2.518 1.00 2.60 H new ATOM 1598 N ASP A 102 6.640 -6.457 -4.320 1.00 0.64 N ATOM 1599 CA ASP A 102 7.141 -5.685 -5.461 1.00 0.57 C ATOM 1600 C ASP A 102 6.396 -4.351 -5.575 1.00 0.56 C ATOM 1601 O ASP A 102 5.226 -4.237 -5.206 1.00 0.85 O ATOM 1602 CB ASP A 102 6.888 -6.448 -6.767 1.00 0.66 C ATOM 1603 CG ASP A 102 7.613 -7.782 -6.915 1.00 1.01 C ATOM 1604 OD1 ASP A 102 8.768 -7.800 -7.388 1.00 1.82 O ATOM 1605 OD2 ASP A 102 6.952 -8.824 -6.698 1.00 1.97 O ATOM 0 H ASP A 102 5.989 -7.185 -4.616 1.00 0.64 H new ATOM 0 HA ASP A 102 8.207 -5.520 -5.303 1.00 0.57 H new ATOM 0 HB2 ASP A 102 5.817 -6.628 -6.858 1.00 0.66 H new ATOM 0 HB3 ASP A 102 7.175 -5.807 -7.600 1.00 0.66 H new ATOM 1610 N LEU A 103 7.057 -3.354 -6.159 1.00 0.72 N ATOM 1611 CA LEU A 103 6.564 -2.002 -6.396 1.00 0.60 C ATOM 1612 C LEU A 103 6.794 -1.638 -7.867 1.00 0.51 C ATOM 1613 O LEU A 103 7.913 -1.720 -8.378 1.00 0.60 O ATOM 1614 CB LEU A 103 7.295 -1.015 -5.470 1.00 0.67 C ATOM 1615 CG LEU A 103 6.981 -1.210 -3.971 1.00 0.93 C ATOM 1616 CD1 LEU A 103 7.969 -2.164 -3.286 1.00 1.18 C ATOM 1617 CD2 LEU A 103 7.081 0.138 -3.260 1.00 1.08 C ATOM 0 H LEU A 103 8.010 -3.478 -6.500 1.00 0.72 H new ATOM 0 HA LEU A 103 5.497 -1.949 -6.180 1.00 0.60 H new ATOM 0 HB2 LEU A 103 8.369 -1.118 -5.622 1.00 0.67 H new ATOM 0 HB3 LEU A 103 7.028 0.002 -5.757 1.00 0.67 H new ATOM 0 HG LEU A 103 5.979 -1.635 -3.906 1.00 0.93 H new ATOM 0 HD11 LEU A 103 7.705 -2.267 -2.234 1.00 1.18 H new ATOM 0 HD12 LEU A 103 7.926 -3.140 -3.769 1.00 1.18 H new ATOM 0 HD13 LEU A 103 8.979 -1.763 -3.369 1.00 1.18 H new ATOM 0 HD21 LEU A 103 6.860 0.008 -2.201 1.00 1.08 H new ATOM 0 HD22 LEU A 103 8.089 0.536 -3.374 1.00 1.08 H new ATOM 0 HD23 LEU A 103 6.365 0.834 -3.697 1.00 1.08 H new ATOM 1629 N LEU A 104 5.717 -1.244 -8.547 1.00 0.41 N ATOM 1630 CA LEU A 104 5.675 -1.038 -9.992 1.00 0.42 C ATOM 1631 C LEU A 104 5.644 0.465 -10.301 1.00 0.44 C ATOM 1632 O LEU A 104 4.687 1.161 -9.941 1.00 0.38 O ATOM 1633 CB LEU A 104 4.444 -1.782 -10.560 1.00 0.41 C ATOM 1634 CG LEU A 104 4.305 -3.271 -10.156 1.00 0.47 C ATOM 1635 CD1 LEU A 104 3.039 -3.866 -10.788 1.00 0.68 C ATOM 1636 CD2 LEU A 104 5.525 -4.106 -10.564 1.00 0.56 C ATOM 0 H LEU A 104 4.824 -1.054 -8.092 1.00 0.41 H new ATOM 0 HA LEU A 104 6.568 -1.443 -10.469 1.00 0.42 H new ATOM 0 HB2 LEU A 104 3.546 -1.254 -10.240 1.00 0.41 H new ATOM 0 HB3 LEU A 104 4.478 -1.723 -11.648 1.00 0.41 H new ATOM 0 HG LEU A 104 4.235 -3.305 -9.069 1.00 0.47 H new ATOM 0 HD11 LEU A 104 2.947 -4.913 -10.500 1.00 0.68 H new ATOM 0 HD12 LEU A 104 2.165 -3.315 -10.440 1.00 0.68 H new ATOM 0 HD13 LEU A 104 3.105 -3.792 -11.873 1.00 0.68 H new ATOM 0 HD21 LEU A 104 5.376 -5.141 -10.258 1.00 0.56 H new ATOM 0 HD22 LEU A 104 5.651 -4.062 -11.646 1.00 0.56 H new ATOM 0 HD23 LEU A 104 6.417 -3.709 -10.079 1.00 0.56 H new ATOM 1648 N PHE A 105 6.682 0.975 -10.968 1.00 0.58 N ATOM 1649 CA PHE A 105 6.860 2.394 -11.276 1.00 0.60 C ATOM 1650 C PHE A 105 6.741 2.659 -12.783 1.00 0.63 C ATOM 1651 O PHE A 105 7.450 2.070 -13.601 1.00 0.77 O ATOM 1652 CB PHE A 105 8.230 2.858 -10.770 1.00 0.67 C ATOM 1653 CG PHE A 105 8.414 2.793 -9.266 1.00 0.67 C ATOM 1654 CD1 PHE A 105 7.987 3.867 -8.460 1.00 1.71 C ATOM 1655 CD2 PHE A 105 9.043 1.680 -8.670 1.00 2.04 C ATOM 1656 CE1 PHE A 105 8.227 3.849 -7.075 1.00 1.69 C ATOM 1657 CE2 PHE A 105 9.272 1.663 -7.285 1.00 2.09 C ATOM 1658 CZ PHE A 105 8.881 2.752 -6.491 1.00 0.77 C ATOM 0 H PHE A 105 7.444 0.394 -11.319 1.00 0.58 H new ATOM 0 HA PHE A 105 6.071 2.955 -10.775 1.00 0.60 H new ATOM 0 HB2 PHE A 105 9.000 2.248 -11.242 1.00 0.67 H new ATOM 0 HB3 PHE A 105 8.392 3.885 -11.097 1.00 0.67 H new ATOM 0 HD1 PHE A 105 7.474 4.706 -8.907 1.00 1.71 H new ATOM 0 HD2 PHE A 105 9.348 0.842 -9.279 1.00 2.04 H new ATOM 0 HE1 PHE A 105 7.909 4.678 -6.461 1.00 1.69 H new ATOM 0 HE2 PHE A 105 9.751 0.809 -6.829 1.00 2.09 H new ATOM 0 HZ PHE A 105 9.083 2.746 -5.430 1.00 0.77 H new ATOM 1668 N ALA A 106 5.917 3.653 -13.133 1.00 0.65 N ATOM 1669 CA ALA A 106 5.730 4.148 -14.501 1.00 0.70 C ATOM 1670 C ALA A 106 7.013 4.735 -15.119 1.00 1.48 C ATOM 1671 O ALA A 106 7.133 4.787 -16.338 1.00 2.18 O ATOM 1672 CB ALA A 106 4.604 5.186 -14.491 1.00 1.79 C ATOM 0 H ALA A 106 5.344 4.150 -12.451 1.00 0.65 H new ATOM 0 HA ALA A 106 5.465 3.300 -15.133 1.00 0.70 H new ATOM 0 HB1 ALA A 106 4.450 5.566 -15.501 1.00 1.79 H new ATOM 0 HB2 ALA A 106 3.685 4.722 -14.134 1.00 1.79 H new ATOM 0 HB3 ALA A 106 4.875 6.010 -13.831 1.00 1.79 H new ATOM 1678 N GLY A 107 8.006 5.100 -14.298 1.00 3.19 N ATOM 1679 CA GLY A 107 9.344 5.524 -14.738 1.00 4.56 C ATOM 1680 C GLY A 107 10.243 4.375 -15.225 1.00 3.97 C ATOM 1681 O GLY A 107 11.459 4.440 -15.017 1.00 4.85 O ATOM 0 H GLY A 107 7.900 5.109 -13.284 1.00 3.19 H new ATOM 0 HA2 GLY A 107 9.236 6.251 -15.543 1.00 4.56 H new ATOM 0 HA3 GLY A 107 9.841 6.034 -13.912 1.00 4.56 H new ATOM 1685 N GLY A 108 9.661 3.333 -15.833 1.00 2.71 N ATOM 1686 CA GLY A 108 10.365 2.195 -16.444 1.00 2.45 C ATOM 1687 C GLY A 108 11.085 1.291 -15.446 1.00 1.80 C ATOM 1688 O GLY A 108 12.195 0.844 -15.738 1.00 2.22 O ATOM 0 H GLY A 108 8.647 3.255 -15.917 1.00 2.71 H new ATOM 0 HA2 GLY A 108 9.646 1.597 -17.005 1.00 2.45 H new ATOM 0 HA3 GLY A 108 11.092 2.576 -17.162 1.00 2.45 H new ATOM 1692 N LYS A 109 10.532 1.084 -14.241 1.00 1.00 N ATOM 1693 CA LYS A 109 11.249 0.453 -13.117 1.00 0.76 C ATOM 1694 C LYS A 109 10.376 -0.484 -12.264 1.00 0.72 C ATOM 1695 O LYS A 109 9.209 -0.205 -11.995 1.00 0.81 O ATOM 1696 CB LYS A 109 11.872 1.552 -12.225 1.00 0.91 C ATOM 1697 CG LYS A 109 13.105 2.190 -12.878 1.00 1.21 C ATOM 1698 CD LYS A 109 13.569 3.457 -12.147 1.00 1.77 C ATOM 1699 CE LYS A 109 14.665 4.164 -12.958 1.00 2.53 C ATOM 1700 NZ LYS A 109 14.130 4.770 -14.207 1.00 2.94 N ATOM 0 H LYS A 109 9.573 1.349 -14.016 1.00 1.00 H new ATOM 0 HA LYS A 109 12.023 -0.177 -13.556 1.00 0.76 H new ATOM 0 HB2 LYS A 109 11.127 2.323 -12.026 1.00 0.91 H new ATOM 0 HB3 LYS A 109 12.152 1.123 -11.263 1.00 0.91 H new ATOM 0 HG2 LYS A 109 13.919 1.465 -12.894 1.00 1.21 H new ATOM 0 HG3 LYS A 109 12.876 2.436 -13.915 1.00 1.21 H new ATOM 0 HD2 LYS A 109 12.725 4.130 -11.998 1.00 1.77 H new ATOM 0 HD3 LYS A 109 13.948 3.198 -11.158 1.00 1.77 H new ATOM 0 HE2 LYS A 109 15.125 4.940 -12.346 1.00 2.53 H new ATOM 0 HE3 LYS A 109 15.449 3.449 -13.209 1.00 2.53 H new ATOM 0 HZ1 LYS A 109 14.645 4.389 -15.026 1.00 2.94 H new ATOM 0 HZ2 LYS A 109 13.119 4.543 -14.298 1.00 2.94 H new ATOM 0 HZ3 LYS A 109 14.251 5.802 -14.171 1.00 2.94 H new ATOM 1714 N VAL A 110 11.007 -1.549 -11.773 1.00 0.79 N ATOM 1715 CA VAL A 110 10.505 -2.462 -10.737 1.00 0.80 C ATOM 1716 C VAL A 110 11.550 -2.588 -9.622 1.00 0.87 C ATOM 1717 O VAL A 110 12.749 -2.498 -9.885 1.00 0.94 O ATOM 1718 CB VAL A 110 10.140 -3.838 -11.338 1.00 0.90 C ATOM 1719 CG1 VAL A 110 11.343 -4.582 -11.947 1.00 2.29 C ATOM 1720 CG2 VAL A 110 9.425 -4.747 -10.326 1.00 1.67 C ATOM 0 H VAL A 110 11.934 -1.817 -12.103 1.00 0.79 H new ATOM 0 HA VAL A 110 9.589 -2.053 -10.310 1.00 0.80 H new ATOM 0 HB VAL A 110 9.451 -3.608 -12.151 1.00 0.90 H new ATOM 0 HG11 VAL A 110 11.013 -5.540 -12.350 1.00 2.29 H new ATOM 0 HG12 VAL A 110 11.775 -3.981 -12.747 1.00 2.29 H new ATOM 0 HG13 VAL A 110 12.094 -4.752 -11.176 1.00 2.29 H new ATOM 0 HG21 VAL A 110 9.190 -5.702 -10.797 1.00 1.67 H new ATOM 0 HG22 VAL A 110 10.074 -4.916 -9.467 1.00 1.67 H new ATOM 0 HG23 VAL A 110 8.503 -4.269 -9.995 1.00 1.67 H new ATOM 1730 N LEU A 111 11.072 -2.762 -8.390 1.00 0.92 N ATOM 1731 CA LEU A 111 11.847 -2.877 -7.149 1.00 0.96 C ATOM 1732 C LEU A 111 10.989 -3.625 -6.125 1.00 0.90 C ATOM 1733 O LEU A 111 9.781 -3.442 -6.142 1.00 1.23 O ATOM 1734 CB LEU A 111 12.202 -1.438 -6.716 1.00 1.07 C ATOM 1735 CG LEU A 111 12.916 -1.256 -5.358 1.00 1.13 C ATOM 1736 CD1 LEU A 111 13.803 -0.002 -5.417 1.00 1.65 C ATOM 1737 CD2 LEU A 111 11.922 -1.076 -4.199 1.00 2.16 C ATOM 0 H LEU A 111 10.069 -2.831 -8.218 1.00 0.92 H new ATOM 0 HA LEU A 111 12.774 -3.440 -7.261 1.00 0.96 H new ATOM 0 HB2 LEU A 111 12.834 -1.001 -7.489 1.00 1.07 H new ATOM 0 HB3 LEU A 111 11.280 -0.857 -6.691 1.00 1.07 H new ATOM 0 HG LEU A 111 13.503 -2.156 -5.177 1.00 1.13 H new ATOM 0 HD11 LEU A 111 14.309 0.131 -4.461 1.00 1.65 H new ATOM 0 HD12 LEU A 111 14.545 -0.118 -6.207 1.00 1.65 H new ATOM 0 HD13 LEU A 111 13.185 0.871 -5.625 1.00 1.65 H new ATOM 0 HD21 LEU A 111 12.470 -0.952 -3.265 1.00 2.16 H new ATOM 0 HD22 LEU A 111 11.308 -0.193 -4.380 1.00 2.16 H new ATOM 0 HD23 LEU A 111 11.281 -1.955 -4.129 1.00 2.16 H new ATOM 1749 N LYS A 112 11.558 -4.418 -5.209 1.00 0.76 N ATOM 1750 CA LYS A 112 10.773 -5.029 -4.117 1.00 0.80 C ATOM 1751 C LYS A 112 11.283 -4.682 -2.709 1.00 0.81 C ATOM 1752 O LYS A 112 12.453 -4.347 -2.529 1.00 1.02 O ATOM 1753 CB LYS A 112 10.591 -6.542 -4.340 1.00 1.30 C ATOM 1754 CG LYS A 112 11.852 -7.407 -4.209 1.00 1.48 C ATOM 1755 CD LYS A 112 11.426 -8.875 -4.052 1.00 1.38 C ATOM 1756 CE LYS A 112 12.632 -9.816 -4.071 1.00 1.85 C ATOM 1757 NZ LYS A 112 12.235 -11.174 -3.635 1.00 2.23 N ATOM 0 H LYS A 112 12.550 -4.653 -5.197 1.00 0.76 H new ATOM 0 HA LYS A 112 9.784 -4.573 -4.159 1.00 0.80 H new ATOM 0 HB2 LYS A 112 9.851 -6.906 -3.627 1.00 1.30 H new ATOM 0 HB3 LYS A 112 10.175 -6.693 -5.336 1.00 1.30 H new ATOM 0 HG2 LYS A 112 12.485 -7.289 -5.089 1.00 1.48 H new ATOM 0 HG3 LYS A 112 12.440 -7.090 -3.348 1.00 1.48 H new ATOM 0 HD2 LYS A 112 10.882 -8.999 -3.116 1.00 1.38 H new ATOM 0 HD3 LYS A 112 10.741 -9.144 -4.856 1.00 1.38 H new ATOM 0 HE2 LYS A 112 13.052 -9.858 -5.076 1.00 1.85 H new ATOM 0 HE3 LYS A 112 13.412 -9.430 -3.415 1.00 1.85 H new ATOM 0 HZ1 LYS A 112 12.893 -11.873 -4.035 1.00 2.23 H new ATOM 0 HZ2 LYS A 112 12.262 -11.227 -2.597 1.00 2.23 H new ATOM 0 HZ3 LYS A 112 11.271 -11.377 -3.967 1.00 2.23 H new ATOM 1771 N VAL A 113 10.383 -4.765 -1.729 1.00 0.72 N ATOM 1772 CA VAL A 113 10.591 -4.484 -0.297 1.00 0.81 C ATOM 1773 C VAL A 113 10.033 -5.663 0.530 1.00 0.75 C ATOM 1774 O VAL A 113 9.422 -6.578 -0.026 1.00 0.81 O ATOM 1775 CB VAL A 113 9.940 -3.121 0.075 1.00 0.95 C ATOM 1776 CG1 VAL A 113 10.128 -2.688 1.534 1.00 1.70 C ATOM 1777 CG2 VAL A 113 10.522 -1.966 -0.767 1.00 1.75 C ATOM 0 H VAL A 113 9.422 -5.049 -1.921 1.00 0.72 H new ATOM 0 HA VAL A 113 11.653 -4.394 -0.070 1.00 0.81 H new ATOM 0 HB VAL A 113 8.882 -3.299 -0.117 1.00 0.95 H new ATOM 0 HG11 VAL A 113 9.639 -1.727 1.694 1.00 1.70 H new ATOM 0 HG12 VAL A 113 9.687 -3.434 2.195 1.00 1.70 H new ATOM 0 HG13 VAL A 113 11.192 -2.594 1.752 1.00 1.70 H new ATOM 0 HG21 VAL A 113 10.044 -1.030 -0.480 1.00 1.75 H new ATOM 0 HG22 VAL A 113 11.596 -1.894 -0.593 1.00 1.75 H new ATOM 0 HG23 VAL A 113 10.338 -2.158 -1.824 1.00 1.75 H new ATOM 1787 N VAL A 114 10.255 -5.653 1.846 1.00 0.81 N ATOM 1788 CA VAL A 114 9.843 -6.708 2.791 1.00 0.78 C ATOM 1789 C VAL A 114 9.243 -6.093 4.057 1.00 0.78 C ATOM 1790 O VAL A 114 9.746 -5.086 4.551 1.00 0.92 O ATOM 1791 CB VAL A 114 11.000 -7.688 3.104 1.00 1.02 C ATOM 1792 CG1 VAL A 114 12.179 -7.033 3.847 1.00 1.87 C ATOM 1793 CG2 VAL A 114 10.494 -8.915 3.880 1.00 2.22 C ATOM 0 H VAL A 114 10.744 -4.885 2.305 1.00 0.81 H new ATOM 0 HA VAL A 114 9.064 -7.302 2.313 1.00 0.78 H new ATOM 0 HB VAL A 114 11.383 -8.009 2.135 1.00 1.02 H new ATOM 0 HG11 VAL A 114 12.952 -7.779 4.033 1.00 1.87 H new ATOM 0 HG12 VAL A 114 12.591 -6.228 3.238 1.00 1.87 H new ATOM 0 HG13 VAL A 114 11.830 -6.628 4.797 1.00 1.87 H new ATOM 0 HG21 VAL A 114 11.329 -9.585 4.085 1.00 2.22 H new ATOM 0 HG22 VAL A 114 10.048 -8.592 4.821 1.00 2.22 H new ATOM 0 HG23 VAL A 114 9.746 -9.439 3.285 1.00 2.22 H new ATOM 1803 N LEU A 115 8.133 -6.670 4.533 1.00 0.77 N ATOM 1804 CA LEU A 115 7.247 -6.093 5.547 1.00 0.85 C ATOM 1805 C LEU A 115 6.799 -7.166 6.574 1.00 0.81 C ATOM 1806 O LEU A 115 6.429 -8.268 6.155 1.00 0.83 O ATOM 1807 CB LEU A 115 5.991 -5.540 4.838 1.00 1.09 C ATOM 1808 CG LEU A 115 6.201 -4.528 3.690 1.00 0.99 C ATOM 1809 CD1 LEU A 115 4.841 -4.201 3.054 1.00 1.86 C ATOM 1810 CD2 LEU A 115 6.864 -3.231 4.171 1.00 2.29 C ATOM 0 H LEU A 115 7.817 -7.584 4.210 1.00 0.77 H new ATOM 0 HA LEU A 115 7.785 -5.306 6.076 1.00 0.85 H new ATOM 0 HB2 LEU A 115 5.430 -6.386 4.441 1.00 1.09 H new ATOM 0 HB3 LEU A 115 5.362 -5.066 5.592 1.00 1.09 H new ATOM 0 HG LEU A 115 6.869 -4.986 2.960 1.00 0.99 H new ATOM 0 HD11 LEU A 115 4.981 -3.487 2.242 1.00 1.86 H new ATOM 0 HD12 LEU A 115 4.394 -5.114 2.661 1.00 1.86 H new ATOM 0 HD13 LEU A 115 4.181 -3.770 3.807 1.00 1.86 H new ATOM 0 HD21 LEU A 115 6.990 -2.552 3.327 1.00 2.29 H new ATOM 0 HD22 LEU A 115 6.235 -2.759 4.926 1.00 2.29 H new ATOM 0 HD23 LEU A 115 7.839 -3.459 4.602 1.00 2.29 H new ATOM 1822 N PRO A 116 6.783 -6.871 7.889 1.00 0.83 N ATOM 1823 CA PRO A 116 6.219 -7.752 8.909 1.00 0.87 C ATOM 1824 C PRO A 116 4.695 -7.872 8.790 1.00 0.92 C ATOM 1825 O PRO A 116 4.026 -7.008 8.220 1.00 0.96 O ATOM 1826 CB PRO A 116 6.628 -7.141 10.254 1.00 0.93 C ATOM 1827 CG PRO A 116 6.738 -5.651 9.933 1.00 0.89 C ATOM 1828 CD PRO A 116 7.311 -5.672 8.518 1.00 0.86 C ATOM 0 HA PRO A 116 6.595 -8.769 8.797 1.00 0.87 H new ATOM 0 HB2 PRO A 116 5.885 -7.334 11.028 1.00 0.93 H new ATOM 0 HB3 PRO A 116 7.574 -7.548 10.612 1.00 0.93 H new ATOM 0 HG2 PRO A 116 5.770 -5.152 9.974 1.00 0.89 H new ATOM 0 HG3 PRO A 116 7.394 -5.131 10.631 1.00 0.89 H new ATOM 0 HD2 PRO A 116 7.017 -4.780 7.965 1.00 0.86 H new ATOM 0 HD3 PRO A 116 8.401 -5.690 8.539 1.00 0.86 H new ATOM 1836 N VAL A 117 4.145 -8.940 9.365 1.00 0.98 N ATOM 1837 CA VAL A 117 2.704 -9.186 9.464 1.00 1.11 C ATOM 1838 C VAL A 117 2.224 -8.891 10.892 1.00 1.11 C ATOM 1839 O VAL A 117 2.802 -9.387 11.858 1.00 1.04 O ATOM 1840 CB VAL A 117 2.389 -10.644 9.077 1.00 1.25 C ATOM 1841 CG1 VAL A 117 0.882 -10.922 9.097 1.00 1.50 C ATOM 1842 CG2 VAL A 117 2.908 -10.983 7.667 1.00 1.23 C ATOM 0 H VAL A 117 4.704 -9.681 9.788 1.00 0.98 H new ATOM 0 HA VAL A 117 2.178 -8.525 8.775 1.00 1.11 H new ATOM 0 HB VAL A 117 2.892 -11.264 9.819 1.00 1.25 H new ATOM 0 HG11 VAL A 117 0.700 -11.960 8.819 1.00 1.50 H new ATOM 0 HG12 VAL A 117 0.492 -10.741 10.099 1.00 1.50 H new ATOM 0 HG13 VAL A 117 0.381 -10.263 8.388 1.00 1.50 H new ATOM 0 HG21 VAL A 117 2.667 -12.019 7.430 1.00 1.23 H new ATOM 0 HG22 VAL A 117 2.436 -10.325 6.938 1.00 1.23 H new ATOM 0 HG23 VAL A 117 3.989 -10.845 7.634 1.00 1.23 H new ATOM 1852 N GLU A 118 1.144 -8.117 11.016 1.00 1.33 N ATOM 1853 CA GLU A 118 0.515 -7.698 12.278 1.00 1.40 C ATOM 1854 C GLU A 118 -1.015 -7.597 12.121 1.00 1.58 C ATOM 1855 O GLU A 118 -1.536 -7.719 11.011 1.00 2.21 O ATOM 1856 CB GLU A 118 1.152 -6.386 12.789 1.00 1.51 C ATOM 1857 CG GLU A 118 0.947 -5.184 11.856 1.00 2.54 C ATOM 1858 CD GLU A 118 1.690 -3.937 12.345 1.00 3.07 C ATOM 1859 OE1 GLU A 118 2.934 -3.964 12.426 1.00 3.54 O ATOM 1860 OE2 GLU A 118 1.012 -2.924 12.618 1.00 4.06 O ATOM 0 H GLU A 118 0.657 -7.745 10.200 1.00 1.33 H new ATOM 0 HA GLU A 118 0.699 -8.458 13.037 1.00 1.40 H new ATOM 0 HB2 GLU A 118 0.733 -6.149 13.767 1.00 1.51 H new ATOM 0 HB3 GLU A 118 2.221 -6.545 12.930 1.00 1.51 H new ATOM 0 HG2 GLU A 118 1.292 -5.441 10.855 1.00 2.54 H new ATOM 0 HG3 GLU A 118 -0.118 -4.963 11.779 1.00 2.54 H new