USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 THR OG1 : rot -153:sc= 0.0439 USER MOD Set 1.2: A 61 MET CE :methyl 155:sc= 0 (180deg=-0.107) USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.302 K(o=-0.72,f=-2.4) USER MOD Set 1.4: A 85 MET CE :methyl -160:sc= -1.06 (180deg=-1.82) USER MOD Single : A 11 SER OG : rot 46:sc= 1.16 USER MOD Single : A 15 ASN : amide:sc= -0.01 K(o=-0.01,f=-1.2) USER MOD Single : A 19 TYR OH : rot 180:sc= 1.22 USER MOD Single : A 21 THR OG1 : rot -89:sc= 0.235 USER MOD Single : A 24 ASN : amide:sc= -0.641 K(o=-0.64,f=-5.3!) USER MOD Single : A 37 THR OG1 : rot 75:sc= 0.499 USER MOD Single : A 46 HIS : no HD1:sc= -0.289 K(o=-0.29,f=-3.3!) USER MOD Single : A 50 MET CE :methyl 169:sc=-0.00305 (180deg=-0.199) USER MOD Single : A 56 LYS NZ :NH3+ 149:sc= 0.409 (180deg=-0.791!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -145:sc= -0.0314 (180deg=-0.54) USER MOD Single : A 72 LYS NZ :NH3+ 140:sc= 0.372 (180deg=-1.27!) USER MOD Single : A 78 LYS NZ :NH3+ 143:sc= 1.14 (180deg=0.3) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= 0.987 (180deg=0.918) USER MOD Single : A 94 LYS NZ :NH3+ -161:sc= 0.532 (180deg=-0.461!) USER MOD Single : A 109 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0957) USER MOD Single : A 112 LYS NZ :NH3+ -111:sc= 0.634 (180deg=-0.889!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 11.500 -4.226 -2.683 1.00 1.90 N ATOM 56 CA GLU A 5 11.868 -3.793 -1.331 1.00 1.17 C ATOM 57 C GLU A 5 10.615 -3.405 -0.514 1.00 1.11 C ATOM 58 O GLU A 5 10.472 -2.277 -0.035 1.00 1.50 O ATOM 59 CB GLU A 5 12.986 -2.717 -1.386 1.00 2.56 C ATOM 60 CG GLU A 5 13.176 -1.849 -2.644 1.00 3.95 C ATOM 61 CD GLU A 5 14.139 -2.411 -3.691 1.00 4.90 C ATOM 62 OE1 GLU A 5 14.209 -3.640 -3.896 1.00 4.83 O ATOM 63 OE2 GLU A 5 14.745 -1.579 -4.400 1.00 6.27 O ATOM 0 HA GLU A 5 12.306 -4.626 -0.781 1.00 1.17 H new ATOM 0 HB2 GLU A 5 12.820 -2.038 -0.549 1.00 2.56 H new ATOM 0 HB3 GLU A 5 13.932 -3.226 -1.201 1.00 2.56 H new ATOM 0 HG2 GLU A 5 12.203 -1.701 -3.113 1.00 3.95 H new ATOM 0 HG3 GLU A 5 13.534 -0.867 -2.336 1.00 3.95 H new ATOM 70 N GLY A 6 9.648 -4.328 -0.436 1.00 0.98 N ATOM 71 CA GLY A 6 8.335 -4.122 0.192 1.00 0.94 C ATOM 72 C GLY A 6 7.924 -5.277 1.098 1.00 0.84 C ATOM 73 O GLY A 6 8.453 -6.382 0.979 1.00 0.92 O ATOM 0 H GLY A 6 9.760 -5.267 -0.819 1.00 0.98 H new ATOM 0 HA2 GLY A 6 8.356 -3.200 0.774 1.00 0.94 H new ATOM 0 HA3 GLY A 6 7.582 -3.991 -0.585 1.00 0.94 H new ATOM 77 N TRP A 7 6.960 -5.031 1.992 1.00 0.82 N ATOM 78 CA TRP A 7 6.517 -6.000 3.001 1.00 0.79 C ATOM 79 C TRP A 7 5.155 -5.677 3.642 1.00 0.85 C ATOM 80 O TRP A 7 4.693 -4.540 3.610 1.00 0.92 O ATOM 81 CB TRP A 7 7.596 -6.157 4.082 1.00 0.94 C ATOM 82 CG TRP A 7 7.832 -5.010 5.010 1.00 1.15 C ATOM 83 CD1 TRP A 7 7.234 -4.868 6.209 1.00 1.21 C ATOM 84 CD2 TRP A 7 8.837 -3.952 4.942 1.00 1.51 C ATOM 85 NE1 TRP A 7 7.920 -3.944 6.961 1.00 1.62 N ATOM 86 CE2 TRP A 7 8.922 -3.342 6.229 1.00 1.90 C ATOM 87 CE3 TRP A 7 9.733 -3.494 3.952 1.00 1.68 C ATOM 88 CZ2 TRP A 7 9.909 -2.394 6.540 1.00 2.56 C ATOM 89 CZ3 TRP A 7 10.678 -2.489 4.232 1.00 2.27 C ATOM 90 CH2 TRP A 7 10.782 -1.953 5.528 1.00 2.75 C ATOM 0 H TRP A 7 6.460 -4.143 2.036 1.00 0.82 H new ATOM 0 HA TRP A 7 6.370 -6.941 2.471 1.00 0.79 H new ATOM 0 HB2 TRP A 7 7.339 -7.028 4.686 1.00 0.94 H new ATOM 0 HB3 TRP A 7 8.538 -6.382 3.583 1.00 0.94 H new ATOM 0 HD1 TRP A 7 6.350 -5.399 6.530 1.00 1.21 H new ATOM 0 HE1 TRP A 7 7.714 -3.731 7.937 1.00 1.62 H new ATOM 0 HE3 TRP A 7 9.693 -3.923 2.961 1.00 1.68 H new ATOM 0 HZ2 TRP A 7 9.998 -2.007 7.544 1.00 2.56 H new ATOM 0 HZ3 TRP A 7 11.326 -2.128 3.448 1.00 2.27 H new ATOM 0 HH2 TRP A 7 11.530 -1.205 5.746 1.00 2.75 H new ATOM 101 N VAL A 8 4.520 -6.671 4.263 1.00 0.97 N ATOM 102 CA VAL A 8 3.184 -6.541 4.881 1.00 1.05 C ATOM 103 C VAL A 8 3.303 -6.595 6.411 1.00 1.19 C ATOM 104 O VAL A 8 4.217 -7.232 6.925 1.00 1.45 O ATOM 105 CB VAL A 8 2.234 -7.619 4.305 1.00 1.08 C ATOM 106 CG1 VAL A 8 0.812 -7.553 4.888 1.00 1.13 C ATOM 107 CG2 VAL A 8 2.152 -7.440 2.777 1.00 1.04 C ATOM 0 H VAL A 8 4.918 -7.606 4.357 1.00 0.97 H new ATOM 0 HA VAL A 8 2.749 -5.572 4.637 1.00 1.05 H new ATOM 0 HB VAL A 8 2.647 -8.590 4.578 1.00 1.08 H new ATOM 0 HG11 VAL A 8 0.199 -8.336 4.441 1.00 1.13 H new ATOM 0 HG12 VAL A 8 0.854 -7.697 5.968 1.00 1.13 H new ATOM 0 HG13 VAL A 8 0.374 -6.579 4.669 1.00 1.13 H new ATOM 0 HG21 VAL A 8 1.485 -8.194 2.358 1.00 1.04 H new ATOM 0 HG22 VAL A 8 1.767 -6.447 2.547 1.00 1.04 H new ATOM 0 HG23 VAL A 8 3.146 -7.553 2.344 1.00 1.04 H new ATOM 117 N ARG A 9 2.404 -5.923 7.144 1.00 1.05 N ATOM 118 CA ARG A 9 2.378 -5.930 8.610 1.00 1.02 C ATOM 119 C ARG A 9 1.538 -7.093 9.151 1.00 1.04 C ATOM 120 O ARG A 9 0.311 -7.096 9.032 1.00 1.58 O ATOM 121 CB ARG A 9 1.821 -4.605 9.156 1.00 1.09 C ATOM 122 CG ARG A 9 2.017 -4.535 10.678 1.00 1.42 C ATOM 123 CD ARG A 9 1.355 -3.306 11.312 1.00 2.06 C ATOM 124 NE ARG A 9 1.947 -3.035 12.626 1.00 2.67 N ATOM 125 CZ ARG A 9 1.786 -3.679 13.771 1.00 3.18 C ATOM 126 NH1 ARG A 9 0.800 -4.529 13.989 1.00 3.51 N ATOM 127 NH2 ARG A 9 2.661 -3.449 14.720 1.00 4.18 N ATOM 0 H ARG A 9 1.667 -5.353 6.729 1.00 1.05 H new ATOM 0 HA ARG A 9 3.407 -6.055 8.947 1.00 1.02 H new ATOM 0 HB2 ARG A 9 2.326 -3.765 8.678 1.00 1.09 H new ATOM 0 HB3 ARG A 9 0.762 -4.520 8.914 1.00 1.09 H new ATOM 0 HG2 ARG A 9 1.607 -5.437 11.133 1.00 1.42 H new ATOM 0 HG3 ARG A 9 3.084 -4.522 10.901 1.00 1.42 H new ATOM 0 HD2 ARG A 9 1.481 -2.440 10.662 1.00 2.06 H new ATOM 0 HD3 ARG A 9 0.283 -3.474 11.415 1.00 2.06 H new ATOM 0 HE ARG A 9 2.575 -2.232 12.663 1.00 2.67 H new ATOM 0 HH11 ARG A 9 0.116 -4.716 13.256 1.00 3.51 H new ATOM 0 HH12 ARG A 9 0.722 -4.999 14.891 1.00 3.51 H new ATOM 0 HH21 ARG A 9 3.427 -2.795 14.560 1.00 4.18 H new ATOM 0 HH22 ARG A 9 2.575 -3.924 15.619 1.00 4.18 H new ATOM 141 N PHE A 10 2.204 -8.016 9.839 1.00 1.07 N ATOM 142 CA PHE A 10 1.637 -9.057 10.693 1.00 1.09 C ATOM 143 C PHE A 10 0.510 -8.538 11.600 1.00 1.06 C ATOM 144 O PHE A 10 0.735 -7.680 12.452 1.00 1.49 O ATOM 145 CB PHE A 10 2.785 -9.606 11.557 1.00 1.58 C ATOM 146 CG PHE A 10 2.337 -10.582 12.622 1.00 1.52 C ATOM 147 CD1 PHE A 10 2.134 -11.932 12.287 1.00 1.79 C ATOM 148 CD2 PHE A 10 2.053 -10.132 13.925 1.00 2.52 C ATOM 149 CE1 PHE A 10 1.615 -12.825 13.240 1.00 2.04 C ATOM 150 CE2 PHE A 10 1.515 -11.017 14.873 1.00 2.49 C ATOM 151 CZ PHE A 10 1.280 -12.358 14.524 1.00 1.77 C ATOM 0 H PHE A 10 3.223 -8.060 9.813 1.00 1.07 H new ATOM 0 HA PHE A 10 1.191 -9.827 10.063 1.00 1.09 H new ATOM 0 HB2 PHE A 10 3.511 -10.098 10.910 1.00 1.58 H new ATOM 0 HB3 PHE A 10 3.298 -8.772 12.035 1.00 1.58 H new ATOM 0 HD1 PHE A 10 2.377 -12.284 11.295 1.00 1.79 H new ATOM 0 HD2 PHE A 10 2.249 -9.105 14.196 1.00 2.52 H new ATOM 0 HE1 PHE A 10 1.474 -13.866 12.988 1.00 2.04 H new ATOM 0 HE2 PHE A 10 1.282 -10.668 15.868 1.00 2.49 H new ATOM 0 HZ PHE A 10 0.841 -13.032 15.244 1.00 1.77 H new ATOM 161 N SER A 11 -0.693 -9.102 11.473 1.00 0.99 N ATOM 162 CA SER A 11 -1.813 -8.939 12.396 1.00 1.31 C ATOM 163 C SER A 11 -2.917 -9.971 12.087 1.00 1.61 C ATOM 164 O SER A 11 -3.707 -9.750 11.168 1.00 1.84 O ATOM 165 CB SER A 11 -2.367 -7.512 12.267 1.00 1.55 C ATOM 166 OG SER A 11 -1.556 -6.582 12.970 1.00 1.93 O ATOM 0 H SER A 11 -0.921 -9.712 10.688 1.00 0.99 H new ATOM 0 HA SER A 11 -1.468 -9.104 13.417 1.00 1.31 H new ATOM 0 HB2 SER A 11 -2.418 -7.232 11.215 1.00 1.55 H new ATOM 0 HB3 SER A 11 -3.385 -7.478 12.655 1.00 1.55 H new ATOM 0 HG SER A 11 -0.612 -6.755 12.771 1.00 1.93 H new ATOM 172 N PRO A 12 -2.989 -11.109 12.805 1.00 2.12 N ATOM 173 CA PRO A 12 -4.044 -12.104 12.637 1.00 2.61 C ATOM 174 C PRO A 12 -5.292 -11.657 13.418 1.00 2.34 C ATOM 175 O PRO A 12 -5.620 -12.202 14.469 1.00 2.81 O ATOM 176 CB PRO A 12 -3.420 -13.413 13.133 1.00 3.55 C ATOM 177 CG PRO A 12 -2.501 -12.940 14.258 1.00 3.56 C ATOM 178 CD PRO A 12 -1.983 -11.598 13.740 1.00 2.70 C ATOM 0 HA PRO A 12 -4.389 -12.232 11.611 1.00 2.61 H new ATOM 0 HB2 PRO A 12 -4.176 -14.111 13.494 1.00 3.55 H new ATOM 0 HB3 PRO A 12 -2.866 -13.922 12.344 1.00 3.55 H new ATOM 0 HG2 PRO A 12 -3.040 -12.828 15.199 1.00 3.56 H new ATOM 0 HG3 PRO A 12 -1.688 -13.644 14.438 1.00 3.56 H new ATOM 0 HD2 PRO A 12 -1.838 -10.894 14.559 1.00 2.70 H new ATOM 0 HD3 PRO A 12 -1.018 -11.717 13.247 1.00 2.70 H new ATOM 186 N GLY A 13 -5.950 -10.603 12.924 1.00 2.01 N ATOM 187 CA GLY A 13 -7.064 -9.933 13.605 1.00 1.81 C ATOM 188 C GLY A 13 -8.126 -9.360 12.653 1.00 1.38 C ATOM 189 O GLY A 13 -8.345 -9.916 11.576 1.00 1.85 O ATOM 0 H GLY A 13 -5.719 -10.184 12.023 1.00 2.01 H new ATOM 0 HA2 GLY A 13 -7.542 -10.642 14.281 1.00 1.81 H new ATOM 0 HA3 GLY A 13 -6.667 -9.124 14.219 1.00 1.81 H new ATOM 193 N PRO A 14 -8.826 -8.277 13.042 1.00 1.03 N ATOM 194 CA PRO A 14 -9.872 -7.667 12.220 1.00 1.28 C ATOM 195 C PRO A 14 -9.305 -6.812 11.077 1.00 1.02 C ATOM 196 O PRO A 14 -10.012 -6.571 10.099 1.00 1.38 O ATOM 197 CB PRO A 14 -10.687 -6.816 13.198 1.00 1.76 C ATOM 198 CG PRO A 14 -9.654 -6.381 14.236 1.00 1.69 C ATOM 199 CD PRO A 14 -8.724 -7.590 14.325 1.00 1.27 C ATOM 0 HA PRO A 14 -10.474 -8.427 11.722 1.00 1.28 H new ATOM 0 HB2 PRO A 14 -11.143 -5.959 12.702 1.00 1.76 H new ATOM 0 HB3 PRO A 14 -11.496 -7.389 13.652 1.00 1.76 H new ATOM 0 HG2 PRO A 14 -9.120 -5.484 13.922 1.00 1.69 H new ATOM 0 HG3 PRO A 14 -10.117 -6.157 15.197 1.00 1.69 H new ATOM 0 HD2 PRO A 14 -7.698 -7.278 14.519 1.00 1.27 H new ATOM 0 HD3 PRO A 14 -9.018 -8.248 15.143 1.00 1.27 H new ATOM 207 N ASN A 15 -8.049 -6.354 11.185 1.00 0.66 N ATOM 208 CA ASN A 15 -7.404 -5.464 10.229 1.00 0.53 C ATOM 209 C ASN A 15 -5.859 -5.524 10.275 1.00 0.57 C ATOM 210 O ASN A 15 -5.268 -6.097 11.193 1.00 0.82 O ATOM 211 CB ASN A 15 -7.946 -4.033 10.418 1.00 0.72 C ATOM 212 CG ASN A 15 -7.751 -3.459 11.817 1.00 1.42 C ATOM 213 OD1 ASN A 15 -6.659 -3.425 12.360 1.00 2.27 O ATOM 214 ND2 ASN A 15 -8.809 -2.954 12.426 1.00 2.23 N ATOM 0 H ASN A 15 -7.442 -6.605 11.966 1.00 0.66 H new ATOM 0 HA ASN A 15 -7.658 -5.809 9.227 1.00 0.53 H new ATOM 0 HB2 ASN A 15 -7.457 -3.376 9.699 1.00 0.72 H new ATOM 0 HB3 ASN A 15 -9.010 -4.028 10.183 1.00 0.72 H new ATOM 0 HD21 ASN A 15 -8.713 -2.535 13.351 1.00 2.23 H new ATOM 0 HD22 ASN A 15 -9.721 -2.983 11.971 1.00 2.23 H new ATOM 221 N ALA A 16 -5.218 -4.925 9.262 1.00 0.57 N ATOM 222 CA ALA A 16 -3.767 -4.920 9.033 1.00 0.75 C ATOM 223 C ALA A 16 -3.333 -3.815 8.043 1.00 0.61 C ATOM 224 O ALA A 16 -4.159 -3.031 7.574 1.00 0.63 O ATOM 225 CB ALA A 16 -3.334 -6.331 8.583 1.00 1.13 C ATOM 0 H ALA A 16 -5.723 -4.405 8.544 1.00 0.57 H new ATOM 0 HA ALA A 16 -3.255 -4.676 9.964 1.00 0.75 H new ATOM 0 HB1 ALA A 16 -2.258 -6.343 8.409 1.00 1.13 H new ATOM 0 HB2 ALA A 16 -3.584 -7.053 9.360 1.00 1.13 H new ATOM 0 HB3 ALA A 16 -3.854 -6.595 7.662 1.00 1.13 H new ATOM 231 N ALA A 17 -2.033 -3.752 7.731 1.00 0.90 N ATOM 232 CA ALA A 17 -1.419 -2.786 6.815 1.00 0.83 C ATOM 233 C ALA A 17 -0.502 -3.493 5.800 1.00 0.80 C ATOM 234 O ALA A 17 0.170 -4.452 6.176 1.00 1.00 O ATOM 235 CB ALA A 17 -0.591 -1.795 7.649 1.00 0.99 C ATOM 0 H ALA A 17 -1.353 -4.400 8.127 1.00 0.90 H new ATOM 0 HA ALA A 17 -2.201 -2.268 6.259 1.00 0.83 H new ATOM 0 HB1 ALA A 17 -0.124 -1.065 6.988 1.00 0.99 H new ATOM 0 HB2 ALA A 17 -1.243 -1.280 8.355 1.00 0.99 H new ATOM 0 HB3 ALA A 17 0.181 -2.336 8.196 1.00 0.99 H new ATOM 241 N ALA A 18 -0.400 -2.994 4.562 1.00 0.71 N ATOM 242 CA ALA A 18 0.635 -3.411 3.610 1.00 0.72 C ATOM 243 C ALA A 18 1.461 -2.212 3.110 1.00 0.64 C ATOM 244 O ALA A 18 0.918 -1.140 2.817 1.00 0.68 O ATOM 245 CB ALA A 18 0.002 -4.216 2.464 1.00 0.84 C ATOM 0 H ALA A 18 -1.036 -2.287 4.192 1.00 0.71 H new ATOM 0 HA ALA A 18 1.340 -4.066 4.122 1.00 0.72 H new ATOM 0 HB1 ALA A 18 0.778 -4.521 1.762 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -0.490 -5.101 2.869 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -0.732 -3.598 1.947 1.00 0.84 H new ATOM 251 N TYR A 19 2.778 -2.427 3.011 1.00 0.66 N ATOM 252 CA TYR A 19 3.794 -1.452 2.595 1.00 0.75 C ATOM 253 C TYR A 19 4.543 -1.943 1.343 1.00 0.80 C ATOM 254 O TYR A 19 4.796 -3.139 1.198 1.00 0.93 O ATOM 255 CB TYR A 19 4.831 -1.268 3.723 1.00 0.80 C ATOM 256 CG TYR A 19 4.308 -1.261 5.151 1.00 0.81 C ATOM 257 CD1 TYR A 19 3.418 -0.261 5.583 1.00 1.66 C ATOM 258 CD2 TYR A 19 4.753 -2.240 6.063 1.00 2.30 C ATOM 259 CE1 TYR A 19 3.005 -0.222 6.928 1.00 1.63 C ATOM 260 CE2 TYR A 19 4.349 -2.204 7.411 1.00 2.41 C ATOM 261 CZ TYR A 19 3.496 -1.168 7.856 1.00 1.00 C ATOM 262 OH TYR A 19 3.174 -1.038 9.173 1.00 1.17 O ATOM 0 H TYR A 19 3.186 -3.336 3.231 1.00 0.66 H new ATOM 0 HA TYR A 19 3.286 -0.512 2.376 1.00 0.75 H new ATOM 0 HB2 TYR A 19 5.569 -2.065 3.637 1.00 0.80 H new ATOM 0 HB3 TYR A 19 5.355 -0.328 3.550 1.00 0.80 H new ATOM 0 HD1 TYR A 19 3.052 0.476 4.883 1.00 1.66 H new ATOM 0 HD2 TYR A 19 5.411 -3.026 5.724 1.00 2.30 H new ATOM 0 HE1 TYR A 19 2.308 0.536 7.253 1.00 1.63 H new ATOM 0 HE2 TYR A 19 4.688 -2.963 8.101 1.00 2.41 H new ATOM 0 HH TYR A 19 3.586 -1.766 9.684 1.00 1.17 H new ATOM 272 N LEU A 20 4.984 -1.039 0.462 1.00 0.79 N ATOM 273 CA LEU A 20 5.742 -1.413 -0.745 1.00 0.84 C ATOM 274 C LEU A 20 6.422 -0.235 -1.437 1.00 0.86 C ATOM 275 O LEU A 20 5.917 0.886 -1.428 1.00 0.84 O ATOM 276 CB LEU A 20 4.880 -2.236 -1.736 1.00 0.88 C ATOM 277 CG LEU A 20 3.578 -1.554 -2.214 1.00 0.97 C ATOM 278 CD1 LEU A 20 3.714 -1.040 -3.657 1.00 1.60 C ATOM 279 CD2 LEU A 20 2.400 -2.535 -2.116 1.00 1.22 C ATOM 0 H LEU A 20 4.830 -0.036 0.560 1.00 0.79 H new ATOM 0 HA LEU A 20 6.550 -2.053 -0.391 1.00 0.84 H new ATOM 0 HB2 LEU A 20 5.488 -2.471 -2.610 1.00 0.88 H new ATOM 0 HB3 LEU A 20 4.621 -3.184 -1.264 1.00 0.88 H new ATOM 0 HG LEU A 20 3.390 -0.698 -1.565 1.00 0.97 H new ATOM 0 HD11 LEU A 20 2.782 -0.566 -3.964 1.00 1.60 H new ATOM 0 HD12 LEU A 20 4.525 -0.314 -3.710 1.00 1.60 H new ATOM 0 HD13 LEU A 20 3.932 -1.876 -4.322 1.00 1.60 H new ATOM 0 HD21 LEU A 20 1.488 -2.044 -2.455 1.00 1.22 H new ATOM 0 HD22 LEU A 20 2.598 -3.405 -2.742 1.00 1.22 H new ATOM 0 HD23 LEU A 20 2.277 -2.853 -1.081 1.00 1.22 H new ATOM 291 N THR A 21 7.550 -0.533 -2.081 1.00 0.96 N ATOM 292 CA THR A 21 8.296 0.308 -3.015 1.00 0.99 C ATOM 293 C THR A 21 7.620 0.232 -4.373 1.00 1.11 C ATOM 294 O THR A 21 7.869 -0.693 -5.141 1.00 1.42 O ATOM 295 CB THR A 21 9.766 -0.156 -3.102 1.00 1.02 C ATOM 296 OG1 THR A 21 9.922 -1.424 -2.511 1.00 1.67 O ATOM 297 CG2 THR A 21 10.688 0.900 -2.501 1.00 2.03 C ATOM 0 H THR A 21 8.000 -1.439 -1.953 1.00 0.96 H new ATOM 0 HA THR A 21 8.300 1.341 -2.668 1.00 0.99 H new ATOM 0 HB THR A 21 10.051 -0.267 -4.148 1.00 1.02 H new ATOM 0 HG1 THR A 21 10.125 -1.318 -1.558 1.00 1.67 H new ATOM 0 HG21 THR A 21 11.722 0.561 -2.568 1.00 2.03 H new ATOM 0 HG22 THR A 21 10.576 1.835 -3.050 1.00 2.03 H new ATOM 0 HG23 THR A 21 10.426 1.059 -1.455 1.00 2.03 H new ATOM 305 N LEU A 22 6.760 1.196 -4.699 1.00 1.27 N ATOM 306 CA LEU A 22 6.165 1.261 -6.029 1.00 1.39 C ATOM 307 C LEU A 22 7.098 2.037 -6.952 1.00 1.23 C ATOM 308 O LEU A 22 7.459 3.168 -6.626 1.00 1.26 O ATOM 309 CB LEU A 22 4.784 1.900 -5.952 1.00 1.61 C ATOM 310 CG LEU A 22 3.800 1.288 -6.964 1.00 1.71 C ATOM 311 CD1 LEU A 22 2.605 2.219 -6.943 1.00 2.98 C ATOM 312 CD2 LEU A 22 4.286 1.150 -8.417 1.00 2.24 C ATOM 0 H LEU A 22 6.463 1.937 -4.064 1.00 1.27 H new ATOM 0 HA LEU A 22 6.036 0.257 -6.434 1.00 1.39 H new ATOM 0 HB2 LEU A 22 4.386 1.780 -4.944 1.00 1.61 H new ATOM 0 HB3 LEU A 22 4.871 2.971 -6.135 1.00 1.61 H new ATOM 0 HG LEU A 22 3.614 0.258 -6.659 1.00 1.71 H new ATOM 0 HD11 LEU A 22 1.849 1.857 -7.640 1.00 2.98 H new ATOM 0 HD12 LEU A 22 2.186 2.250 -5.937 1.00 2.98 H new ATOM 0 HD13 LEU A 22 2.919 3.221 -7.237 1.00 2.98 H new ATOM 0 HD21 LEU A 22 3.497 0.705 -9.024 1.00 2.24 H new ATOM 0 HD22 LEU A 22 4.536 2.135 -8.812 1.00 2.24 H new ATOM 0 HD23 LEU A 22 5.169 0.512 -8.446 1.00 2.24 H new ATOM 324 N GLU A 23 7.453 1.446 -8.089 1.00 1.18 N ATOM 325 CA GLU A 23 8.415 1.980 -9.055 1.00 1.08 C ATOM 326 C GLU A 23 7.934 1.793 -10.488 1.00 0.98 C ATOM 327 O GLU A 23 7.285 0.796 -10.803 1.00 1.11 O ATOM 328 CB GLU A 23 9.812 1.360 -8.863 1.00 1.42 C ATOM 329 CG GLU A 23 9.964 -0.132 -9.187 1.00 1.57 C ATOM 330 CD GLU A 23 11.416 -0.585 -9.020 1.00 1.96 C ATOM 331 OE1 GLU A 23 12.100 -0.173 -8.051 1.00 3.16 O ATOM 332 OE2 GLU A 23 11.902 -1.395 -9.835 1.00 2.17 O ATOM 0 H GLU A 23 7.065 0.547 -8.376 1.00 1.18 H new ATOM 0 HA GLU A 23 8.494 3.051 -8.867 1.00 1.08 H new ATOM 0 HB2 GLU A 23 10.516 1.914 -9.483 1.00 1.42 H new ATOM 0 HB3 GLU A 23 10.111 1.513 -7.826 1.00 1.42 H new ATOM 0 HG2 GLU A 23 9.319 -0.717 -8.532 1.00 1.57 H new ATOM 0 HG3 GLU A 23 9.636 -0.321 -10.209 1.00 1.57 H new ATOM 339 N ASN A 24 8.264 2.753 -11.351 1.00 0.91 N ATOM 340 CA ASN A 24 7.769 2.807 -12.716 1.00 0.86 C ATOM 341 C ASN A 24 8.905 2.658 -13.748 1.00 0.80 C ATOM 342 O ASN A 24 9.630 3.625 -13.997 1.00 0.78 O ATOM 343 CB ASN A 24 7.037 4.139 -12.908 1.00 0.85 C ATOM 344 CG ASN A 24 6.336 4.196 -14.252 1.00 0.82 C ATOM 345 OD1 ASN A 24 6.228 3.213 -14.970 1.00 0.88 O ATOM 346 ND2 ASN A 24 5.818 5.348 -14.606 1.00 0.83 N ATOM 0 H ASN A 24 8.891 3.522 -11.114 1.00 0.91 H new ATOM 0 HA ASN A 24 7.088 1.972 -12.880 1.00 0.86 H new ATOM 0 HB2 ASN A 24 6.307 4.274 -12.109 1.00 0.85 H new ATOM 0 HB3 ASN A 24 7.748 4.961 -12.832 1.00 0.85 H new ATOM 0 HD21 ASN A 24 5.317 5.432 -15.491 1.00 0.83 H new ATOM 0 HD22 ASN A 24 5.916 6.160 -13.997 1.00 0.83 H new ATOM 353 N PRO A 25 9.044 1.501 -14.421 1.00 0.82 N ATOM 354 CA PRO A 25 9.977 1.346 -15.536 1.00 0.80 C ATOM 355 C PRO A 25 9.455 1.946 -16.855 1.00 0.82 C ATOM 356 O PRO A 25 10.232 2.076 -17.803 1.00 0.86 O ATOM 357 CB PRO A 25 10.180 -0.170 -15.651 1.00 0.90 C ATOM 358 CG PRO A 25 8.825 -0.731 -15.214 1.00 0.98 C ATOM 359 CD PRO A 25 8.376 0.240 -14.126 1.00 0.93 C ATOM 0 HA PRO A 25 10.905 1.887 -15.351 1.00 0.80 H new ATOM 0 HB2 PRO A 25 10.431 -0.468 -16.669 1.00 0.90 H new ATOM 0 HB3 PRO A 25 10.988 -0.519 -15.008 1.00 0.90 H new ATOM 0 HG2 PRO A 25 8.117 -0.762 -16.042 1.00 0.98 H new ATOM 0 HG3 PRO A 25 8.915 -1.748 -14.833 1.00 0.98 H new ATOM 0 HD2 PRO A 25 7.293 0.360 -14.132 1.00 0.93 H new ATOM 0 HD3 PRO A 25 8.651 -0.126 -13.137 1.00 0.93 H new ATOM 367 N GLY A 26 8.170 2.327 -16.926 1.00 0.88 N ATOM 368 CA GLY A 26 7.505 2.867 -18.115 1.00 0.99 C ATOM 369 C GLY A 26 7.961 4.273 -18.490 1.00 0.82 C ATOM 370 O GLY A 26 8.652 4.954 -17.731 1.00 0.79 O ATOM 0 H GLY A 26 7.544 2.264 -16.123 1.00 0.88 H new ATOM 0 HA2 GLY A 26 7.688 2.199 -18.957 1.00 0.99 H new ATOM 0 HA3 GLY A 26 6.428 2.878 -17.944 1.00 0.99 H new ATOM 374 N ASP A 27 7.663 4.668 -19.721 1.00 0.84 N ATOM 375 CA ASP A 27 7.904 5.993 -20.308 1.00 0.84 C ATOM 376 C ASP A 27 6.841 7.028 -19.893 1.00 0.94 C ATOM 377 O ASP A 27 7.161 8.203 -19.715 1.00 1.34 O ATOM 378 CB ASP A 27 7.908 5.827 -21.838 1.00 1.17 C ATOM 379 CG ASP A 27 6.544 5.380 -22.392 1.00 3.59 C ATOM 380 OD1 ASP A 27 6.008 4.374 -21.861 1.00 4.78 O ATOM 381 OD2 ASP A 27 6.038 6.066 -23.302 1.00 4.98 O ATOM 0 H ASP A 27 7.217 4.035 -20.385 1.00 0.84 H new ATOM 0 HA ASP A 27 8.859 6.372 -19.943 1.00 0.84 H new ATOM 0 HB2 ASP A 27 8.191 6.772 -22.301 1.00 1.17 H new ATOM 0 HB3 ASP A 27 8.666 5.096 -22.118 1.00 1.17 H new ATOM 386 N LEU A 28 5.601 6.575 -19.693 1.00 0.83 N ATOM 387 CA LEU A 28 4.470 7.339 -19.162 1.00 0.95 C ATOM 388 C LEU A 28 4.276 7.068 -17.648 1.00 0.88 C ATOM 389 O LEU A 28 4.853 6.106 -17.133 1.00 0.78 O ATOM 390 CB LEU A 28 3.257 7.056 -20.075 1.00 1.15 C ATOM 391 CG LEU A 28 2.713 5.610 -20.118 1.00 1.25 C ATOM 392 CD1 LEU A 28 1.926 5.234 -18.854 1.00 1.80 C ATOM 393 CD2 LEU A 28 1.779 5.467 -21.331 1.00 1.53 C ATOM 0 H LEU A 28 5.345 5.612 -19.909 1.00 0.83 H new ATOM 0 HA LEU A 28 4.639 8.415 -19.190 1.00 0.95 H new ATOM 0 HB2 LEU A 28 2.443 7.711 -19.765 1.00 1.15 H new ATOM 0 HB3 LEU A 28 3.528 7.343 -21.091 1.00 1.15 H new ATOM 0 HG LEU A 28 3.571 4.942 -20.187 1.00 1.25 H new ATOM 0 HD11 LEU A 28 1.568 4.208 -18.940 1.00 1.80 H new ATOM 0 HD12 LEU A 28 2.575 5.320 -17.982 1.00 1.80 H new ATOM 0 HD13 LEU A 28 1.076 5.907 -18.741 1.00 1.80 H new ATOM 0 HD21 LEU A 28 1.389 4.450 -21.372 1.00 1.53 H new ATOM 0 HD22 LEU A 28 0.951 6.170 -21.238 1.00 1.53 H new ATOM 0 HD23 LEU A 28 2.334 5.680 -22.245 1.00 1.53 H new ATOM 405 N PRO A 29 3.514 7.895 -16.896 1.00 1.01 N ATOM 406 CA PRO A 29 3.402 7.787 -15.439 1.00 1.02 C ATOM 407 C PRO A 29 2.415 6.682 -15.016 1.00 0.97 C ATOM 408 O PRO A 29 1.467 6.381 -15.741 1.00 1.01 O ATOM 409 CB PRO A 29 2.918 9.162 -14.966 1.00 1.22 C ATOM 410 CG PRO A 29 2.076 9.655 -16.139 1.00 1.32 C ATOM 411 CD PRO A 29 2.764 9.052 -17.365 1.00 1.22 C ATOM 0 HA PRO A 29 4.357 7.511 -14.993 1.00 1.02 H new ATOM 0 HB2 PRO A 29 2.331 9.090 -14.051 1.00 1.22 H new ATOM 0 HB3 PRO A 29 3.751 9.833 -14.758 1.00 1.22 H new ATOM 0 HG2 PRO A 29 1.042 9.321 -16.057 1.00 1.32 H new ATOM 0 HG3 PRO A 29 2.056 10.744 -16.187 1.00 1.32 H new ATOM 0 HD2 PRO A 29 2.030 8.759 -18.116 1.00 1.22 H new ATOM 0 HD3 PRO A 29 3.427 9.779 -17.834 1.00 1.22 H new ATOM 419 N LEU A 30 2.582 6.127 -13.806 1.00 0.94 N ATOM 420 CA LEU A 30 1.621 5.197 -13.198 1.00 0.86 C ATOM 421 C LEU A 30 0.718 5.933 -12.229 1.00 0.80 C ATOM 422 O LEU A 30 1.194 6.730 -11.431 1.00 0.93 O ATOM 423 CB LEU A 30 2.302 4.072 -12.415 1.00 0.94 C ATOM 424 CG LEU A 30 3.172 3.194 -13.301 1.00 1.14 C ATOM 425 CD1 LEU A 30 3.744 2.057 -12.462 1.00 2.35 C ATOM 426 CD2 LEU A 30 2.550 2.628 -14.579 1.00 1.39 C ATOM 0 H LEU A 30 3.395 6.313 -13.218 1.00 0.94 H new ATOM 0 HA LEU A 30 1.056 4.766 -14.025 1.00 0.86 H new ATOM 0 HB2 LEU A 30 2.914 4.503 -11.622 1.00 0.94 H new ATOM 0 HB3 LEU A 30 1.542 3.457 -11.933 1.00 0.94 H new ATOM 0 HG LEU A 30 3.935 3.875 -13.677 1.00 1.14 H new ATOM 0 HD11 LEU A 30 4.370 1.421 -13.089 1.00 2.35 H new ATOM 0 HD12 LEU A 30 4.344 2.470 -11.651 1.00 2.35 H new ATOM 0 HD13 LEU A 30 2.928 1.466 -12.046 1.00 2.35 H new ATOM 0 HD21 LEU A 30 3.288 2.023 -15.106 1.00 1.39 H new ATOM 0 HD22 LEU A 30 1.690 2.009 -14.322 1.00 1.39 H new ATOM 0 HD23 LEU A 30 2.228 3.448 -15.221 1.00 1.39 H new ATOM 438 N ARG A 31 -0.552 5.552 -12.225 1.00 0.72 N ATOM 439 CA ARG A 31 -1.560 6.013 -11.251 1.00 0.67 C ATOM 440 C ARG A 31 -2.230 4.816 -10.585 1.00 0.60 C ATOM 441 O ARG A 31 -2.965 4.085 -11.242 1.00 0.59 O ATOM 442 CB ARG A 31 -2.581 6.934 -11.938 1.00 0.71 C ATOM 443 CG ARG A 31 -3.710 7.415 -11.000 1.00 0.63 C ATOM 444 CD ARG A 31 -3.916 8.936 -10.981 1.00 1.25 C ATOM 445 NE ARG A 31 -4.227 9.485 -12.314 1.00 1.31 N ATOM 446 CZ ARG A 31 -3.618 10.500 -12.918 1.00 1.73 C ATOM 447 NH1 ARG A 31 -2.677 11.221 -12.357 1.00 2.72 N ATOM 448 NH2 ARG A 31 -3.959 10.817 -14.149 1.00 2.65 N ATOM 0 H ARG A 31 -0.930 4.898 -12.911 1.00 0.72 H new ATOM 0 HA ARG A 31 -1.070 6.594 -10.470 1.00 0.67 H new ATOM 0 HB2 ARG A 31 -2.060 7.803 -12.341 1.00 0.71 H new ATOM 0 HB3 ARG A 31 -3.023 6.406 -12.783 1.00 0.71 H new ATOM 0 HG2 ARG A 31 -4.643 6.938 -11.301 1.00 0.63 H new ATOM 0 HG3 ARG A 31 -3.492 7.078 -9.987 1.00 0.63 H new ATOM 0 HD2 ARG A 31 -4.726 9.180 -10.294 1.00 1.25 H new ATOM 0 HD3 ARG A 31 -3.016 9.416 -10.596 1.00 1.25 H new ATOM 0 HE ARG A 31 -4.989 9.039 -12.825 1.00 1.31 H new ATOM 0 HH11 ARG A 31 -2.375 11.014 -11.405 1.00 2.72 H new ATOM 0 HH12 ARG A 31 -2.247 11.989 -12.873 1.00 2.72 H new ATOM 0 HH21 ARG A 31 -4.684 10.285 -14.630 1.00 2.65 H new ATOM 0 HH22 ARG A 31 -3.498 11.594 -14.622 1.00 2.65 H new ATOM 462 N LEU A 32 -1.946 4.605 -9.301 1.00 0.58 N ATOM 463 CA LEU A 32 -2.406 3.486 -8.479 1.00 0.52 C ATOM 464 C LEU A 32 -3.744 3.840 -7.824 1.00 0.48 C ATOM 465 O LEU A 32 -3.817 4.805 -7.079 1.00 0.54 O ATOM 466 CB LEU A 32 -1.318 3.219 -7.421 1.00 0.60 C ATOM 467 CG LEU A 32 -1.662 2.096 -6.421 1.00 0.62 C ATOM 468 CD1 LEU A 32 -1.484 0.726 -7.078 1.00 0.66 C ATOM 469 CD2 LEU A 32 -0.762 2.196 -5.184 1.00 0.93 C ATOM 0 H LEU A 32 -1.354 5.248 -8.775 1.00 0.58 H new ATOM 0 HA LEU A 32 -2.566 2.591 -9.080 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -0.389 2.963 -7.930 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -1.135 4.139 -6.866 1.00 0.60 H new ATOM 0 HG LEU A 32 -2.702 2.211 -6.117 1.00 0.62 H new ATOM 0 HD11 LEU A 32 -1.730 -0.056 -6.360 1.00 0.66 H new ATOM 0 HD12 LEU A 32 -2.145 0.648 -7.941 1.00 0.66 H new ATOM 0 HD13 LEU A 32 -0.450 0.609 -7.401 1.00 0.66 H new ATOM 0 HD21 LEU A 32 -1.014 1.398 -4.485 1.00 0.93 H new ATOM 0 HD22 LEU A 32 0.281 2.099 -5.484 1.00 0.93 H new ATOM 0 HD23 LEU A 32 -0.913 3.162 -4.702 1.00 0.93 H new ATOM 481 N VAL A 33 -4.781 3.045 -8.051 1.00 0.47 N ATOM 482 CA VAL A 33 -6.166 3.342 -7.629 1.00 0.46 C ATOM 483 C VAL A 33 -6.734 2.320 -6.629 1.00 0.44 C ATOM 484 O VAL A 33 -7.826 2.515 -6.096 1.00 0.47 O ATOM 485 CB VAL A 33 -7.099 3.489 -8.859 1.00 0.51 C ATOM 486 CG1 VAL A 33 -6.625 4.622 -9.794 1.00 0.62 C ATOM 487 CG2 VAL A 33 -7.205 2.202 -9.699 1.00 0.54 C ATOM 0 H VAL A 33 -4.694 2.155 -8.542 1.00 0.47 H new ATOM 0 HA VAL A 33 -6.124 4.294 -7.099 1.00 0.46 H new ATOM 0 HB VAL A 33 -8.079 3.718 -8.441 1.00 0.51 H new ATOM 0 HG11 VAL A 33 -7.301 4.698 -10.646 1.00 0.62 H new ATOM 0 HG12 VAL A 33 -6.621 5.566 -9.249 1.00 0.62 H new ATOM 0 HG13 VAL A 33 -5.618 4.404 -10.149 1.00 0.62 H new ATOM 0 HG21 VAL A 33 -7.872 2.373 -10.544 1.00 0.54 H new ATOM 0 HG22 VAL A 33 -6.217 1.925 -10.067 1.00 0.54 H new ATOM 0 HG23 VAL A 33 -7.601 1.396 -9.081 1.00 0.54 H new ATOM 497 N GLY A 34 -6.003 1.229 -6.360 1.00 0.48 N ATOM 498 CA GLY A 34 -6.365 0.202 -5.388 1.00 0.51 C ATOM 499 C GLY A 34 -5.380 -0.962 -5.415 1.00 0.52 C ATOM 500 O GLY A 34 -4.295 -0.858 -5.989 1.00 0.54 O ATOM 0 H GLY A 34 -5.118 1.036 -6.830 1.00 0.48 H new ATOM 0 HA2 GLY A 34 -6.389 0.637 -4.389 1.00 0.51 H new ATOM 0 HA3 GLY A 34 -7.369 -0.164 -5.601 1.00 0.51 H new ATOM 504 N ALA A 35 -5.780 -2.087 -4.830 1.00 0.57 N ATOM 505 CA ALA A 35 -5.117 -3.387 -4.946 1.00 0.56 C ATOM 506 C ALA A 35 -6.121 -4.529 -4.692 1.00 0.61 C ATOM 507 O ALA A 35 -7.304 -4.261 -4.480 1.00 0.75 O ATOM 508 CB ALA A 35 -3.895 -3.453 -4.028 1.00 0.68 C ATOM 0 H ALA A 35 -6.609 -2.122 -4.237 1.00 0.57 H new ATOM 0 HA ALA A 35 -4.749 -3.513 -5.964 1.00 0.56 H new ATOM 0 HB1 ALA A 35 -3.416 -4.427 -4.129 1.00 0.68 H new ATOM 0 HB2 ALA A 35 -3.188 -2.671 -4.306 1.00 0.68 H new ATOM 0 HB3 ALA A 35 -4.208 -3.308 -2.994 1.00 0.68 H new ATOM 514 N ARG A 36 -5.660 -5.783 -4.674 1.00 0.59 N ATOM 515 CA ARG A 36 -6.433 -6.963 -4.249 1.00 0.60 C ATOM 516 C ARG A 36 -5.462 -8.059 -3.805 1.00 0.58 C ATOM 517 O ARG A 36 -4.425 -8.237 -4.438 1.00 0.70 O ATOM 518 CB ARG A 36 -7.414 -7.440 -5.349 1.00 0.83 C ATOM 519 CG ARG A 36 -6.719 -7.966 -6.615 1.00 1.55 C ATOM 520 CD ARG A 36 -7.676 -8.387 -7.738 1.00 2.53 C ATOM 521 NE ARG A 36 -6.948 -9.022 -8.859 1.00 4.01 N ATOM 522 CZ ARG A 36 -7.454 -9.519 -9.983 1.00 4.95 C ATOM 523 NH1 ARG A 36 -8.746 -9.507 -10.256 1.00 4.95 N ATOM 524 NH2 ARG A 36 -6.624 -10.039 -10.858 1.00 6.45 N ATOM 0 H ARG A 36 -4.710 -6.017 -4.963 1.00 0.59 H new ATOM 0 HA ARG A 36 -7.063 -6.696 -3.401 1.00 0.60 H new ATOM 0 HB2 ARG A 36 -8.048 -8.227 -4.941 1.00 0.83 H new ATOM 0 HB3 ARG A 36 -8.069 -6.613 -5.622 1.00 0.83 H new ATOM 0 HG2 ARG A 36 -6.051 -7.193 -6.995 1.00 1.55 H new ATOM 0 HG3 ARG A 36 -6.098 -8.820 -6.345 1.00 1.55 H new ATOM 0 HD2 ARG A 36 -8.418 -9.082 -7.344 1.00 2.53 H new ATOM 0 HD3 ARG A 36 -8.218 -7.514 -8.102 1.00 2.53 H new ATOM 0 HE ARG A 36 -5.935 -9.086 -8.757 1.00 4.01 H new ATOM 0 HH11 ARG A 36 -9.404 -9.103 -9.590 1.00 4.95 H new ATOM 0 HH12 ARG A 36 -9.086 -9.901 -11.133 1.00 4.95 H new ATOM 0 HH21 ARG A 36 -5.623 -10.053 -10.665 1.00 6.45 H new ATOM 0 HH22 ARG A 36 -6.981 -10.429 -11.730 1.00 6.45 H new ATOM 538 N THR A 37 -5.768 -8.785 -2.728 1.00 0.55 N ATOM 539 CA THR A 37 -4.882 -9.784 -2.100 1.00 0.59 C ATOM 540 C THR A 37 -5.732 -10.986 -1.672 1.00 0.63 C ATOM 541 O THR A 37 -6.872 -10.754 -1.268 1.00 0.69 O ATOM 542 CB THR A 37 -4.139 -9.155 -0.923 1.00 0.64 C ATOM 543 OG1 THR A 37 -3.263 -10.116 -0.398 1.00 0.74 O ATOM 544 CG2 THR A 37 -5.005 -8.623 0.216 1.00 0.64 C ATOM 0 H THR A 37 -6.664 -8.696 -2.250 1.00 0.55 H new ATOM 0 HA THR A 37 -4.126 -10.129 -2.806 1.00 0.59 H new ATOM 0 HB THR A 37 -3.637 -8.279 -1.333 1.00 0.64 H new ATOM 0 HG1 THR A 37 -2.495 -10.221 -0.997 1.00 0.74 H new ATOM 0 HG21 THR A 37 -4.366 -8.201 0.992 1.00 0.64 H new ATOM 0 HG22 THR A 37 -5.672 -7.850 -0.165 1.00 0.64 H new ATOM 0 HG23 THR A 37 -5.595 -9.438 0.635 1.00 0.64 H new ATOM 552 N PRO A 38 -5.239 -12.242 -1.704 1.00 0.66 N ATOM 553 CA PRO A 38 -6.024 -13.408 -1.289 1.00 0.66 C ATOM 554 C PRO A 38 -6.305 -13.469 0.215 1.00 0.67 C ATOM 555 O PRO A 38 -7.132 -14.269 0.642 1.00 0.85 O ATOM 556 CB PRO A 38 -5.199 -14.615 -1.730 1.00 0.78 C ATOM 557 CG PRO A 38 -3.760 -14.115 -1.720 1.00 0.80 C ATOM 558 CD PRO A 38 -3.926 -12.671 -2.178 1.00 0.80 C ATOM 0 HA PRO A 38 -7.014 -13.370 -1.744 1.00 0.66 H new ATOM 0 HB2 PRO A 38 -5.332 -15.457 -1.050 1.00 0.78 H new ATOM 0 HB3 PRO A 38 -5.494 -14.957 -2.722 1.00 0.78 H new ATOM 0 HG2 PRO A 38 -3.312 -14.180 -0.729 1.00 0.80 H new ATOM 0 HG3 PRO A 38 -3.124 -14.687 -2.395 1.00 0.80 H new ATOM 0 HD2 PRO A 38 -3.138 -12.039 -1.767 1.00 0.80 H new ATOM 0 HD3 PRO A 38 -3.861 -12.597 -3.264 1.00 0.80 H new ATOM 566 N VAL A 39 -5.607 -12.647 1.002 1.00 0.66 N ATOM 567 CA VAL A 39 -5.700 -12.631 2.476 1.00 0.76 C ATOM 568 C VAL A 39 -6.724 -11.645 3.058 1.00 0.78 C ATOM 569 O VAL A 39 -6.890 -11.652 4.274 1.00 0.97 O ATOM 570 CB VAL A 39 -4.316 -12.390 3.139 1.00 0.85 C ATOM 571 CG1 VAL A 39 -3.243 -13.301 2.516 1.00 0.90 C ATOM 572 CG2 VAL A 39 -3.876 -10.917 3.040 1.00 0.86 C ATOM 0 H VAL A 39 -4.949 -11.960 0.634 1.00 0.66 H new ATOM 0 HA VAL A 39 -6.065 -13.629 2.720 1.00 0.76 H new ATOM 0 HB VAL A 39 -4.424 -12.637 4.195 1.00 0.85 H new ATOM 0 HG11 VAL A 39 -2.283 -13.114 2.997 1.00 0.90 H new ATOM 0 HG12 VAL A 39 -3.523 -14.344 2.660 1.00 0.90 H new ATOM 0 HG13 VAL A 39 -3.162 -13.091 1.450 1.00 0.90 H new ATOM 0 HG21 VAL A 39 -2.903 -10.795 3.517 1.00 0.86 H new ATOM 0 HG22 VAL A 39 -3.805 -10.628 1.991 1.00 0.86 H new ATOM 0 HG23 VAL A 39 -4.608 -10.284 3.542 1.00 0.86 H new ATOM 582 N ALA A 40 -7.411 -10.811 2.264 1.00 0.66 N ATOM 583 CA ALA A 40 -8.287 -9.749 2.787 1.00 0.65 C ATOM 584 C ALA A 40 -9.592 -9.606 1.990 1.00 0.69 C ATOM 585 O ALA A 40 -9.609 -9.835 0.782 1.00 0.90 O ATOM 586 CB ALA A 40 -7.515 -8.424 2.818 1.00 0.75 C ATOM 0 H ALA A 40 -7.376 -10.852 1.245 1.00 0.66 H new ATOM 0 HA ALA A 40 -8.581 -10.028 3.799 1.00 0.65 H new ATOM 0 HB1 ALA A 40 -8.161 -7.636 3.205 1.00 0.75 H new ATOM 0 HB2 ALA A 40 -6.642 -8.527 3.462 1.00 0.75 H new ATOM 0 HB3 ALA A 40 -7.193 -8.167 1.809 1.00 0.75 H new ATOM 592 N GLU A 41 -10.672 -9.229 2.678 1.00 0.81 N ATOM 593 CA GLU A 41 -12.007 -8.997 2.117 1.00 0.98 C ATOM 594 C GLU A 41 -12.116 -7.580 1.539 1.00 1.02 C ATOM 595 O GLU A 41 -12.478 -7.389 0.381 1.00 1.54 O ATOM 596 CB GLU A 41 -13.049 -9.213 3.236 1.00 1.06 C ATOM 597 CG GLU A 41 -14.446 -9.535 2.692 1.00 1.37 C ATOM 598 CD GLU A 41 -14.444 -10.902 2.013 1.00 2.07 C ATOM 599 OE1 GLU A 41 -14.030 -11.893 2.660 1.00 3.10 O ATOM 600 OE2 GLU A 41 -14.685 -10.979 0.789 1.00 2.48 O ATOM 0 H GLU A 41 -10.640 -9.070 3.685 1.00 0.81 H new ATOM 0 HA GLU A 41 -12.191 -9.696 1.301 1.00 0.98 H new ATOM 0 HB2 GLU A 41 -12.719 -10.027 3.882 1.00 1.06 H new ATOM 0 HB3 GLU A 41 -13.102 -8.317 3.855 1.00 1.06 H new ATOM 0 HG2 GLU A 41 -15.172 -9.525 3.505 1.00 1.37 H new ATOM 0 HG3 GLU A 41 -14.753 -8.768 1.981 1.00 1.37 H new ATOM 607 N ARG A 42 -11.746 -6.579 2.344 1.00 0.83 N ATOM 608 CA ARG A 42 -11.586 -5.190 1.919 1.00 0.88 C ATOM 609 C ARG A 42 -10.106 -4.793 1.961 1.00 0.83 C ATOM 610 O ARG A 42 -9.385 -5.119 2.903 1.00 1.17 O ATOM 611 CB ARG A 42 -12.424 -4.272 2.823 1.00 1.07 C ATOM 612 CG ARG A 42 -12.551 -2.863 2.218 1.00 1.20 C ATOM 613 CD ARG A 42 -13.138 -1.820 3.169 1.00 1.46 C ATOM 614 NE ARG A 42 -14.516 -2.125 3.583 1.00 1.84 N ATOM 615 CZ ARG A 42 -15.335 -1.257 4.168 1.00 2.51 C ATOM 616 NH1 ARG A 42 -14.961 -0.031 4.477 1.00 2.99 N ATOM 617 NH2 ARG A 42 -16.566 -1.635 4.451 1.00 3.48 N ATOM 0 H ARG A 42 -11.545 -6.719 3.334 1.00 0.83 H new ATOM 0 HA ARG A 42 -11.938 -5.083 0.893 1.00 0.88 H new ATOM 0 HB2 ARG A 42 -13.416 -4.702 2.963 1.00 1.07 H new ATOM 0 HB3 ARG A 42 -11.963 -4.208 3.808 1.00 1.07 H new ATOM 0 HG2 ARG A 42 -11.565 -2.529 1.895 1.00 1.20 H new ATOM 0 HG3 ARG A 42 -13.177 -2.918 1.327 1.00 1.20 H new ATOM 0 HD2 ARG A 42 -12.507 -1.749 4.055 1.00 1.46 H new ATOM 0 HD3 ARG A 42 -13.119 -0.844 2.684 1.00 1.46 H new ATOM 0 HE ARG A 42 -14.867 -3.067 3.409 1.00 1.84 H new ATOM 0 HH11 ARG A 42 -14.013 0.281 4.267 1.00 2.99 H new ATOM 0 HH12 ARG A 42 -15.620 0.605 4.926 1.00 2.99 H new ATOM 0 HH21 ARG A 42 -16.875 -2.579 4.221 1.00 3.48 H new ATOM 0 HH22 ARG A 42 -17.209 -0.983 4.900 1.00 3.48 H new ATOM 631 N VAL A 43 -9.694 -4.015 0.966 1.00 0.65 N ATOM 632 CA VAL A 43 -8.485 -3.186 0.990 1.00 0.70 C ATOM 633 C VAL A 43 -8.853 -1.749 0.593 1.00 0.73 C ATOM 634 O VAL A 43 -9.630 -1.546 -0.338 1.00 0.90 O ATOM 635 CB VAL A 43 -7.355 -3.784 0.115 1.00 1.00 C ATOM 636 CG1 VAL A 43 -7.781 -4.138 -1.318 1.00 1.25 C ATOM 637 CG2 VAL A 43 -6.133 -2.857 0.055 1.00 1.10 C ATOM 0 H VAL A 43 -10.208 -3.939 0.088 1.00 0.65 H new ATOM 0 HA VAL A 43 -8.081 -3.167 2.002 1.00 0.70 H new ATOM 0 HB VAL A 43 -7.096 -4.717 0.615 1.00 1.00 H new ATOM 0 HG11 VAL A 43 -6.929 -4.550 -1.859 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -8.583 -4.876 -1.287 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -8.133 -3.240 -1.825 1.00 1.25 H new ATOM 0 HG21 VAL A 43 -5.362 -3.311 -0.568 1.00 1.10 H new ATOM 0 HG22 VAL A 43 -6.425 -1.897 -0.371 1.00 1.10 H new ATOM 0 HG23 VAL A 43 -5.743 -2.704 1.061 1.00 1.10 H new ATOM 647 N GLU A 44 -8.301 -0.768 1.311 1.00 0.71 N ATOM 648 CA GLU A 44 -8.436 0.675 1.061 1.00 0.69 C ATOM 649 C GLU A 44 -7.035 1.304 1.037 1.00 0.65 C ATOM 650 O GLU A 44 -6.258 1.055 1.957 1.00 0.66 O ATOM 651 CB GLU A 44 -9.221 1.345 2.207 1.00 0.73 C ATOM 652 CG GLU A 44 -10.677 0.879 2.369 1.00 0.85 C ATOM 653 CD GLU A 44 -11.394 1.530 3.563 1.00 1.18 C ATOM 654 OE1 GLU A 44 -10.860 2.514 4.129 1.00 2.19 O ATOM 655 OE2 GLU A 44 -12.490 1.025 3.905 1.00 2.17 O ATOM 0 H GLU A 44 -7.718 -0.965 2.124 1.00 0.71 H new ATOM 0 HA GLU A 44 -8.958 0.820 0.115 1.00 0.69 H new ATOM 0 HB2 GLU A 44 -8.692 1.162 3.142 1.00 0.73 H new ATOM 0 HB3 GLU A 44 -9.218 2.423 2.045 1.00 0.73 H new ATOM 0 HG2 GLU A 44 -11.228 1.105 1.456 1.00 0.85 H new ATOM 0 HG3 GLU A 44 -10.693 -0.204 2.491 1.00 0.85 H new ATOM 662 N LEU A 45 -6.677 2.131 0.044 1.00 0.63 N ATOM 663 CA LEU A 45 -5.455 2.919 0.119 1.00 0.63 C ATOM 664 C LEU A 45 -5.692 4.195 0.929 1.00 0.61 C ATOM 665 O LEU A 45 -6.558 5.009 0.594 1.00 0.63 O ATOM 666 CB LEU A 45 -4.942 3.182 -1.302 1.00 0.66 C ATOM 667 CG LEU A 45 -3.456 3.573 -1.293 1.00 0.68 C ATOM 668 CD1 LEU A 45 -2.829 3.213 -2.626 1.00 0.66 C ATOM 669 CD2 LEU A 45 -3.224 5.069 -1.142 1.00 0.81 C ATOM 0 H LEU A 45 -7.217 2.266 -0.811 1.00 0.63 H new ATOM 0 HA LEU A 45 -4.676 2.371 0.649 1.00 0.63 H new ATOM 0 HB2 LEU A 45 -5.082 2.290 -1.913 1.00 0.66 H new ATOM 0 HB3 LEU A 45 -5.528 3.978 -1.761 1.00 0.66 H new ATOM 0 HG LEU A 45 -3.023 3.042 -0.445 1.00 0.68 H new ATOM 0 HD11 LEU A 45 -1.775 3.491 -2.619 1.00 0.66 H new ATOM 0 HD12 LEU A 45 -2.921 2.140 -2.793 1.00 0.66 H new ATOM 0 HD13 LEU A 45 -3.340 3.750 -3.425 1.00 0.66 H new ATOM 0 HD21 LEU A 45 -2.153 5.273 -1.144 1.00 0.81 H new ATOM 0 HD22 LEU A 45 -3.695 5.596 -1.972 1.00 0.81 H new ATOM 0 HD23 LEU A 45 -3.657 5.411 -0.202 1.00 0.81 H new ATOM 681 N HIS A 46 -4.896 4.371 1.978 1.00 0.59 N ATOM 682 CA HIS A 46 -4.882 5.532 2.860 1.00 0.60 C ATOM 683 C HIS A 46 -3.631 6.417 2.647 1.00 0.62 C ATOM 684 O HIS A 46 -2.580 5.948 2.202 1.00 0.61 O ATOM 685 CB HIS A 46 -5.003 5.077 4.331 1.00 0.62 C ATOM 686 CG HIS A 46 -6.338 4.533 4.814 1.00 0.61 C ATOM 687 ND1 HIS A 46 -6.713 4.484 6.160 1.00 0.67 N ATOM 688 CD2 HIS A 46 -7.382 4.057 4.071 1.00 0.62 C ATOM 689 CE1 HIS A 46 -7.939 3.937 6.188 1.00 0.69 C ATOM 690 NE2 HIS A 46 -8.371 3.670 4.948 1.00 0.64 N ATOM 0 H HIS A 46 -4.207 3.670 2.250 1.00 0.59 H new ATOM 0 HA HIS A 46 -5.743 6.152 2.609 1.00 0.60 H new ATOM 0 HB2 HIS A 46 -4.250 4.308 4.503 1.00 0.62 H new ATOM 0 HB3 HIS A 46 -4.743 5.926 4.963 1.00 0.62 H new ATOM 0 HD2 HIS A 46 -7.424 3.996 2.994 1.00 0.62 H new ATOM 0 HE1 HIS A 46 -8.501 3.739 7.089 1.00 0.69 H new ATOM 0 HE2 HIS A 46 -9.269 3.255 4.699 1.00 0.64 H new ATOM 698 N GLU A 47 -3.766 7.699 2.996 1.00 0.66 N ATOM 699 CA GLU A 47 -2.685 8.686 3.151 1.00 0.69 C ATOM 700 C GLU A 47 -2.211 8.780 4.618 1.00 0.57 C ATOM 701 O GLU A 47 -2.679 8.042 5.489 1.00 0.56 O ATOM 702 CB GLU A 47 -3.149 10.071 2.636 1.00 0.94 C ATOM 703 CG GLU A 47 -4.335 10.632 3.446 1.00 1.06 C ATOM 704 CD GLU A 47 -4.708 12.088 3.166 1.00 1.41 C ATOM 705 OE1 GLU A 47 -4.025 12.761 2.371 1.00 1.56 O ATOM 706 OE2 GLU A 47 -5.706 12.541 3.773 1.00 2.92 O ATOM 0 H GLU A 47 -4.683 8.102 3.190 1.00 0.66 H new ATOM 0 HA GLU A 47 -1.836 8.354 2.553 1.00 0.69 H new ATOM 0 HB2 GLU A 47 -2.315 10.772 2.685 1.00 0.94 H new ATOM 0 HB3 GLU A 47 -3.435 9.989 1.587 1.00 0.94 H new ATOM 0 HG2 GLU A 47 -5.209 10.010 3.252 1.00 1.06 H new ATOM 0 HG3 GLU A 47 -4.104 10.534 4.507 1.00 1.06 H new ATOM 713 N THR A 48 -1.314 9.728 4.914 1.00 0.82 N ATOM 714 CA THR A 48 -0.958 10.163 6.273 1.00 0.87 C ATOM 715 C THR A 48 -0.658 11.657 6.258 1.00 1.10 C ATOM 716 O THR A 48 0.492 12.084 6.174 1.00 1.40 O ATOM 717 CB THR A 48 0.206 9.370 6.857 1.00 0.97 C ATOM 718 OG1 THR A 48 -0.019 8.007 6.615 1.00 0.96 O ATOM 719 CG2 THR A 48 0.303 9.587 8.367 1.00 1.09 C ATOM 0 H THR A 48 -0.798 10.231 4.192 1.00 0.82 H new ATOM 0 HA THR A 48 -1.809 9.968 6.926 1.00 0.87 H new ATOM 0 HB THR A 48 1.133 9.704 6.391 1.00 0.97 H new ATOM 0 HG1 THR A 48 0.432 7.474 7.303 1.00 0.96 H new ATOM 0 HG21 THR A 48 1.140 9.012 8.764 1.00 1.09 H new ATOM 0 HG22 THR A 48 0.459 10.646 8.573 1.00 1.09 H new ATOM 0 HG23 THR A 48 -0.621 9.258 8.842 1.00 1.09 H new ATOM 727 N PHE A 49 -1.720 12.458 6.277 1.00 1.31 N ATOM 728 CA PHE A 49 -1.646 13.904 6.116 1.00 1.44 C ATOM 729 C PHE A 49 -1.010 14.580 7.334 1.00 1.27 C ATOM 730 O PHE A 49 -1.248 14.211 8.479 1.00 1.29 O ATOM 731 CB PHE A 49 -3.040 14.471 5.816 1.00 1.55 C ATOM 732 CG PHE A 49 -4.068 14.229 6.909 1.00 1.40 C ATOM 733 CD1 PHE A 49 -4.121 15.088 8.020 1.00 2.43 C ATOM 734 CD2 PHE A 49 -4.920 13.113 6.865 1.00 2.12 C ATOM 735 CE1 PHE A 49 -5.022 14.854 9.065 1.00 2.49 C ATOM 736 CE2 PHE A 49 -5.818 12.869 7.915 1.00 2.07 C ATOM 737 CZ PHE A 49 -5.881 13.745 9.008 1.00 1.43 C ATOM 0 H PHE A 49 -2.671 12.113 6.407 1.00 1.31 H new ATOM 0 HA PHE A 49 -0.997 14.121 5.268 1.00 1.44 H new ATOM 0 HB2 PHE A 49 -2.953 15.544 5.648 1.00 1.55 H new ATOM 0 HB3 PHE A 49 -3.405 14.031 4.888 1.00 1.55 H new ATOM 0 HD1 PHE A 49 -3.458 15.939 8.068 1.00 2.43 H new ATOM 0 HD2 PHE A 49 -4.884 12.441 6.020 1.00 2.12 H new ATOM 0 HE1 PHE A 49 -5.056 15.524 9.912 1.00 2.49 H new ATOM 0 HE2 PHE A 49 -6.463 12.003 7.881 1.00 2.07 H new ATOM 0 HZ PHE A 49 -6.589 13.567 9.804 1.00 1.43 H new ATOM 747 N MET A 50 -0.240 15.631 7.068 1.00 1.20 N ATOM 748 CA MET A 50 0.602 16.357 8.038 1.00 1.17 C ATOM 749 C MET A 50 0.015 17.737 8.363 1.00 1.25 C ATOM 750 O MET A 50 0.714 18.738 8.538 1.00 2.57 O ATOM 751 CB MET A 50 2.023 16.438 7.472 1.00 1.74 C ATOM 752 CG MET A 50 2.617 15.029 7.401 1.00 2.95 C ATOM 753 SD MET A 50 4.082 14.842 6.352 1.00 4.08 S ATOM 754 CE MET A 50 5.084 16.222 6.954 1.00 3.28 C ATOM 0 H MET A 50 -0.177 16.025 6.129 1.00 1.20 H new ATOM 0 HA MET A 50 0.632 15.821 8.987 1.00 1.17 H new ATOM 0 HB2 MET A 50 2.007 16.889 6.480 1.00 1.74 H new ATOM 0 HB3 MET A 50 2.643 17.076 8.102 1.00 1.74 H new ATOM 0 HG2 MET A 50 2.875 14.713 8.412 1.00 2.95 H new ATOM 0 HG3 MET A 50 1.846 14.348 7.040 1.00 2.95 H new ATOM 0 HE1 MET A 50 6.095 16.138 6.556 1.00 3.28 H new ATOM 0 HE2 MET A 50 4.642 17.163 6.626 1.00 3.28 H new ATOM 0 HE3 MET A 50 5.120 16.198 8.043 1.00 3.28 H new ATOM 764 N ARG A 51 -1.313 17.772 8.378 1.00 1.29 N ATOM 765 CA ARG A 51 -2.133 18.992 8.397 1.00 1.33 C ATOM 766 C ARG A 51 -2.021 19.704 9.756 1.00 1.31 C ATOM 767 O ARG A 51 -1.724 19.084 10.778 1.00 1.34 O ATOM 768 CB ARG A 51 -3.604 18.648 8.049 1.00 1.49 C ATOM 769 CG ARG A 51 -4.466 19.851 7.605 1.00 2.50 C ATOM 770 CD ARG A 51 -5.979 19.629 7.794 1.00 3.00 C ATOM 771 NE ARG A 51 -6.709 20.903 7.606 1.00 4.30 N ATOM 772 CZ ARG A 51 -6.944 21.822 8.545 1.00 5.80 C ATOM 773 NH1 ARG A 51 -6.796 21.598 9.825 1.00 6.64 N ATOM 774 NH2 ARG A 51 -7.297 23.049 8.238 1.00 7.02 N ATOM 0 H ARG A 51 -1.876 16.921 8.377 1.00 1.29 H new ATOM 0 HA ARG A 51 -1.760 19.682 7.640 1.00 1.33 H new ATOM 0 HB2 ARG A 51 -3.609 17.903 7.254 1.00 1.49 H new ATOM 0 HB3 ARG A 51 -4.070 18.188 8.920 1.00 1.49 H new ATOM 0 HG2 ARG A 51 -4.163 20.732 8.170 1.00 2.50 H new ATOM 0 HG3 ARG A 51 -4.267 20.062 6.554 1.00 2.50 H new ATOM 0 HD2 ARG A 51 -6.337 18.887 7.080 1.00 3.00 H new ATOM 0 HD3 ARG A 51 -6.174 19.233 8.791 1.00 3.00 H new ATOM 0 HE ARG A 51 -7.066 21.097 6.670 1.00 4.30 H new ATOM 0 HH11 ARG A 51 -6.486 20.682 10.150 1.00 6.64 H new ATOM 0 HH12 ARG A 51 -6.991 22.339 10.498 1.00 6.64 H new ATOM 0 HH21 ARG A 51 -7.398 23.321 7.260 1.00 7.02 H new ATOM 0 HH22 ARG A 51 -7.470 23.730 8.977 1.00 7.02 H new ATOM 788 N GLU A 52 -2.301 21.006 9.754 1.00 1.37 N ATOM 789 CA GLU A 52 -2.933 21.707 10.879 1.00 1.46 C ATOM 790 C GLU A 52 -4.157 20.902 11.398 1.00 1.68 C ATOM 791 O GLU A 52 -4.701 20.068 10.672 1.00 2.16 O ATOM 792 CB GLU A 52 -3.250 23.125 10.361 1.00 1.99 C ATOM 793 CG GLU A 52 -3.825 24.086 11.382 1.00 3.18 C ATOM 794 CD GLU A 52 -5.336 24.005 11.523 1.00 5.55 C ATOM 795 OE1 GLU A 52 -6.057 24.137 10.509 1.00 6.84 O ATOM 796 OE2 GLU A 52 -5.744 23.690 12.654 1.00 6.61 O ATOM 0 H GLU A 52 -2.094 21.615 8.962 1.00 1.37 H new ATOM 0 HA GLU A 52 -2.291 21.794 11.755 1.00 1.46 H new ATOM 0 HB2 GLU A 52 -2.334 23.558 9.958 1.00 1.99 H new ATOM 0 HB3 GLU A 52 -3.954 23.040 9.533 1.00 1.99 H new ATOM 0 HG2 GLU A 52 -3.368 23.886 12.351 1.00 3.18 H new ATOM 0 HG3 GLU A 52 -3.550 25.103 11.104 1.00 3.18 H new ATOM 803 N VAL A 53 -4.601 21.138 12.631 1.00 1.69 N ATOM 804 CA VAL A 53 -5.750 20.487 13.292 1.00 2.14 C ATOM 805 C VAL A 53 -6.251 21.253 14.530 1.00 2.44 C ATOM 806 O VAL A 53 -7.436 21.245 14.848 1.00 3.62 O ATOM 807 CB VAL A 53 -5.451 19.004 13.580 1.00 2.42 C ATOM 808 CG1 VAL A 53 -4.609 18.820 14.837 1.00 3.09 C ATOM 809 CG2 VAL A 53 -6.731 18.158 13.650 1.00 2.73 C ATOM 0 H VAL A 53 -4.150 21.825 13.236 1.00 1.69 H new ATOM 0 HA VAL A 53 -6.584 20.519 12.591 1.00 2.14 H new ATOM 0 HB VAL A 53 -4.864 18.644 12.735 1.00 2.42 H new ATOM 0 HG11 VAL A 53 -4.424 17.758 14.999 1.00 3.09 H new ATOM 0 HG12 VAL A 53 -3.658 19.340 14.717 1.00 3.09 H new ATOM 0 HG13 VAL A 53 -5.142 19.230 15.695 1.00 3.09 H new ATOM 0 HG21 VAL A 53 -6.470 17.120 13.855 1.00 2.73 H new ATOM 0 HG22 VAL A 53 -7.373 18.535 14.446 1.00 2.73 H new ATOM 0 HG23 VAL A 53 -7.259 18.218 12.699 1.00 2.73 H new ATOM 819 N GLU A 54 -5.319 21.949 15.180 1.00 2.13 N ATOM 820 CA GLU A 54 -5.511 22.922 16.263 1.00 2.18 C ATOM 821 C GLU A 54 -4.476 24.067 16.112 1.00 1.98 C ATOM 822 O GLU A 54 -3.777 24.427 17.060 1.00 2.06 O ATOM 823 CB GLU A 54 -5.294 22.225 17.616 1.00 2.32 C ATOM 824 CG GLU A 54 -6.234 21.090 18.031 1.00 3.76 C ATOM 825 CD GLU A 54 -5.621 20.446 19.271 1.00 3.92 C ATOM 826 OE1 GLU A 54 -5.654 21.063 20.358 1.00 3.64 O ATOM 827 OE2 GLU A 54 -4.862 19.463 19.137 1.00 4.71 O ATOM 0 H GLU A 54 -4.332 21.841 14.947 1.00 2.13 H new ATOM 0 HA GLU A 54 -6.521 23.328 16.214 1.00 2.18 H new ATOM 0 HB2 GLU A 54 -4.279 21.829 17.622 1.00 2.32 H new ATOM 0 HB3 GLU A 54 -5.342 22.990 18.391 1.00 2.32 H new ATOM 0 HG2 GLU A 54 -7.232 21.473 18.246 1.00 3.76 H new ATOM 0 HG3 GLU A 54 -6.339 20.361 17.228 1.00 3.76 H new ATOM 834 N GLY A 55 -4.198 24.495 14.872 1.00 1.93 N ATOM 835 CA GLY A 55 -2.988 25.250 14.473 1.00 2.01 C ATOM 836 C GLY A 55 -1.702 24.409 14.518 1.00 1.98 C ATOM 837 O GLY A 55 -0.825 24.542 13.663 1.00 2.55 O ATOM 0 H GLY A 55 -4.827 24.322 14.088 1.00 1.93 H new ATOM 0 HA2 GLY A 55 -3.126 25.636 13.463 1.00 2.01 H new ATOM 0 HA3 GLY A 55 -2.873 26.112 15.130 1.00 2.01 H new ATOM 841 N LYS A 56 -1.614 23.473 15.462 1.00 1.54 N ATOM 842 CA LYS A 56 -0.593 22.436 15.568 1.00 1.66 C ATOM 843 C LYS A 56 -0.635 21.534 14.326 1.00 1.63 C ATOM 844 O LYS A 56 -1.712 21.125 13.894 1.00 1.47 O ATOM 845 CB LYS A 56 -0.860 21.620 16.847 1.00 1.77 C ATOM 846 CG LYS A 56 -0.634 22.425 18.144 1.00 2.05 C ATOM 847 CD LYS A 56 -0.997 21.642 19.419 1.00 2.41 C ATOM 848 CE LYS A 56 -2.505 21.381 19.474 1.00 2.94 C ATOM 849 NZ LYS A 56 -2.972 20.727 20.718 1.00 3.30 N ATOM 0 H LYS A 56 -2.296 23.417 16.218 1.00 1.54 H new ATOM 0 HA LYS A 56 0.399 22.884 15.624 1.00 1.66 H new ATOM 0 HB2 LYS A 56 -1.887 21.255 16.829 1.00 1.77 H new ATOM 0 HB3 LYS A 56 -0.210 20.745 16.853 1.00 1.77 H new ATOM 0 HG2 LYS A 56 0.412 22.728 18.198 1.00 2.05 H new ATOM 0 HG3 LYS A 56 -1.229 23.338 18.105 1.00 2.05 H new ATOM 0 HD2 LYS A 56 -0.457 20.696 19.438 1.00 2.41 H new ATOM 0 HD3 LYS A 56 -0.686 22.204 20.300 1.00 2.41 H new ATOM 0 HE2 LYS A 56 -3.029 22.330 19.359 1.00 2.94 H new ATOM 0 HE3 LYS A 56 -2.784 20.758 18.624 1.00 2.94 H new ATOM 0 HZ1 LYS A 56 -3.941 21.039 20.932 1.00 3.30 H new ATOM 0 HZ2 LYS A 56 -2.960 19.695 20.593 1.00 3.30 H new ATOM 0 HZ3 LYS A 56 -2.343 20.988 21.504 1.00 3.30 H new ATOM 863 N LYS A 57 0.526 21.207 13.745 1.00 1.88 N ATOM 864 CA LYS A 57 0.620 20.249 12.632 1.00 1.87 C ATOM 865 C LYS A 57 0.717 18.808 13.167 1.00 1.75 C ATOM 866 O LYS A 57 1.551 18.566 14.033 1.00 2.07 O ATOM 867 CB LYS A 57 1.801 20.597 11.718 1.00 2.35 C ATOM 868 CG LYS A 57 1.446 21.793 10.814 1.00 3.72 C ATOM 869 CD LYS A 57 2.671 22.379 10.103 1.00 4.04 C ATOM 870 CE LYS A 57 3.555 23.072 11.145 1.00 3.47 C ATOM 871 NZ LYS A 57 4.772 23.682 10.547 1.00 4.57 N ATOM 0 H LYS A 57 1.425 21.596 14.030 1.00 1.88 H new ATOM 0 HA LYS A 57 -0.288 20.317 12.033 1.00 1.87 H new ATOM 0 HB2 LYS A 57 2.677 20.836 12.321 1.00 2.35 H new ATOM 0 HB3 LYS A 57 2.061 19.734 11.105 1.00 2.35 H new ATOM 0 HG2 LYS A 57 0.715 21.477 10.070 1.00 3.72 H new ATOM 0 HG3 LYS A 57 0.973 22.570 11.415 1.00 3.72 H new ATOM 0 HD2 LYS A 57 3.229 21.590 9.598 1.00 4.04 H new ATOM 0 HD3 LYS A 57 2.360 23.090 9.337 1.00 4.04 H new ATOM 0 HE2 LYS A 57 2.976 23.845 11.651 1.00 3.47 H new ATOM 0 HE3 LYS A 57 3.851 22.348 11.904 1.00 3.47 H new ATOM 0 HZ1 LYS A 57 5.335 24.137 11.294 1.00 4.57 H new ATOM 0 HZ2 LYS A 57 5.341 22.943 10.087 1.00 4.57 H new ATOM 0 HZ3 LYS A 57 4.493 24.393 9.841 1.00 4.57 H new ATOM 885 N VAL A 58 -0.104 17.876 12.676 1.00 1.46 N ATOM 886 CA VAL A 58 -0.273 16.521 13.240 1.00 1.35 C ATOM 887 C VAL A 58 -0.409 15.503 12.100 1.00 1.20 C ATOM 888 O VAL A 58 -0.891 15.858 11.026 1.00 1.25 O ATOM 889 CB VAL A 58 -1.502 16.476 14.187 1.00 1.35 C ATOM 890 CG1 VAL A 58 -1.790 15.073 14.748 1.00 1.82 C ATOM 891 CG2 VAL A 58 -1.317 17.435 15.380 1.00 1.83 C ATOM 0 H VAL A 58 -0.687 18.040 11.855 1.00 1.46 H new ATOM 0 HA VAL A 58 0.606 16.263 13.831 1.00 1.35 H new ATOM 0 HB VAL A 58 -2.348 16.781 13.570 1.00 1.35 H new ATOM 0 HG11 VAL A 58 -2.661 15.114 15.402 1.00 1.82 H new ATOM 0 HG12 VAL A 58 -1.986 14.385 13.925 1.00 1.82 H new ATOM 0 HG13 VAL A 58 -0.927 14.724 15.315 1.00 1.82 H new ATOM 0 HG21 VAL A 58 -2.192 17.384 16.027 1.00 1.83 H new ATOM 0 HG22 VAL A 58 -0.431 17.146 15.945 1.00 1.83 H new ATOM 0 HG23 VAL A 58 -1.197 18.454 15.012 1.00 1.83 H new ATOM 901 N MET A 59 0.031 14.256 12.327 1.00 1.27 N ATOM 902 CA MET A 59 -0.163 13.129 11.402 1.00 1.19 C ATOM 903 C MET A 59 -1.428 12.323 11.720 1.00 1.09 C ATOM 904 O MET A 59 -1.549 11.774 12.813 1.00 1.53 O ATOM 905 CB MET A 59 1.065 12.212 11.368 1.00 1.39 C ATOM 906 CG MET A 59 2.063 12.754 10.337 1.00 2.33 C ATOM 907 SD MET A 59 3.674 11.939 10.313 1.00 3.41 S ATOM 908 CE MET A 59 4.260 12.558 11.907 1.00 3.23 C ATOM 0 H MET A 59 0.540 13.998 13.172 1.00 1.27 H new ATOM 0 HA MET A 59 -0.294 13.564 10.411 1.00 1.19 H new ATOM 0 HB2 MET A 59 1.529 12.167 12.353 1.00 1.39 H new ATOM 0 HB3 MET A 59 0.769 11.196 11.108 1.00 1.39 H new ATOM 0 HG2 MET A 59 1.617 12.669 9.346 1.00 2.33 H new ATOM 0 HG3 MET A 59 2.215 13.816 10.528 1.00 2.33 H new ATOM 0 HE1 MET A 59 5.335 12.734 11.856 1.00 3.23 H new ATOM 0 HE2 MET A 59 3.750 13.492 12.144 1.00 3.23 H new ATOM 0 HE3 MET A 59 4.049 11.822 12.683 1.00 3.23 H new ATOM 918 N GLY A 60 -2.336 12.222 10.745 1.00 0.86 N ATOM 919 CA GLY A 60 -3.519 11.349 10.777 1.00 0.95 C ATOM 920 C GLY A 60 -3.745 10.652 9.436 1.00 0.85 C ATOM 921 O GLY A 60 -3.200 11.091 8.430 1.00 1.13 O ATOM 0 H GLY A 60 -2.268 12.762 9.882 1.00 0.86 H new ATOM 0 HA2 GLY A 60 -3.398 10.600 11.560 1.00 0.95 H new ATOM 0 HA3 GLY A 60 -4.399 11.939 11.033 1.00 0.95 H new ATOM 925 N MET A 61 -4.560 9.594 9.405 1.00 0.77 N ATOM 926 CA MET A 61 -4.853 8.809 8.194 1.00 0.72 C ATOM 927 C MET A 61 -6.272 9.062 7.659 1.00 0.74 C ATOM 928 O MET A 61 -7.190 9.386 8.413 1.00 0.85 O ATOM 929 CB MET A 61 -4.652 7.307 8.471 1.00 0.82 C ATOM 930 CG MET A 61 -3.186 6.920 8.708 1.00 0.95 C ATOM 931 SD MET A 61 -2.482 7.334 10.327 1.00 1.42 S ATOM 932 CE MET A 61 -0.854 6.573 10.107 1.00 1.50 C ATOM 0 H MET A 61 -5.045 9.250 10.233 1.00 0.77 H new ATOM 0 HA MET A 61 -4.154 9.136 7.424 1.00 0.72 H new ATOM 0 HB2 MET A 61 -5.240 7.025 9.344 1.00 0.82 H new ATOM 0 HB3 MET A 61 -5.039 6.735 7.628 1.00 0.82 H new ATOM 0 HG2 MET A 61 -3.091 5.844 8.561 1.00 0.95 H new ATOM 0 HG3 MET A 61 -2.579 7.401 7.941 1.00 0.95 H new ATOM 0 HE1 MET A 61 -0.131 7.065 10.758 1.00 1.50 H new ATOM 0 HE2 MET A 61 -0.910 5.515 10.361 1.00 1.50 H new ATOM 0 HE3 MET A 61 -0.539 6.680 9.069 1.00 1.50 H new ATOM 942 N ARG A 62 -6.442 8.886 6.345 1.00 0.72 N ATOM 943 CA ARG A 62 -7.715 8.882 5.601 1.00 0.69 C ATOM 944 C ARG A 62 -7.567 7.949 4.391 1.00 0.64 C ATOM 945 O ARG A 62 -6.494 7.994 3.785 1.00 0.63 O ATOM 946 CB ARG A 62 -8.010 10.278 5.015 1.00 0.71 C ATOM 947 CG ARG A 62 -8.692 11.276 5.956 1.00 1.62 C ATOM 948 CD ARG A 62 -8.675 12.698 5.368 1.00 1.84 C ATOM 949 NE ARG A 62 -9.584 12.840 4.209 1.00 2.52 N ATOM 950 CZ ARG A 62 -9.256 13.094 2.941 1.00 2.99 C ATOM 951 NH1 ARG A 62 -8.013 13.196 2.529 1.00 3.51 N ATOM 952 NH2 ARG A 62 -10.213 13.266 2.051 1.00 4.16 N ATOM 0 H ARG A 62 -5.644 8.732 5.728 1.00 0.72 H new ATOM 0 HA ARG A 62 -8.506 8.573 6.284 1.00 0.69 H new ATOM 0 HB2 ARG A 62 -7.070 10.713 4.677 1.00 0.71 H new ATOM 0 HB3 ARG A 62 -8.639 10.154 4.133 1.00 0.71 H new ATOM 0 HG2 ARG A 62 -9.722 10.966 6.134 1.00 1.62 H new ATOM 0 HG3 ARG A 62 -8.186 11.273 6.922 1.00 1.62 H new ATOM 0 HD2 ARG A 62 -8.962 13.411 6.141 1.00 1.84 H new ATOM 0 HD3 ARG A 62 -7.659 12.950 5.063 1.00 1.84 H new ATOM 0 HE ARG A 62 -10.579 12.731 4.403 1.00 2.52 H new ATOM 0 HH11 ARG A 62 -7.245 13.080 3.190 1.00 3.51 H new ATOM 0 HH12 ARG A 62 -7.815 13.392 1.548 1.00 3.51 H new ATOM 0 HH21 ARG A 62 -11.191 13.204 2.335 1.00 4.16 H new ATOM 0 HH22 ARG A 62 -9.976 13.461 1.078 1.00 4.16 H new ATOM 966 N PRO A 63 -8.598 7.213 3.944 1.00 0.65 N ATOM 967 CA PRO A 63 -8.601 6.660 2.598 1.00 0.65 C ATOM 968 C PRO A 63 -8.615 7.772 1.548 1.00 0.65 C ATOM 969 O PRO A 63 -9.213 8.830 1.750 1.00 0.68 O ATOM 970 CB PRO A 63 -9.800 5.723 2.492 1.00 0.69 C ATOM 971 CG PRO A 63 -10.725 6.213 3.596 1.00 0.72 C ATOM 972 CD PRO A 63 -9.829 6.885 4.639 1.00 0.70 C ATOM 0 HA PRO A 63 -7.690 6.094 2.404 1.00 0.65 H new ATOM 0 HB2 PRO A 63 -10.274 5.786 1.513 1.00 0.69 H new ATOM 0 HB3 PRO A 63 -9.512 4.682 2.641 1.00 0.69 H new ATOM 0 HG2 PRO A 63 -11.460 6.916 3.204 1.00 0.72 H new ATOM 0 HG3 PRO A 63 -11.279 5.384 4.036 1.00 0.72 H new ATOM 0 HD2 PRO A 63 -10.301 7.780 5.043 1.00 0.70 H new ATOM 0 HD3 PRO A 63 -9.638 6.218 5.480 1.00 0.70 H new ATOM 980 N VAL A 64 -7.938 7.500 0.430 1.00 0.63 N ATOM 981 CA VAL A 64 -7.777 8.398 -0.730 1.00 0.60 C ATOM 982 C VAL A 64 -8.271 7.730 -2.020 1.00 0.53 C ATOM 983 O VAL A 64 -8.315 6.501 -2.085 1.00 0.52 O ATOM 984 CB VAL A 64 -6.306 8.842 -0.932 1.00 0.69 C ATOM 985 CG1 VAL A 64 -5.985 10.049 -0.049 1.00 0.76 C ATOM 986 CG2 VAL A 64 -5.274 7.727 -0.715 1.00 0.75 C ATOM 0 H VAL A 64 -7.463 6.607 0.297 1.00 0.63 H new ATOM 0 HA VAL A 64 -8.380 9.280 -0.515 1.00 0.60 H new ATOM 0 HB VAL A 64 -6.223 9.119 -1.983 1.00 0.69 H new ATOM 0 HG11 VAL A 64 -4.948 10.347 -0.204 1.00 0.76 H new ATOM 0 HG12 VAL A 64 -6.644 10.877 -0.311 1.00 0.76 H new ATOM 0 HG13 VAL A 64 -6.134 9.784 0.998 1.00 0.76 H new ATOM 0 HG21 VAL A 64 -4.271 8.123 -0.876 1.00 0.75 H new ATOM 0 HG22 VAL A 64 -5.355 7.349 0.304 1.00 0.75 H new ATOM 0 HG23 VAL A 64 -5.461 6.916 -1.419 1.00 0.75 H new ATOM 996 N PRO A 65 -8.619 8.513 -3.063 1.00 0.53 N ATOM 997 CA PRO A 65 -9.066 7.968 -4.337 1.00 0.54 C ATOM 998 C PRO A 65 -7.932 7.350 -5.165 1.00 0.53 C ATOM 999 O PRO A 65 -8.245 6.531 -6.024 1.00 0.54 O ATOM 1000 CB PRO A 65 -9.720 9.143 -5.071 1.00 0.62 C ATOM 1001 CG PRO A 65 -8.954 10.354 -4.542 1.00 0.65 C ATOM 1002 CD PRO A 65 -8.702 9.971 -3.085 1.00 0.59 C ATOM 0 HA PRO A 65 -9.759 7.142 -4.176 1.00 0.54 H new ATOM 0 HB2 PRO A 65 -9.623 9.046 -6.152 1.00 0.62 H new ATOM 0 HB3 PRO A 65 -10.785 9.213 -4.851 1.00 0.62 H new ATOM 0 HG2 PRO A 65 -8.024 10.516 -5.086 1.00 0.65 H new ATOM 0 HG3 PRO A 65 -9.536 11.272 -4.626 1.00 0.65 H new ATOM 0 HD2 PRO A 65 -7.780 10.420 -2.717 1.00 0.59 H new ATOM 0 HD3 PRO A 65 -9.508 10.326 -2.443 1.00 0.59 H new ATOM 1010 N PHE A 66 -6.652 7.703 -4.932 1.00 0.54 N ATOM 1011 CA PHE A 66 -5.504 7.215 -5.709 1.00 0.53 C ATOM 1012 C PHE A 66 -4.156 7.682 -5.132 1.00 0.57 C ATOM 1013 O PHE A 66 -4.089 8.563 -4.276 1.00 0.72 O ATOM 1014 CB PHE A 66 -5.623 7.586 -7.208 1.00 0.59 C ATOM 1015 CG PHE A 66 -5.631 9.066 -7.532 1.00 0.73 C ATOM 1016 CD1 PHE A 66 -4.419 9.769 -7.668 1.00 1.85 C ATOM 1017 CD2 PHE A 66 -6.851 9.732 -7.752 1.00 1.62 C ATOM 1018 CE1 PHE A 66 -4.426 11.126 -8.024 1.00 1.97 C ATOM 1019 CE2 PHE A 66 -6.860 11.093 -8.101 1.00 1.65 C ATOM 1020 CZ PHE A 66 -5.645 11.791 -8.241 1.00 1.03 C ATOM 0 H PHE A 66 -6.387 8.346 -4.186 1.00 0.54 H new ATOM 0 HA PHE A 66 -5.526 6.128 -5.629 1.00 0.53 H new ATOM 0 HB2 PHE A 66 -4.794 7.123 -7.743 1.00 0.59 H new ATOM 0 HB3 PHE A 66 -6.540 7.145 -7.598 1.00 0.59 H new ATOM 0 HD1 PHE A 66 -3.481 9.262 -7.498 1.00 1.85 H new ATOM 0 HD2 PHE A 66 -7.783 9.195 -7.652 1.00 1.62 H new ATOM 0 HE1 PHE A 66 -3.494 11.660 -8.131 1.00 1.97 H new ATOM 0 HE2 PHE A 66 -7.798 11.603 -8.262 1.00 1.65 H new ATOM 0 HZ PHE A 66 -5.650 12.836 -8.515 1.00 1.03 H new ATOM 1030 N LEU A 67 -3.088 7.096 -5.674 1.00 0.50 N ATOM 1031 CA LEU A 67 -1.691 7.523 -5.624 1.00 0.57 C ATOM 1032 C LEU A 67 -1.122 7.534 -7.055 1.00 0.62 C ATOM 1033 O LEU A 67 -1.772 7.048 -7.983 1.00 0.60 O ATOM 1034 CB LEU A 67 -0.898 6.534 -4.741 1.00 0.61 C ATOM 1035 CG LEU A 67 -0.309 7.145 -3.460 1.00 0.67 C ATOM 1036 CD1 LEU A 67 0.516 6.049 -2.766 1.00 1.09 C ATOM 1037 CD2 LEU A 67 0.619 8.344 -3.730 1.00 0.89 C ATOM 0 H LEU A 67 -3.189 6.232 -6.207 1.00 0.50 H new ATOM 0 HA LEU A 67 -1.612 8.524 -5.200 1.00 0.57 H new ATOM 0 HB2 LEU A 67 -1.554 5.709 -4.465 1.00 0.61 H new ATOM 0 HB3 LEU A 67 -0.086 6.111 -5.332 1.00 0.61 H new ATOM 0 HG LEU A 67 -1.136 7.508 -2.850 1.00 0.67 H new ATOM 0 HD11 LEU A 67 0.951 6.447 -1.849 1.00 1.09 H new ATOM 0 HD12 LEU A 67 -0.130 5.205 -2.524 1.00 1.09 H new ATOM 0 HD13 LEU A 67 1.313 5.717 -3.432 1.00 1.09 H new ATOM 0 HD21 LEU A 67 1.001 8.729 -2.784 1.00 0.89 H new ATOM 0 HD22 LEU A 67 1.453 8.025 -4.355 1.00 0.89 H new ATOM 0 HD23 LEU A 67 0.061 9.128 -4.242 1.00 0.89 H new ATOM 1049 N GLU A 68 0.107 8.002 -7.260 1.00 0.76 N ATOM 1050 CA GLU A 68 0.765 7.940 -8.569 1.00 0.83 C ATOM 1051 C GLU A 68 2.285 8.014 -8.468 1.00 0.94 C ATOM 1052 O GLU A 68 2.828 8.290 -7.400 1.00 1.02 O ATOM 1053 CB GLU A 68 0.171 8.985 -9.530 1.00 0.94 C ATOM 1054 CG GLU A 68 0.499 10.444 -9.241 1.00 1.14 C ATOM 1055 CD GLU A 68 -0.400 11.253 -10.172 1.00 1.30 C ATOM 1056 OE1 GLU A 68 -1.606 11.367 -9.858 1.00 2.24 O ATOM 1057 OE2 GLU A 68 0.032 11.589 -11.294 1.00 2.05 O ATOM 0 H GLU A 68 0.675 8.433 -6.530 1.00 0.76 H new ATOM 0 HA GLU A 68 0.559 6.958 -8.995 1.00 0.83 H new ATOM 0 HB2 GLU A 68 0.513 8.753 -10.539 1.00 0.94 H new ATOM 0 HB3 GLU A 68 -0.913 8.873 -9.527 1.00 0.94 H new ATOM 0 HG2 GLU A 68 0.307 10.691 -8.197 1.00 1.14 H new ATOM 0 HG3 GLU A 68 1.552 10.655 -9.430 1.00 1.14 H new ATOM 1064 N VAL A 69 2.957 7.730 -9.583 1.00 0.96 N ATOM 1065 CA VAL A 69 4.415 7.651 -9.697 1.00 0.98 C ATOM 1066 C VAL A 69 4.848 8.134 -11.090 1.00 0.97 C ATOM 1067 O VAL A 69 4.291 7.655 -12.082 1.00 0.99 O ATOM 1068 CB VAL A 69 4.926 6.196 -9.503 1.00 1.00 C ATOM 1069 CG1 VAL A 69 6.462 6.136 -9.405 1.00 0.99 C ATOM 1070 CG2 VAL A 69 4.363 5.491 -8.263 1.00 1.12 C ATOM 0 H VAL A 69 2.484 7.541 -10.466 1.00 0.96 H new ATOM 0 HA VAL A 69 4.842 8.281 -8.916 1.00 0.98 H new ATOM 0 HB VAL A 69 4.568 5.676 -10.391 1.00 1.00 H new ATOM 0 HG11 VAL A 69 6.778 5.102 -9.270 1.00 0.99 H new ATOM 0 HG12 VAL A 69 6.901 6.533 -10.321 1.00 0.99 H new ATOM 0 HG13 VAL A 69 6.796 6.731 -8.555 1.00 0.99 H new ATOM 0 HG21 VAL A 69 4.770 4.482 -8.202 1.00 1.12 H new ATOM 0 HG22 VAL A 69 4.642 6.049 -7.369 1.00 1.12 H new ATOM 0 HG23 VAL A 69 3.277 5.441 -8.335 1.00 1.12 H new ATOM 1080 N PRO A 70 5.843 9.035 -11.209 1.00 0.97 N ATOM 1081 CA PRO A 70 6.349 9.480 -12.501 1.00 0.97 C ATOM 1082 C PRO A 70 7.213 8.400 -13.179 1.00 1.00 C ATOM 1083 O PRO A 70 7.697 7.486 -12.509 1.00 1.09 O ATOM 1084 CB PRO A 70 7.155 10.745 -12.204 1.00 0.99 C ATOM 1085 CG PRO A 70 7.678 10.497 -10.788 1.00 1.00 C ATOM 1086 CD PRO A 70 6.538 9.723 -10.128 1.00 0.98 C ATOM 0 HA PRO A 70 5.538 9.676 -13.202 1.00 0.97 H new ATOM 0 HB2 PRO A 70 7.969 10.881 -12.916 1.00 0.99 H new ATOM 0 HB3 PRO A 70 6.534 11.640 -12.254 1.00 0.99 H new ATOM 0 HG2 PRO A 70 8.604 9.922 -10.795 1.00 1.00 H new ATOM 0 HG3 PRO A 70 7.886 11.431 -10.266 1.00 1.00 H new ATOM 0 HD2 PRO A 70 6.921 9.012 -9.396 1.00 0.98 H new ATOM 0 HD3 PRO A 70 5.865 10.396 -9.597 1.00 0.98 H new ATOM 1094 N PRO A 71 7.427 8.490 -14.504 1.00 0.96 N ATOM 1095 CA PRO A 71 8.240 7.547 -15.264 1.00 0.91 C ATOM 1096 C PRO A 71 9.693 7.558 -14.805 1.00 0.87 C ATOM 1097 O PRO A 71 10.284 8.618 -14.604 1.00 0.87 O ATOM 1098 CB PRO A 71 8.063 7.924 -16.732 1.00 0.89 C ATOM 1099 CG PRO A 71 7.626 9.387 -16.703 1.00 0.99 C ATOM 1100 CD PRO A 71 6.882 9.513 -15.381 1.00 0.98 C ATOM 0 HA PRO A 71 7.920 6.517 -15.104 1.00 0.91 H new ATOM 0 HB2 PRO A 71 8.992 7.799 -17.288 1.00 0.89 H new ATOM 0 HB3 PRO A 71 7.315 7.296 -17.215 1.00 0.89 H new ATOM 0 HG2 PRO A 71 8.481 10.062 -16.748 1.00 0.99 H new ATOM 0 HG3 PRO A 71 6.984 9.630 -17.549 1.00 0.99 H new ATOM 0 HD2 PRO A 71 7.019 10.506 -14.952 1.00 0.98 H new ATOM 0 HD3 PRO A 71 5.811 9.372 -15.523 1.00 0.98 H new ATOM 1108 N LYS A 72 10.248 6.353 -14.616 1.00 0.91 N ATOM 1109 CA LYS A 72 11.616 6.064 -14.139 1.00 0.92 C ATOM 1110 C LYS A 72 11.825 6.358 -12.642 1.00 1.01 C ATOM 1111 O LYS A 72 12.903 6.111 -12.102 1.00 1.06 O ATOM 1112 CB LYS A 72 12.677 6.776 -15.001 1.00 0.89 C ATOM 1113 CG LYS A 72 12.388 6.801 -16.508 1.00 0.95 C ATOM 1114 CD LYS A 72 12.104 5.430 -17.141 1.00 0.85 C ATOM 1115 CE LYS A 72 11.754 5.613 -18.622 1.00 1.07 C ATOM 1116 NZ LYS A 72 11.026 4.436 -19.147 1.00 1.42 N ATOM 0 H LYS A 72 9.725 5.498 -14.803 1.00 0.91 H new ATOM 0 HA LYS A 72 11.745 4.988 -14.253 1.00 0.92 H new ATOM 0 HB2 LYS A 72 12.777 7.803 -14.650 1.00 0.89 H new ATOM 0 HB3 LYS A 72 13.639 6.289 -14.840 1.00 0.89 H new ATOM 0 HG2 LYS A 72 11.531 7.451 -16.687 1.00 0.95 H new ATOM 0 HG3 LYS A 72 13.240 7.250 -17.018 1.00 0.95 H new ATOM 0 HD2 LYS A 72 12.976 4.783 -17.040 1.00 0.85 H new ATOM 0 HD3 LYS A 72 11.281 4.940 -16.620 1.00 0.85 H new ATOM 0 HE2 LYS A 72 11.144 6.507 -18.747 1.00 1.07 H new ATOM 0 HE3 LYS A 72 12.666 5.767 -19.198 1.00 1.07 H new ATOM 0 HZ1 LYS A 72 10.266 4.753 -19.783 1.00 1.42 H new ATOM 0 HZ2 LYS A 72 11.685 3.826 -19.672 1.00 1.42 H new ATOM 0 HZ3 LYS A 72 10.614 3.901 -18.356 1.00 1.42 H new ATOM 1130 N GLY A 73 10.791 6.872 -11.974 1.00 1.09 N ATOM 1131 CA GLY A 73 10.765 7.199 -10.560 1.00 1.20 C ATOM 1132 C GLY A 73 10.184 6.063 -9.731 1.00 1.01 C ATOM 1133 O GLY A 73 9.799 5.004 -10.231 1.00 1.17 O ATOM 0 H GLY A 73 9.905 7.080 -12.436 1.00 1.09 H new ATOM 0 HA2 GLY A 73 11.777 7.418 -10.218 1.00 1.20 H new ATOM 0 HA3 GLY A 73 10.174 8.102 -10.406 1.00 1.20 H new ATOM 1137 N ARG A 74 10.122 6.328 -8.430 1.00 1.38 N ATOM 1138 CA ARG A 74 9.562 5.430 -7.412 1.00 1.41 C ATOM 1139 C ARG A 74 9.169 6.118 -6.104 1.00 1.41 C ATOM 1140 O ARG A 74 9.690 7.183 -5.789 1.00 1.53 O ATOM 1141 CB ARG A 74 10.453 4.199 -7.188 1.00 1.51 C ATOM 1142 CG ARG A 74 11.691 4.286 -6.286 1.00 1.59 C ATOM 1143 CD ARG A 74 12.136 2.824 -6.123 1.00 1.42 C ATOM 1144 NE ARG A 74 13.318 2.634 -5.275 1.00 2.30 N ATOM 1145 CZ ARG A 74 13.832 1.427 -5.060 1.00 2.76 C ATOM 1146 NH1 ARG A 74 13.436 0.365 -5.720 1.00 2.71 N ATOM 1147 NH2 ARG A 74 14.749 1.218 -4.144 1.00 4.15 N ATOM 0 H ARG A 74 10.471 7.202 -8.037 1.00 1.38 H new ATOM 0 HA ARG A 74 8.616 5.081 -7.826 1.00 1.41 H new ATOM 0 HB2 ARG A 74 9.817 3.411 -6.786 1.00 1.51 H new ATOM 0 HB3 ARG A 74 10.792 3.865 -8.169 1.00 1.51 H new ATOM 0 HG2 ARG A 74 12.474 4.893 -6.740 1.00 1.59 H new ATOM 0 HG3 ARG A 74 11.453 4.740 -5.324 1.00 1.59 H new ATOM 0 HD2 ARG A 74 11.309 2.251 -5.704 1.00 1.42 H new ATOM 0 HD3 ARG A 74 12.343 2.409 -7.110 1.00 1.42 H new ATOM 0 HE ARG A 74 13.755 3.447 -4.840 1.00 2.30 H new ATOM 0 HH11 ARG A 74 12.707 0.447 -6.429 1.00 2.71 H new ATOM 0 HH12 ARG A 74 13.857 -0.543 -5.524 1.00 2.71 H new ATOM 0 HH21 ARG A 74 15.086 1.994 -3.574 1.00 4.15 H new ATOM 0 HH22 ARG A 74 15.124 0.280 -4.003 1.00 4.15 H new ATOM 1161 N VAL A 75 8.278 5.479 -5.347 1.00 1.35 N ATOM 1162 CA VAL A 75 7.768 5.902 -4.029 1.00 1.38 C ATOM 1163 C VAL A 75 7.750 4.720 -3.048 1.00 1.26 C ATOM 1164 O VAL A 75 7.958 3.575 -3.446 1.00 1.35 O ATOM 1165 CB VAL A 75 6.343 6.511 -4.123 1.00 1.61 C ATOM 1166 CG1 VAL A 75 6.325 7.750 -5.033 1.00 1.74 C ATOM 1167 CG2 VAL A 75 5.295 5.492 -4.608 1.00 1.78 C ATOM 0 H VAL A 75 7.863 4.598 -5.650 1.00 1.35 H new ATOM 0 HA VAL A 75 8.446 6.673 -3.663 1.00 1.38 H new ATOM 0 HB VAL A 75 6.073 6.808 -3.110 1.00 1.61 H new ATOM 0 HG11 VAL A 75 5.313 8.153 -5.078 1.00 1.74 H new ATOM 0 HG12 VAL A 75 7.000 8.506 -4.631 1.00 1.74 H new ATOM 0 HG13 VAL A 75 6.649 7.470 -6.035 1.00 1.74 H new ATOM 0 HG21 VAL A 75 4.317 5.971 -4.655 1.00 1.78 H new ATOM 0 HG22 VAL A 75 5.570 5.130 -5.599 1.00 1.78 H new ATOM 0 HG23 VAL A 75 5.255 4.653 -3.914 1.00 1.78 H new ATOM 1177 N GLU A 76 7.463 4.996 -1.774 1.00 1.36 N ATOM 1178 CA GLU A 76 7.204 4.014 -0.730 1.00 1.33 C ATOM 1179 C GLU A 76 5.786 4.225 -0.185 1.00 1.21 C ATOM 1180 O GLU A 76 5.397 5.344 0.158 1.00 1.37 O ATOM 1181 CB GLU A 76 8.247 4.206 0.377 1.00 1.76 C ATOM 1182 CG GLU A 76 8.137 3.192 1.531 1.00 3.20 C ATOM 1183 CD GLU A 76 8.402 3.781 2.927 1.00 4.50 C ATOM 1184 OE1 GLU A 76 8.999 4.874 3.039 1.00 4.99 O ATOM 1185 OE2 GLU A 76 7.959 3.141 3.910 1.00 5.56 O ATOM 0 H GLU A 76 7.403 5.955 -1.431 1.00 1.36 H new ATOM 0 HA GLU A 76 7.276 2.999 -1.121 1.00 1.33 H new ATOM 0 HB2 GLU A 76 9.243 4.134 -0.061 1.00 1.76 H new ATOM 0 HB3 GLU A 76 8.149 5.213 0.783 1.00 1.76 H new ATOM 0 HG2 GLU A 76 7.139 2.754 1.519 1.00 3.20 H new ATOM 0 HG3 GLU A 76 8.843 2.381 1.353 1.00 3.20 H new ATOM 1192 N LEU A 77 5.027 3.137 -0.053 1.00 1.07 N ATOM 1193 CA LEU A 77 3.823 3.106 0.761 1.00 1.02 C ATOM 1194 C LEU A 77 4.206 2.938 2.240 1.00 1.17 C ATOM 1195 O LEU A 77 4.182 1.851 2.816 1.00 1.46 O ATOM 1196 CB LEU A 77 2.805 2.082 0.221 1.00 0.88 C ATOM 1197 CG LEU A 77 1.948 2.667 -0.928 1.00 0.82 C ATOM 1198 CD1 LEU A 77 2.643 2.551 -2.296 1.00 0.82 C ATOM 1199 CD2 LEU A 77 0.579 1.979 -0.972 1.00 0.85 C ATOM 0 H LEU A 77 5.236 2.250 -0.512 1.00 1.07 H new ATOM 0 HA LEU A 77 3.295 4.058 0.695 1.00 1.02 H new ATOM 0 HB2 LEU A 77 3.334 1.198 -0.135 1.00 0.88 H new ATOM 0 HB3 LEU A 77 2.152 1.758 1.031 1.00 0.88 H new ATOM 0 HG LEU A 77 1.816 3.729 -0.721 1.00 0.82 H new ATOM 0 HD11 LEU A 77 2.001 2.975 -3.068 1.00 0.82 H new ATOM 0 HD12 LEU A 77 3.588 3.094 -2.271 1.00 0.82 H new ATOM 0 HD13 LEU A 77 2.833 1.501 -2.520 1.00 0.82 H new ATOM 0 HD21 LEU A 77 -0.014 2.400 -1.784 1.00 0.85 H new ATOM 0 HD22 LEU A 77 0.714 0.910 -1.137 1.00 0.85 H new ATOM 0 HD23 LEU A 77 0.062 2.137 -0.026 1.00 0.85 H new ATOM 1211 N LYS A 78 4.571 4.074 2.836 1.00 1.20 N ATOM 1212 CA LYS A 78 5.007 4.250 4.222 1.00 1.33 C ATOM 1213 C LYS A 78 3.847 4.204 5.243 1.00 1.27 C ATOM 1214 O LYS A 78 2.804 4.820 5.002 1.00 1.43 O ATOM 1215 CB LYS A 78 5.801 5.576 4.387 1.00 1.81 C ATOM 1216 CG LYS A 78 5.984 6.426 3.110 1.00 1.17 C ATOM 1217 CD LYS A 78 6.738 7.758 3.243 1.00 1.73 C ATOM 1218 CE LYS A 78 8.033 7.660 4.058 1.00 2.32 C ATOM 1219 NZ LYS A 78 7.889 8.318 5.378 1.00 4.09 N ATOM 0 H LYS A 78 4.570 4.958 2.327 1.00 1.20 H new ATOM 0 HA LYS A 78 5.656 3.401 4.440 1.00 1.33 H new ATOM 0 HB2 LYS A 78 5.296 6.187 5.135 1.00 1.81 H new ATOM 0 HB3 LYS A 78 6.788 5.337 4.784 1.00 1.81 H new ATOM 0 HG2 LYS A 78 6.507 5.816 2.373 1.00 1.17 H new ATOM 0 HG3 LYS A 78 4.995 6.639 2.704 1.00 1.17 H new ATOM 0 HD2 LYS A 78 6.975 8.131 2.247 1.00 1.73 H new ATOM 0 HD3 LYS A 78 6.081 8.491 3.710 1.00 1.73 H new ATOM 0 HE2 LYS A 78 8.298 6.612 4.199 1.00 2.32 H new ATOM 0 HE3 LYS A 78 8.849 8.124 3.505 1.00 2.32 H new ATOM 0 HZ1 LYS A 78 8.409 7.774 6.096 1.00 4.09 H new ATOM 0 HZ2 LYS A 78 8.274 9.283 5.329 1.00 4.09 H new ATOM 0 HZ3 LYS A 78 6.883 8.360 5.637 1.00 4.09 H new ATOM 1233 N PRO A 79 4.058 3.632 6.452 1.00 1.16 N ATOM 1234 CA PRO A 79 3.125 3.779 7.573 1.00 1.14 C ATOM 1235 C PRO A 79 2.920 5.254 7.947 1.00 1.14 C ATOM 1236 O PRO A 79 1.787 5.663 8.164 1.00 1.30 O ATOM 1237 CB PRO A 79 3.716 2.968 8.734 1.00 1.08 C ATOM 1238 CG PRO A 79 5.197 2.834 8.390 1.00 1.06 C ATOM 1239 CD PRO A 79 5.212 2.842 6.863 1.00 1.09 C ATOM 0 HA PRO A 79 2.134 3.409 7.310 1.00 1.14 H new ATOM 0 HB2 PRO A 79 3.574 3.478 9.687 1.00 1.08 H new ATOM 0 HB3 PRO A 79 3.238 1.992 8.820 1.00 1.08 H new ATOM 0 HG2 PRO A 79 5.780 3.658 8.801 1.00 1.06 H new ATOM 0 HG3 PRO A 79 5.620 1.913 8.790 1.00 1.06 H new ATOM 0 HD2 PRO A 79 6.137 3.277 6.485 1.00 1.09 H new ATOM 0 HD3 PRO A 79 5.151 1.828 6.467 1.00 1.09 H new ATOM 1247 N GLY A 80 3.986 6.066 7.937 1.00 1.08 N ATOM 1248 CA GLY A 80 3.885 7.528 7.939 1.00 1.11 C ATOM 1249 C GLY A 80 4.051 8.068 6.523 1.00 1.02 C ATOM 1250 O GLY A 80 5.159 8.481 6.167 1.00 1.17 O ATOM 0 H GLY A 80 4.947 5.723 7.927 1.00 1.08 H new ATOM 0 HA2 GLY A 80 2.919 7.833 8.342 1.00 1.11 H new ATOM 0 HA3 GLY A 80 4.650 7.952 8.590 1.00 1.11 H new ATOM 1254 N GLY A 81 2.992 7.996 5.708 1.00 0.96 N ATOM 1255 CA GLY A 81 2.938 8.532 4.340 1.00 0.94 C ATOM 1256 C GLY A 81 1.705 8.112 3.537 1.00 0.82 C ATOM 1257 O GLY A 81 0.830 8.931 3.287 1.00 0.87 O ATOM 0 H GLY A 81 2.120 7.549 5.990 1.00 0.96 H new ATOM 0 HA2 GLY A 81 2.969 9.620 4.389 1.00 0.94 H new ATOM 0 HA3 GLY A 81 3.831 8.211 3.803 1.00 0.94 H new ATOM 1261 N TYR A 82 1.666 6.851 3.109 1.00 0.79 N ATOM 1262 CA TYR A 82 0.624 6.242 2.258 1.00 0.74 C ATOM 1263 C TYR A 82 0.653 4.726 2.438 1.00 0.71 C ATOM 1264 O TYR A 82 1.730 4.163 2.475 1.00 0.74 O ATOM 1265 CB TYR A 82 0.851 6.555 0.770 1.00 0.76 C ATOM 1266 CG TYR A 82 0.856 8.025 0.404 1.00 0.82 C ATOM 1267 CD1 TYR A 82 -0.359 8.719 0.248 1.00 2.38 C ATOM 1268 CD2 TYR A 82 2.080 8.705 0.258 1.00 1.72 C ATOM 1269 CE1 TYR A 82 -0.356 10.111 0.022 1.00 2.45 C ATOM 1270 CE2 TYR A 82 2.094 10.090 0.015 1.00 1.73 C ATOM 1271 CZ TYR A 82 0.876 10.802 -0.082 1.00 1.01 C ATOM 1272 OH TYR A 82 0.903 12.150 -0.279 1.00 1.12 O ATOM 0 H TYR A 82 2.397 6.184 3.356 1.00 0.79 H new ATOM 0 HA TYR A 82 -0.337 6.657 2.560 1.00 0.74 H new ATOM 0 HB2 TYR A 82 1.803 6.120 0.467 1.00 0.76 H new ATOM 0 HB3 TYR A 82 0.074 6.057 0.190 1.00 0.76 H new ATOM 0 HD1 TYR A 82 -1.296 8.184 0.302 1.00 2.38 H new ATOM 0 HD2 TYR A 82 3.010 8.162 0.333 1.00 1.72 H new ATOM 0 HE1 TYR A 82 -1.289 10.648 -0.071 1.00 2.45 H new ATOM 0 HE2 TYR A 82 3.034 10.610 -0.097 1.00 1.73 H new ATOM 0 HH TYR A 82 1.833 12.455 -0.325 1.00 1.12 H new ATOM 1282 N HIS A 83 -0.462 4.014 2.504 1.00 0.67 N ATOM 1283 CA HIS A 83 -0.437 2.569 2.782 1.00 0.61 C ATOM 1284 C HIS A 83 -1.781 1.932 2.472 1.00 0.59 C ATOM 1285 O HIS A 83 -2.803 2.614 2.469 1.00 0.76 O ATOM 1286 CB HIS A 83 0.015 2.266 4.226 1.00 0.56 C ATOM 1287 CG HIS A 83 -0.627 3.122 5.284 1.00 0.65 C ATOM 1288 ND1 HIS A 83 -0.122 4.319 5.738 1.00 0.90 N ATOM 1289 CD2 HIS A 83 -1.799 2.885 5.960 1.00 0.80 C ATOM 1290 CE1 HIS A 83 -0.982 4.807 6.644 1.00 1.11 C ATOM 1291 NE2 HIS A 83 -2.001 3.957 6.833 1.00 1.06 N ATOM 0 H HIS A 83 -1.396 4.402 2.371 1.00 0.67 H new ATOM 0 HA HIS A 83 0.305 2.123 2.120 1.00 0.61 H new ATOM 0 HB2 HIS A 83 -0.199 1.220 4.446 1.00 0.56 H new ATOM 0 HB3 HIS A 83 1.096 2.390 4.286 1.00 0.56 H new ATOM 0 HD1 HIS A 83 0.750 4.756 5.439 1.00 0.90 H new ATOM 0 HD2 HIS A 83 -2.445 2.028 5.839 1.00 0.80 H new ATOM 0 HE1 HIS A 83 -0.869 5.754 7.151 1.00 1.11 H new ATOM 1299 N PHE A 84 -1.786 0.620 2.241 1.00 0.54 N ATOM 1300 CA PHE A 84 -3.025 -0.135 2.146 1.00 0.52 C ATOM 1301 C PHE A 84 -3.462 -0.591 3.529 1.00 0.55 C ATOM 1302 O PHE A 84 -2.728 -1.314 4.208 1.00 0.68 O ATOM 1303 CB PHE A 84 -2.825 -1.344 1.242 1.00 0.58 C ATOM 1304 CG PHE A 84 -2.723 -0.991 -0.218 1.00 0.57 C ATOM 1305 CD1 PHE A 84 -3.848 -0.484 -0.894 1.00 2.03 C ATOM 1306 CD2 PHE A 84 -1.507 -1.171 -0.900 1.00 1.81 C ATOM 1307 CE1 PHE A 84 -3.785 -0.252 -2.274 1.00 2.14 C ATOM 1308 CE2 PHE A 84 -1.430 -0.877 -2.269 1.00 1.72 C ATOM 1309 CZ PHE A 84 -2.575 -0.446 -2.957 1.00 0.69 C ATOM 0 H PHE A 84 -0.942 0.061 2.117 1.00 0.54 H new ATOM 0 HA PHE A 84 -3.799 0.504 1.722 1.00 0.52 H new ATOM 0 HB2 PHE A 84 -1.919 -1.869 1.545 1.00 0.58 H new ATOM 0 HB3 PHE A 84 -3.656 -2.035 1.384 1.00 0.58 H new ATOM 0 HD1 PHE A 84 -4.757 -0.274 -0.351 1.00 2.03 H new ATOM 0 HD2 PHE A 84 -0.637 -1.534 -0.373 1.00 1.81 H new ATOM 0 HE1 PHE A 84 -4.664 0.075 -2.810 1.00 2.14 H new ATOM 0 HE2 PHE A 84 -0.491 -0.982 -2.793 1.00 1.72 H new ATOM 0 HZ PHE A 84 -2.524 -0.262 -4.020 1.00 0.69 H new ATOM 1319 N MET A 85 -4.684 -0.223 3.898 1.00 0.48 N ATOM 1320 CA MET A 85 -5.386 -0.716 5.079 1.00 0.54 C ATOM 1321 C MET A 85 -6.221 -1.938 4.678 1.00 0.57 C ATOM 1322 O MET A 85 -7.042 -1.862 3.760 1.00 0.72 O ATOM 1323 CB MET A 85 -6.232 0.425 5.675 1.00 0.71 C ATOM 1324 CG MET A 85 -6.000 0.603 7.181 1.00 1.00 C ATOM 1325 SD MET A 85 -4.534 1.527 7.696 1.00 1.78 S ATOM 1326 CE MET A 85 -3.292 0.220 7.826 1.00 0.95 C ATOM 0 H MET A 85 -5.233 0.451 3.364 1.00 0.48 H new ATOM 0 HA MET A 85 -4.690 -1.036 5.855 1.00 0.54 H new ATOM 0 HB2 MET A 85 -5.994 1.356 5.161 1.00 0.71 H new ATOM 0 HB3 MET A 85 -7.288 0.223 5.495 1.00 0.71 H new ATOM 0 HG2 MET A 85 -6.875 1.100 7.600 1.00 1.00 H new ATOM 0 HG3 MET A 85 -5.949 -0.388 7.633 1.00 1.00 H new ATOM 0 HE1 MET A 85 -2.470 0.561 8.456 1.00 0.95 H new ATOM 0 HE2 MET A 85 -3.743 -0.668 8.268 1.00 0.95 H new ATOM 0 HE3 MET A 85 -2.913 -0.021 6.833 1.00 0.95 H new ATOM 1336 N LEU A 86 -5.970 -3.072 5.334 1.00 0.51 N ATOM 1337 CA LEU A 86 -6.603 -4.373 5.078 1.00 0.52 C ATOM 1338 C LEU A 86 -7.656 -4.638 6.161 1.00 0.55 C ATOM 1339 O LEU A 86 -7.368 -4.411 7.336 1.00 0.79 O ATOM 1340 CB LEU A 86 -5.528 -5.483 5.106 1.00 0.57 C ATOM 1341 CG LEU A 86 -4.302 -5.274 4.189 1.00 0.76 C ATOM 1342 CD1 LEU A 86 -3.327 -6.449 4.354 1.00 1.77 C ATOM 1343 CD2 LEU A 86 -4.709 -5.139 2.716 1.00 1.01 C ATOM 0 H LEU A 86 -5.290 -3.114 6.093 1.00 0.51 H new ATOM 0 HA LEU A 86 -7.082 -4.367 4.099 1.00 0.52 H new ATOM 0 HB2 LEU A 86 -5.174 -5.590 6.131 1.00 0.57 H new ATOM 0 HB3 LEU A 86 -6.003 -6.425 4.833 1.00 0.57 H new ATOM 0 HG LEU A 86 -3.817 -4.344 4.486 1.00 0.76 H new ATOM 0 HD11 LEU A 86 -2.463 -6.299 3.706 1.00 1.77 H new ATOM 0 HD12 LEU A 86 -2.997 -6.505 5.391 1.00 1.77 H new ATOM 0 HD13 LEU A 86 -3.828 -7.378 4.082 1.00 1.77 H new ATOM 0 HD21 LEU A 86 -3.819 -4.993 2.104 1.00 1.01 H new ATOM 0 HD22 LEU A 86 -5.225 -6.045 2.397 1.00 1.01 H new ATOM 0 HD23 LEU A 86 -5.373 -4.283 2.599 1.00 1.01 H new ATOM 1355 N LEU A 87 -8.844 -5.122 5.784 1.00 0.63 N ATOM 1356 CA LEU A 87 -10.009 -5.264 6.667 1.00 0.68 C ATOM 1357 C LEU A 87 -10.778 -6.563 6.370 1.00 0.73 C ATOM 1358 O LEU A 87 -11.194 -6.795 5.233 1.00 0.93 O ATOM 1359 CB LEU A 87 -10.905 -4.011 6.498 1.00 0.74 C ATOM 1360 CG LEU A 87 -10.785 -3.020 7.671 1.00 1.13 C ATOM 1361 CD1 LEU A 87 -11.275 -1.627 7.264 1.00 1.26 C ATOM 1362 CD2 LEU A 87 -11.612 -3.509 8.870 1.00 2.92 C ATOM 0 H LEU A 87 -9.028 -5.435 4.831 1.00 0.63 H new ATOM 0 HA LEU A 87 -9.682 -5.334 7.704 1.00 0.68 H new ATOM 0 HB2 LEU A 87 -10.637 -3.503 5.572 1.00 0.74 H new ATOM 0 HB3 LEU A 87 -11.944 -4.325 6.400 1.00 0.74 H new ATOM 0 HG LEU A 87 -9.733 -2.961 7.949 1.00 1.13 H new ATOM 0 HD11 LEU A 87 -11.180 -0.946 8.110 1.00 1.26 H new ATOM 0 HD12 LEU A 87 -10.674 -1.259 6.432 1.00 1.26 H new ATOM 0 HD13 LEU A 87 -12.320 -1.683 6.960 1.00 1.26 H new ATOM 0 HD21 LEU A 87 -11.517 -2.799 9.691 1.00 2.92 H new ATOM 0 HD22 LEU A 87 -12.660 -3.591 8.580 1.00 2.92 H new ATOM 0 HD23 LEU A 87 -11.247 -4.485 9.190 1.00 2.92 H new ATOM 1374 N GLY A 88 -10.985 -7.385 7.409 1.00 0.75 N ATOM 1375 CA GLY A 88 -11.591 -8.724 7.338 1.00 0.89 C ATOM 1376 C GLY A 88 -10.648 -9.716 6.660 1.00 0.84 C ATOM 1377 O GLY A 88 -10.478 -9.657 5.444 1.00 1.28 O ATOM 0 H GLY A 88 -10.725 -7.125 8.360 1.00 0.75 H new ATOM 0 HA2 GLY A 88 -11.830 -9.073 8.343 1.00 0.89 H new ATOM 0 HA3 GLY A 88 -12.530 -8.674 6.786 1.00 0.89 H new ATOM 1381 N LEU A 89 -9.999 -10.607 7.416 1.00 0.99 N ATOM 1382 CA LEU A 89 -8.865 -11.384 6.899 1.00 0.89 C ATOM 1383 C LEU A 89 -9.248 -12.825 6.532 1.00 0.88 C ATOM 1384 O LEU A 89 -9.585 -13.652 7.378 1.00 1.07 O ATOM 1385 CB LEU A 89 -7.679 -11.293 7.877 1.00 0.95 C ATOM 1386 CG LEU A 89 -7.198 -9.848 8.163 1.00 0.82 C ATOM 1387 CD1 LEU A 89 -5.970 -9.904 9.075 1.00 0.88 C ATOM 1388 CD2 LEU A 89 -6.844 -9.047 6.897 1.00 0.94 C ATOM 0 H LEU A 89 -10.238 -10.809 8.387 1.00 0.99 H new ATOM 0 HA LEU A 89 -8.548 -10.942 5.955 1.00 0.89 H new ATOM 0 HB2 LEU A 89 -7.963 -11.762 8.819 1.00 0.95 H new ATOM 0 HB3 LEU A 89 -6.845 -11.868 7.473 1.00 0.95 H new ATOM 0 HG LEU A 89 -8.031 -9.330 8.638 1.00 0.82 H new ATOM 0 HD11 LEU A 89 -5.624 -8.891 9.282 1.00 0.88 H new ATOM 0 HD12 LEU A 89 -6.234 -10.396 10.011 1.00 0.88 H new ATOM 0 HD13 LEU A 89 -5.176 -10.465 8.582 1.00 0.88 H new ATOM 0 HD21 LEU A 89 -6.516 -8.047 7.179 1.00 0.94 H new ATOM 0 HD22 LEU A 89 -6.043 -9.553 6.359 1.00 0.94 H new ATOM 0 HD23 LEU A 89 -7.722 -8.974 6.256 1.00 0.94 H new ATOM 1400 N LYS A 90 -9.143 -13.149 5.238 1.00 0.90 N ATOM 1401 CA LYS A 90 -9.469 -14.464 4.666 1.00 0.97 C ATOM 1402 C LYS A 90 -8.520 -15.581 5.148 1.00 1.04 C ATOM 1403 O LYS A 90 -8.888 -16.762 5.146 1.00 1.13 O ATOM 1404 CB LYS A 90 -9.426 -14.370 3.127 1.00 1.03 C ATOM 1405 CG LYS A 90 -10.350 -13.296 2.528 1.00 0.93 C ATOM 1406 CD LYS A 90 -10.347 -13.345 0.989 1.00 1.38 C ATOM 1407 CE LYS A 90 -11.362 -12.395 0.335 1.00 1.52 C ATOM 1408 NZ LYS A 90 -12.765 -12.836 0.509 1.00 1.50 N ATOM 0 H LYS A 90 -8.819 -12.483 4.537 1.00 0.90 H new ATOM 0 HA LYS A 90 -10.469 -14.731 5.009 1.00 0.97 H new ATOM 0 HB2 LYS A 90 -8.402 -14.164 2.817 1.00 1.03 H new ATOM 0 HB3 LYS A 90 -9.697 -15.339 2.709 1.00 1.03 H new ATOM 0 HG2 LYS A 90 -11.366 -13.442 2.896 1.00 0.93 H new ATOM 0 HG3 LYS A 90 -10.028 -12.310 2.862 1.00 0.93 H new ATOM 0 HD2 LYS A 90 -9.348 -13.098 0.629 1.00 1.38 H new ATOM 0 HD3 LYS A 90 -10.558 -14.365 0.667 1.00 1.38 H new ATOM 0 HE2 LYS A 90 -11.245 -11.399 0.761 1.00 1.52 H new ATOM 0 HE3 LYS A 90 -11.142 -12.314 -0.730 1.00 1.52 H new ATOM 0 HZ1 LYS A 90 -13.401 -12.165 0.033 1.00 1.50 H new ATOM 0 HZ2 LYS A 90 -12.886 -13.782 0.094 1.00 1.50 H new ATOM 0 HZ3 LYS A 90 -12.995 -12.871 1.523 1.00 1.50 H new ATOM 1422 N ARG A 91 -7.291 -15.219 5.552 1.00 1.16 N ATOM 1423 CA ARG A 91 -6.256 -16.087 6.143 1.00 1.37 C ATOM 1424 C ARG A 91 -5.329 -15.251 7.056 1.00 1.36 C ATOM 1425 O ARG A 91 -5.086 -14.088 6.733 1.00 1.32 O ATOM 1426 CB ARG A 91 -5.403 -16.765 5.046 1.00 1.73 C ATOM 1427 CG ARG A 91 -6.094 -17.857 4.204 1.00 2.65 C ATOM 1428 CD ARG A 91 -6.592 -19.040 5.049 1.00 3.69 C ATOM 1429 NE ARG A 91 -7.201 -20.107 4.227 1.00 4.74 N ATOM 1430 CZ ARG A 91 -8.503 -20.339 4.066 1.00 6.33 C ATOM 1431 NH1 ARG A 91 -9.419 -19.501 4.503 1.00 7.32 N ATOM 1432 NH2 ARG A 91 -8.904 -21.437 3.454 1.00 7.40 N ATOM 0 H ARG A 91 -6.973 -14.253 5.470 1.00 1.16 H new ATOM 0 HA ARG A 91 -6.758 -16.860 6.725 1.00 1.37 H new ATOM 0 HB2 ARG A 91 -5.043 -15.991 4.369 1.00 1.73 H new ATOM 0 HB3 ARG A 91 -4.527 -17.206 5.521 1.00 1.73 H new ATOM 0 HG2 ARG A 91 -6.937 -17.418 3.671 1.00 2.65 H new ATOM 0 HG3 ARG A 91 -5.396 -18.223 3.451 1.00 2.65 H new ATOM 0 HD2 ARG A 91 -5.758 -19.454 5.616 1.00 3.69 H new ATOM 0 HD3 ARG A 91 -7.323 -18.682 5.774 1.00 3.69 H new ATOM 0 HE ARG A 91 -6.560 -20.728 3.733 1.00 4.74 H new ATOM 0 HH11 ARG A 91 -9.140 -18.644 4.981 1.00 7.32 H new ATOM 0 HH12 ARG A 91 -10.408 -19.708 4.364 1.00 7.32 H new ATOM 0 HH21 ARG A 91 -8.218 -22.106 3.105 1.00 7.40 H new ATOM 0 HH22 ARG A 91 -9.900 -21.617 3.330 1.00 7.40 H new ATOM 1446 N PRO A 92 -4.799 -15.815 8.162 1.00 1.52 N ATOM 1447 CA PRO A 92 -3.892 -15.110 9.064 1.00 1.45 C ATOM 1448 C PRO A 92 -2.461 -15.077 8.514 1.00 1.41 C ATOM 1449 O PRO A 92 -1.913 -16.107 8.117 1.00 1.60 O ATOM 1450 CB PRO A 92 -3.962 -15.877 10.387 1.00 1.59 C ATOM 1451 CG PRO A 92 -4.247 -17.313 9.947 1.00 1.74 C ATOM 1452 CD PRO A 92 -5.110 -17.136 8.696 1.00 1.71 C ATOM 0 HA PRO A 92 -4.181 -14.066 9.186 1.00 1.45 H new ATOM 0 HB2 PRO A 92 -3.028 -15.805 10.944 1.00 1.59 H new ATOM 0 HB3 PRO A 92 -4.749 -15.491 11.034 1.00 1.59 H new ATOM 0 HG2 PRO A 92 -3.328 -17.856 9.727 1.00 1.74 H new ATOM 0 HG3 PRO A 92 -4.771 -17.874 10.721 1.00 1.74 H new ATOM 0 HD2 PRO A 92 -4.893 -17.912 7.962 1.00 1.71 H new ATOM 0 HD3 PRO A 92 -6.169 -17.216 8.941 1.00 1.71 H new ATOM 1460 N LEU A 93 -1.858 -13.887 8.531 1.00 1.35 N ATOM 1461 CA LEU A 93 -0.464 -13.649 8.154 1.00 1.30 C ATOM 1462 C LEU A 93 0.477 -14.112 9.273 1.00 1.28 C ATOM 1463 O LEU A 93 0.311 -13.679 10.412 1.00 1.55 O ATOM 1464 CB LEU A 93 -0.237 -12.136 7.903 1.00 1.28 C ATOM 1465 CG LEU A 93 -0.992 -11.452 6.744 1.00 1.35 C ATOM 1466 CD1 LEU A 93 -0.949 -12.294 5.466 1.00 2.00 C ATOM 1467 CD2 LEU A 93 -2.441 -11.074 7.097 1.00 1.74 C ATOM 0 H LEU A 93 -2.342 -13.036 8.817 1.00 1.35 H new ATOM 0 HA LEU A 93 -0.252 -14.212 7.245 1.00 1.30 H new ATOM 0 HB2 LEU A 93 -0.493 -11.607 8.821 1.00 1.28 H new ATOM 0 HB3 LEU A 93 0.830 -11.986 7.736 1.00 1.28 H new ATOM 0 HG LEU A 93 -0.461 -10.517 6.562 1.00 1.35 H new ATOM 0 HD11 LEU A 93 -1.491 -11.779 4.673 1.00 2.00 H new ATOM 0 HD12 LEU A 93 0.087 -12.440 5.161 1.00 2.00 H new ATOM 0 HD13 LEU A 93 -1.412 -13.263 5.653 1.00 2.00 H new ATOM 0 HD21 LEU A 93 -2.912 -10.598 6.237 1.00 1.74 H new ATOM 0 HD22 LEU A 93 -2.997 -11.973 7.364 1.00 1.74 H new ATOM 0 HD23 LEU A 93 -2.442 -10.383 7.940 1.00 1.74 H new ATOM 1479 N LYS A 94 1.478 -14.945 8.975 1.00 1.34 N ATOM 1480 CA LYS A 94 2.584 -15.224 9.904 1.00 1.53 C ATOM 1481 C LYS A 94 3.933 -14.745 9.330 1.00 1.45 C ATOM 1482 O LYS A 94 3.997 -13.941 8.407 1.00 2.10 O ATOM 1483 CB LYS A 94 2.611 -16.714 10.270 1.00 1.91 C ATOM 1484 CG LYS A 94 1.319 -17.275 10.898 1.00 2.43 C ATOM 1485 CD LYS A 94 0.985 -18.607 10.219 1.00 2.69 C ATOM 1486 CE LYS A 94 0.293 -18.314 8.877 1.00 3.62 C ATOM 1487 NZ LYS A 94 0.746 -19.212 7.796 1.00 3.90 N ATOM 0 H LYS A 94 1.548 -15.444 8.088 1.00 1.34 H new ATOM 0 HA LYS A 94 2.416 -14.660 10.821 1.00 1.53 H new ATOM 0 HB2 LYS A 94 2.832 -17.286 9.369 1.00 1.91 H new ATOM 0 HB3 LYS A 94 3.433 -16.883 10.965 1.00 1.91 H new ATOM 0 HG2 LYS A 94 1.451 -17.419 11.970 1.00 2.43 H new ATOM 0 HG3 LYS A 94 0.499 -16.569 10.770 1.00 2.43 H new ATOM 0 HD2 LYS A 94 1.893 -19.187 10.057 1.00 2.69 H new ATOM 0 HD3 LYS A 94 0.334 -19.204 10.858 1.00 2.69 H new ATOM 0 HE2 LYS A 94 -0.785 -18.414 8.999 1.00 3.62 H new ATOM 0 HE3 LYS A 94 0.487 -17.280 8.591 1.00 3.62 H new ATOM 0 HZ1 LYS A 94 0.514 -18.790 6.874 1.00 3.90 H new ATOM 0 HZ2 LYS A 94 1.775 -19.348 7.866 1.00 3.90 H new ATOM 0 HZ3 LYS A 94 0.269 -20.132 7.886 1.00 3.90 H new ATOM 1501 N ALA A 95 5.033 -15.183 9.940 1.00 1.51 N ATOM 1502 CA ALA A 95 6.351 -14.560 9.782 1.00 1.41 C ATOM 1503 C ALA A 95 7.033 -14.920 8.446 1.00 1.49 C ATOM 1504 O ALA A 95 7.312 -16.085 8.181 1.00 2.02 O ATOM 1505 CB ALA A 95 7.213 -14.925 11.000 1.00 1.88 C ATOM 0 H ALA A 95 5.037 -15.989 10.565 1.00 1.51 H new ATOM 0 HA ALA A 95 6.225 -13.478 9.740 1.00 1.41 H new ATOM 0 HB1 ALA A 95 8.198 -14.469 10.898 1.00 1.88 H new ATOM 0 HB2 ALA A 95 6.735 -14.557 11.908 1.00 1.88 H new ATOM 0 HB3 ALA A 95 7.319 -16.008 11.059 1.00 1.88 H new ATOM 1511 N GLY A 96 7.319 -13.897 7.632 1.00 1.69 N ATOM 1512 CA GLY A 96 8.059 -14.001 6.365 1.00 2.52 C ATOM 1513 C GLY A 96 7.189 -14.232 5.128 1.00 2.92 C ATOM 1514 O GLY A 96 7.692 -14.088 4.020 1.00 4.27 O ATOM 0 H GLY A 96 7.033 -12.941 7.843 1.00 1.69 H new ATOM 0 HA2 GLY A 96 8.634 -13.086 6.221 1.00 2.52 H new ATOM 0 HA3 GLY A 96 8.775 -14.819 6.445 1.00 2.52 H new ATOM 1518 N GLU A 97 5.910 -14.564 5.306 1.00 1.95 N ATOM 1519 CA GLU A 97 5.118 -15.258 4.285 1.00 1.63 C ATOM 1520 C GLU A 97 4.698 -14.370 3.111 1.00 1.35 C ATOM 1521 O GLU A 97 4.583 -13.147 3.226 1.00 1.70 O ATOM 1522 CB GLU A 97 3.888 -15.920 4.920 1.00 1.59 C ATOM 1523 CG GLU A 97 4.303 -16.899 6.029 1.00 2.44 C ATOM 1524 CD GLU A 97 3.127 -17.568 6.725 1.00 2.48 C ATOM 1525 OE1 GLU A 97 2.006 -17.007 6.763 1.00 2.41 O ATOM 1526 OE2 GLU A 97 3.318 -18.653 7.321 1.00 3.55 O ATOM 0 H GLU A 97 5.392 -14.360 6.161 1.00 1.95 H new ATOM 0 HA GLU A 97 5.775 -16.020 3.865 1.00 1.63 H new ATOM 0 HB2 GLU A 97 3.230 -15.155 5.332 1.00 1.59 H new ATOM 0 HB3 GLU A 97 3.320 -16.450 4.155 1.00 1.59 H new ATOM 0 HG2 GLU A 97 4.946 -17.668 5.601 1.00 2.44 H new ATOM 0 HG3 GLU A 97 4.896 -16.364 6.771 1.00 2.44 H new ATOM 1533 N GLU A 98 4.478 -15.025 1.978 1.00 1.15 N ATOM 1534 CA GLU A 98 4.332 -14.440 0.653 1.00 1.08 C ATOM 1535 C GLU A 98 2.922 -13.883 0.418 1.00 0.99 C ATOM 1536 O GLU A 98 2.040 -14.562 -0.107 1.00 1.51 O ATOM 1537 CB GLU A 98 4.692 -15.485 -0.426 1.00 1.36 C ATOM 1538 CG GLU A 98 6.116 -16.055 -0.310 1.00 1.90 C ATOM 1539 CD GLU A 98 6.149 -17.404 0.414 1.00 3.13 C ATOM 1540 OE1 GLU A 98 5.560 -17.489 1.520 1.00 4.21 O ATOM 1541 OE2 GLU A 98 6.769 -18.335 -0.139 1.00 4.11 O ATOM 0 H GLU A 98 4.392 -16.041 1.960 1.00 1.15 H new ATOM 0 HA GLU A 98 5.021 -13.598 0.584 1.00 1.08 H new ATOM 0 HB2 GLU A 98 3.979 -16.308 -0.370 1.00 1.36 H new ATOM 0 HB3 GLU A 98 4.575 -15.029 -1.409 1.00 1.36 H new ATOM 0 HG2 GLU A 98 6.540 -16.171 -1.307 1.00 1.90 H new ATOM 0 HG3 GLU A 98 6.746 -15.344 0.224 1.00 1.90 H new ATOM 1548 N VAL A 99 2.710 -12.605 0.738 1.00 0.88 N ATOM 1549 CA VAL A 99 1.506 -11.892 0.286 1.00 0.91 C ATOM 1550 C VAL A 99 1.639 -11.564 -1.198 1.00 0.88 C ATOM 1551 O VAL A 99 2.346 -10.631 -1.582 1.00 0.94 O ATOM 1552 CB VAL A 99 1.205 -10.620 1.102 1.00 0.96 C ATOM 1553 CG1 VAL A 99 0.058 -9.792 0.470 1.00 1.03 C ATOM 1554 CG2 VAL A 99 0.798 -11.036 2.526 1.00 1.01 C ATOM 0 H VAL A 99 3.348 -12.044 1.303 1.00 0.88 H new ATOM 0 HA VAL A 99 0.657 -12.556 0.448 1.00 0.91 H new ATOM 0 HB VAL A 99 2.101 -9.999 1.115 1.00 0.96 H new ATOM 0 HG11 VAL A 99 -0.125 -8.903 1.074 1.00 1.03 H new ATOM 0 HG12 VAL A 99 0.339 -9.493 -0.540 1.00 1.03 H new ATOM 0 HG13 VAL A 99 -0.848 -10.396 0.431 1.00 1.03 H new ATOM 0 HG21 VAL A 99 0.581 -10.146 3.117 1.00 1.01 H new ATOM 0 HG22 VAL A 99 -0.090 -11.667 2.481 1.00 1.01 H new ATOM 0 HG23 VAL A 99 1.614 -11.590 2.990 1.00 1.01 H new ATOM 1564 N GLU A 100 0.879 -12.295 -2.010 1.00 0.84 N ATOM 1565 CA GLU A 100 0.505 -11.835 -3.344 1.00 0.86 C ATOM 1566 C GLU A 100 -0.463 -10.647 -3.252 1.00 0.81 C ATOM 1567 O GLU A 100 -1.395 -10.615 -2.436 1.00 0.93 O ATOM 1568 CB GLU A 100 -0.119 -12.949 -4.193 1.00 0.99 C ATOM 1569 CG GLU A 100 0.901 -13.998 -4.656 1.00 1.32 C ATOM 1570 CD GLU A 100 0.698 -14.325 -6.133 1.00 1.94 C ATOM 1571 OE1 GLU A 100 -0.380 -14.825 -6.521 1.00 2.34 O ATOM 1572 OE2 GLU A 100 1.584 -14.014 -6.957 1.00 3.09 O ATOM 0 H GLU A 100 0.509 -13.213 -1.765 1.00 0.84 H new ATOM 0 HA GLU A 100 1.424 -11.520 -3.838 1.00 0.86 H new ATOM 0 HB2 GLU A 100 -0.901 -13.442 -3.616 1.00 0.99 H new ATOM 0 HB3 GLU A 100 -0.598 -12.507 -5.067 1.00 0.99 H new ATOM 0 HG2 GLU A 100 1.913 -13.626 -4.496 1.00 1.32 H new ATOM 0 HG3 GLU A 100 0.796 -14.904 -4.059 1.00 1.32 H new ATOM 1579 N LEU A 101 -0.247 -9.670 -4.129 1.00 0.80 N ATOM 1580 CA LEU A 101 -1.016 -8.435 -4.204 1.00 0.76 C ATOM 1581 C LEU A 101 -1.041 -7.937 -5.647 1.00 0.73 C ATOM 1582 O LEU A 101 0.002 -7.641 -6.221 1.00 0.84 O ATOM 1583 CB LEU A 101 -0.389 -7.394 -3.256 1.00 0.81 C ATOM 1584 CG LEU A 101 -1.230 -7.112 -2.009 1.00 1.12 C ATOM 1585 CD1 LEU A 101 -0.384 -6.411 -0.958 1.00 1.59 C ATOM 1586 CD2 LEU A 101 -2.414 -6.183 -2.325 1.00 1.48 C ATOM 0 H LEU A 101 0.493 -9.720 -4.829 1.00 0.80 H new ATOM 0 HA LEU A 101 -2.046 -8.608 -3.892 1.00 0.76 H new ATOM 0 HB2 LEU A 101 0.596 -7.744 -2.947 1.00 0.81 H new ATOM 0 HB3 LEU A 101 -0.240 -6.462 -3.801 1.00 0.81 H new ATOM 0 HG LEU A 101 -1.597 -8.074 -1.650 1.00 1.12 H new ATOM 0 HD11 LEU A 101 -0.991 -6.214 -0.074 1.00 1.59 H new ATOM 0 HD12 LEU A 101 0.458 -7.047 -0.686 1.00 1.59 H new ATOM 0 HD13 LEU A 101 -0.012 -5.468 -1.360 1.00 1.59 H new ATOM 0 HD21 LEU A 101 -2.989 -6.005 -1.416 1.00 1.48 H new ATOM 0 HD22 LEU A 101 -2.040 -5.234 -2.710 1.00 1.48 H new ATOM 0 HD23 LEU A 101 -3.054 -6.651 -3.073 1.00 1.48 H new ATOM 1598 N ASP A 102 -2.239 -7.844 -6.214 1.00 0.64 N ATOM 1599 CA ASP A 102 -2.499 -7.267 -7.535 1.00 0.64 C ATOM 1600 C ASP A 102 -2.775 -5.770 -7.364 1.00 0.62 C ATOM 1601 O ASP A 102 -3.860 -5.373 -6.937 1.00 0.67 O ATOM 1602 CB ASP A 102 -3.703 -7.979 -8.186 1.00 0.73 C ATOM 1603 CG ASP A 102 -3.410 -8.823 -9.421 1.00 1.27 C ATOM 1604 OD1 ASP A 102 -2.484 -8.500 -10.189 1.00 2.55 O ATOM 1605 OD2 ASP A 102 -4.216 -9.759 -9.633 1.00 1.72 O ATOM 0 H ASP A 102 -3.086 -8.178 -5.754 1.00 0.64 H new ATOM 0 HA ASP A 102 -1.636 -7.401 -8.187 1.00 0.64 H new ATOM 0 HB2 ASP A 102 -4.165 -8.621 -7.436 1.00 0.73 H new ATOM 0 HB3 ASP A 102 -4.440 -7.223 -8.457 1.00 0.73 H new ATOM 1610 N LEU A 103 -1.787 -4.929 -7.668 1.00 0.68 N ATOM 1611 CA LEU A 103 -1.895 -3.470 -7.621 1.00 0.67 C ATOM 1612 C LEU A 103 -2.745 -2.991 -8.806 1.00 0.61 C ATOM 1613 O LEU A 103 -2.456 -3.355 -9.944 1.00 0.66 O ATOM 1614 CB LEU A 103 -0.479 -2.867 -7.698 1.00 0.77 C ATOM 1615 CG LEU A 103 0.419 -2.966 -6.453 1.00 1.12 C ATOM 1616 CD1 LEU A 103 -0.024 -2.031 -5.326 1.00 3.14 C ATOM 1617 CD2 LEU A 103 0.580 -4.376 -5.880 1.00 1.62 C ATOM 0 H LEU A 103 -0.865 -5.251 -7.962 1.00 0.68 H new ATOM 0 HA LEU A 103 -2.371 -3.152 -6.694 1.00 0.67 H new ATOM 0 HB2 LEU A 103 0.044 -3.347 -8.525 1.00 0.77 H new ATOM 0 HB3 LEU A 103 -0.579 -1.812 -7.954 1.00 0.77 H new ATOM 0 HG LEU A 103 1.391 -2.655 -6.835 1.00 1.12 H new ATOM 0 HD11 LEU A 103 0.647 -2.145 -4.474 1.00 3.14 H new ATOM 0 HD12 LEU A 103 0.006 -0.999 -5.676 1.00 3.14 H new ATOM 0 HD13 LEU A 103 -1.041 -2.282 -5.023 1.00 3.14 H new ATOM 0 HD21 LEU A 103 1.230 -4.341 -5.006 1.00 1.62 H new ATOM 0 HD22 LEU A 103 -0.396 -4.765 -5.591 1.00 1.62 H new ATOM 0 HD23 LEU A 103 1.021 -5.027 -6.635 1.00 1.62 H new ATOM 1629 N LEU A 104 -3.777 -2.179 -8.545 1.00 0.55 N ATOM 1630 CA LEU A 104 -4.717 -1.694 -9.570 1.00 0.52 C ATOM 1631 C LEU A 104 -4.328 -0.291 -10.024 1.00 0.55 C ATOM 1632 O LEU A 104 -4.168 0.611 -9.197 1.00 0.55 O ATOM 1633 CB LEU A 104 -6.177 -1.652 -9.068 1.00 0.49 C ATOM 1634 CG LEU A 104 -6.701 -2.884 -8.317 1.00 0.54 C ATOM 1635 CD1 LEU A 104 -8.186 -2.701 -7.976 1.00 0.60 C ATOM 1636 CD2 LEU A 104 -6.494 -4.200 -9.078 1.00 0.57 C ATOM 0 H LEU A 104 -3.987 -1.835 -7.608 1.00 0.55 H new ATOM 0 HA LEU A 104 -4.657 -2.401 -10.398 1.00 0.52 H new ATOM 0 HB2 LEU A 104 -6.283 -0.788 -8.413 1.00 0.49 H new ATOM 0 HB3 LEU A 104 -6.824 -1.481 -9.928 1.00 0.49 H new ATOM 0 HG LEU A 104 -6.112 -2.961 -7.403 1.00 0.54 H new ATOM 0 HD11 LEU A 104 -8.548 -3.580 -7.443 1.00 0.60 H new ATOM 0 HD12 LEU A 104 -8.309 -1.820 -7.347 1.00 0.60 H new ATOM 0 HD13 LEU A 104 -8.757 -2.573 -8.895 1.00 0.60 H new ATOM 0 HD21 LEU A 104 -6.888 -5.027 -8.488 1.00 0.57 H new ATOM 0 HD22 LEU A 104 -7.017 -4.154 -10.033 1.00 0.57 H new ATOM 0 HD23 LEU A 104 -5.430 -4.355 -9.254 1.00 0.57 H new ATOM 1648 N PHE A 105 -4.257 -0.071 -11.334 1.00 0.60 N ATOM 1649 CA PHE A 105 -3.840 1.205 -11.918 1.00 0.64 C ATOM 1650 C PHE A 105 -4.819 1.710 -12.992 1.00 0.66 C ATOM 1651 O PHE A 105 -5.476 0.932 -13.688 1.00 0.86 O ATOM 1652 CB PHE A 105 -2.446 1.047 -12.535 1.00 0.79 C ATOM 1653 CG PHE A 105 -1.326 0.602 -11.618 1.00 0.76 C ATOM 1654 CD1 PHE A 105 -1.045 -0.769 -11.470 1.00 1.66 C ATOM 1655 CD2 PHE A 105 -0.510 1.554 -10.978 1.00 1.88 C ATOM 1656 CE1 PHE A 105 0.034 -1.184 -10.673 1.00 1.76 C ATOM 1657 CE2 PHE A 105 0.569 1.136 -10.180 1.00 1.83 C ATOM 1658 CZ PHE A 105 0.838 -0.234 -10.025 1.00 0.87 C ATOM 0 H PHE A 105 -4.489 -0.780 -12.029 1.00 0.60 H new ATOM 0 HA PHE A 105 -3.827 1.943 -11.116 1.00 0.64 H new ATOM 0 HB2 PHE A 105 -2.518 0.329 -13.352 1.00 0.79 H new ATOM 0 HB3 PHE A 105 -2.162 2.003 -12.975 1.00 0.79 H new ATOM 0 HD1 PHE A 105 -1.660 -1.503 -11.970 1.00 1.66 H new ATOM 0 HD2 PHE A 105 -0.713 2.608 -11.100 1.00 1.88 H new ATOM 0 HE1 PHE A 105 0.246 -2.237 -10.558 1.00 1.76 H new ATOM 0 HE2 PHE A 105 1.191 1.868 -9.686 1.00 1.83 H new ATOM 0 HZ PHE A 105 1.663 -0.556 -9.407 1.00 0.87 H new ATOM 1668 N ALA A 106 -4.856 3.033 -13.182 1.00 0.68 N ATOM 1669 CA ALA A 106 -5.570 3.654 -14.300 1.00 0.92 C ATOM 1670 C ALA A 106 -5.005 3.160 -15.655 1.00 2.12 C ATOM 1671 O ALA A 106 -3.806 2.892 -15.763 1.00 3.14 O ATOM 1672 CB ALA A 106 -5.495 5.182 -14.144 1.00 1.28 C ATOM 0 H ALA A 106 -4.393 3.701 -12.566 1.00 0.68 H new ATOM 0 HA ALA A 106 -6.620 3.362 -14.288 1.00 0.92 H new ATOM 0 HB1 ALA A 106 -6.023 5.658 -14.970 1.00 1.28 H new ATOM 0 HB2 ALA A 106 -5.957 5.475 -13.201 1.00 1.28 H new ATOM 0 HB3 ALA A 106 -4.452 5.498 -14.150 1.00 1.28 H new ATOM 1678 N GLY A 107 -5.856 3.031 -16.685 1.00 2.89 N ATOM 1679 CA GLY A 107 -5.461 2.516 -18.011 1.00 4.04 C ATOM 1680 C GLY A 107 -5.567 0.992 -18.174 1.00 3.26 C ATOM 1681 O GLY A 107 -4.818 0.411 -18.957 1.00 4.44 O ATOM 0 H GLY A 107 -6.843 3.282 -16.624 1.00 2.89 H new ATOM 0 HA2 GLY A 107 -6.084 2.991 -18.769 1.00 4.04 H new ATOM 0 HA3 GLY A 107 -4.432 2.817 -18.209 1.00 4.04 H new ATOM 1685 N GLY A 108 -6.469 0.342 -17.424 1.00 1.63 N ATOM 1686 CA GLY A 108 -6.744 -1.104 -17.532 1.00 1.28 C ATOM 1687 C GLY A 108 -5.642 -1.986 -16.945 1.00 1.21 C ATOM 1688 O GLY A 108 -5.532 -3.162 -17.282 1.00 1.74 O ATOM 0 H GLY A 108 -7.036 0.808 -16.716 1.00 1.63 H new ATOM 0 HA2 GLY A 108 -7.683 -1.325 -17.024 1.00 1.28 H new ATOM 0 HA3 GLY A 108 -6.882 -1.361 -18.582 1.00 1.28 H new ATOM 1692 N LYS A 109 -4.776 -1.416 -16.105 1.00 0.93 N ATOM 1693 CA LYS A 109 -3.617 -2.106 -15.557 1.00 0.97 C ATOM 1694 C LYS A 109 -3.902 -2.724 -14.187 1.00 0.87 C ATOM 1695 O LYS A 109 -4.516 -2.118 -13.316 1.00 0.88 O ATOM 1696 CB LYS A 109 -2.455 -1.112 -15.488 1.00 1.04 C ATOM 1697 CG LYS A 109 -1.700 -0.992 -16.804 1.00 1.21 C ATOM 1698 CD LYS A 109 -0.659 -2.092 -17.047 1.00 2.72 C ATOM 1699 CE LYS A 109 0.183 -1.766 -18.291 1.00 3.66 C ATOM 1700 NZ LYS A 109 -0.645 -1.635 -19.520 1.00 4.37 N ATOM 0 H LYS A 109 -4.865 -0.451 -15.785 1.00 0.93 H new ATOM 0 HA LYS A 109 -3.358 -2.939 -16.211 1.00 0.97 H new ATOM 0 HB2 LYS A 109 -2.838 -0.132 -15.204 1.00 1.04 H new ATOM 0 HB3 LYS A 109 -1.763 -1.423 -14.705 1.00 1.04 H new ATOM 0 HG2 LYS A 109 -2.420 -1.004 -17.623 1.00 1.21 H new ATOM 0 HG3 LYS A 109 -1.200 -0.024 -16.834 1.00 1.21 H new ATOM 0 HD2 LYS A 109 -0.011 -2.187 -16.176 1.00 2.72 H new ATOM 0 HD3 LYS A 109 -1.159 -3.052 -17.179 1.00 2.72 H new ATOM 0 HE2 LYS A 109 0.729 -0.837 -18.124 1.00 3.66 H new ATOM 0 HE3 LYS A 109 0.926 -2.550 -18.439 1.00 3.66 H new ATOM 0 HZ1 LYS A 109 -0.024 -1.567 -20.351 1.00 4.37 H new ATOM 0 HZ2 LYS A 109 -1.260 -2.468 -19.614 1.00 4.37 H new ATOM 0 HZ3 LYS A 109 -1.230 -0.778 -19.455 1.00 4.37 H new ATOM 1714 N VAL A 110 -3.358 -3.914 -14.005 1.00 0.90 N ATOM 1715 CA VAL A 110 -3.408 -4.727 -12.797 1.00 0.83 C ATOM 1716 C VAL A 110 -2.201 -5.666 -12.816 1.00 0.97 C ATOM 1717 O VAL A 110 -1.919 -6.252 -13.865 1.00 1.07 O ATOM 1718 CB VAL A 110 -4.770 -5.439 -12.669 1.00 0.77 C ATOM 1719 CG1 VAL A 110 -5.214 -6.175 -13.943 1.00 0.91 C ATOM 1720 CG2 VAL A 110 -4.833 -6.387 -11.466 1.00 0.93 C ATOM 0 H VAL A 110 -2.832 -4.373 -14.749 1.00 0.90 H new ATOM 0 HA VAL A 110 -3.337 -4.114 -11.899 1.00 0.83 H new ATOM 0 HB VAL A 110 -5.478 -4.626 -12.506 1.00 0.77 H new ATOM 0 HG11 VAL A 110 -6.180 -6.649 -13.771 1.00 0.91 H new ATOM 0 HG12 VAL A 110 -5.300 -5.463 -14.763 1.00 0.91 H new ATOM 0 HG13 VAL A 110 -4.477 -6.936 -14.199 1.00 0.91 H new ATOM 0 HG21 VAL A 110 -5.814 -6.860 -11.426 1.00 0.93 H new ATOM 0 HG22 VAL A 110 -4.065 -7.154 -11.566 1.00 0.93 H new ATOM 0 HG23 VAL A 110 -4.665 -5.823 -10.549 1.00 0.93 H new ATOM 1730 N LEU A 111 -1.426 -5.684 -11.726 1.00 1.00 N ATOM 1731 CA LEU A 111 -0.075 -6.254 -11.691 1.00 0.97 C ATOM 1732 C LEU A 111 0.246 -6.868 -10.323 1.00 0.97 C ATOM 1733 O LEU A 111 0.277 -6.166 -9.309 1.00 1.03 O ATOM 1734 CB LEU A 111 0.962 -5.149 -12.008 1.00 0.97 C ATOM 1735 CG LEU A 111 0.940 -4.559 -13.433 1.00 1.18 C ATOM 1736 CD1 LEU A 111 1.886 -3.352 -13.509 1.00 1.58 C ATOM 1737 CD2 LEU A 111 1.358 -5.592 -14.491 1.00 1.58 C ATOM 0 H LEU A 111 -1.724 -5.297 -10.830 1.00 1.00 H new ATOM 0 HA LEU A 111 -0.028 -7.045 -12.439 1.00 0.97 H new ATOM 0 HB2 LEU A 111 0.815 -4.333 -11.301 1.00 0.97 H new ATOM 0 HB3 LEU A 111 1.957 -5.555 -11.824 1.00 0.97 H new ATOM 0 HG LEU A 111 -0.085 -4.254 -13.644 1.00 1.18 H new ATOM 0 HD11 LEU A 111 1.868 -2.938 -14.517 1.00 1.58 H new ATOM 0 HD12 LEU A 111 1.563 -2.591 -12.798 1.00 1.58 H new ATOM 0 HD13 LEU A 111 2.900 -3.669 -13.265 1.00 1.58 H new ATOM 0 HD21 LEU A 111 1.328 -5.133 -15.479 1.00 1.58 H new ATOM 0 HD22 LEU A 111 2.370 -5.938 -14.282 1.00 1.58 H new ATOM 0 HD23 LEU A 111 0.672 -6.439 -14.463 1.00 1.58 H new ATOM 1749 N LYS A 112 0.596 -8.158 -10.308 1.00 1.07 N ATOM 1750 CA LYS A 112 0.989 -8.848 -9.080 1.00 1.18 C ATOM 1751 C LYS A 112 2.406 -8.472 -8.617 1.00 1.22 C ATOM 1752 O LYS A 112 3.378 -8.720 -9.330 1.00 1.46 O ATOM 1753 CB LYS A 112 0.871 -10.376 -9.222 1.00 1.55 C ATOM 1754 CG LYS A 112 -0.588 -10.853 -9.307 1.00 1.52 C ATOM 1755 CD LYS A 112 -0.751 -12.325 -8.910 1.00 1.42 C ATOM 1756 CE LYS A 112 0.080 -13.273 -9.783 1.00 1.76 C ATOM 1757 NZ LYS A 112 0.131 -14.625 -9.180 1.00 2.56 N ATOM 0 H LYS A 112 0.614 -8.747 -11.140 1.00 1.07 H new ATOM 0 HA LYS A 112 0.290 -8.513 -8.314 1.00 1.18 H new ATOM 0 HB2 LYS A 112 1.406 -10.696 -10.116 1.00 1.55 H new ATOM 0 HB3 LYS A 112 1.356 -10.854 -8.371 1.00 1.55 H new ATOM 0 HG2 LYS A 112 -1.207 -10.235 -8.657 1.00 1.52 H new ATOM 0 HG3 LYS A 112 -0.954 -10.712 -10.324 1.00 1.52 H new ATOM 0 HD2 LYS A 112 -0.459 -12.449 -7.867 1.00 1.42 H new ATOM 0 HD3 LYS A 112 -1.803 -12.601 -8.982 1.00 1.42 H new ATOM 0 HE2 LYS A 112 -0.353 -13.330 -10.782 1.00 1.76 H new ATOM 0 HE3 LYS A 112 1.091 -12.881 -9.896 1.00 1.76 H new ATOM 0 HZ1 LYS A 112 1.096 -14.819 -8.843 1.00 2.56 H new ATOM 0 HZ2 LYS A 112 -0.531 -14.673 -8.380 1.00 2.56 H new ATOM 0 HZ3 LYS A 112 -0.135 -15.333 -9.893 1.00 2.56 H new ATOM 1771 N VAL A 113 2.525 -7.986 -7.381 1.00 1.15 N ATOM 1772 CA VAL A 113 3.732 -8.152 -6.549 1.00 1.19 C ATOM 1773 C VAL A 113 3.578 -9.398 -5.667 1.00 0.93 C ATOM 1774 O VAL A 113 2.455 -9.840 -5.414 1.00 0.86 O ATOM 1775 CB VAL A 113 4.045 -6.917 -5.671 1.00 1.44 C ATOM 1776 CG1 VAL A 113 4.227 -5.654 -6.528 1.00 1.82 C ATOM 1777 CG2 VAL A 113 2.997 -6.671 -4.574 1.00 1.74 C ATOM 0 H VAL A 113 1.783 -7.460 -6.919 1.00 1.15 H new ATOM 0 HA VAL A 113 4.575 -8.268 -7.230 1.00 1.19 H new ATOM 0 HB VAL A 113 4.985 -7.142 -5.166 1.00 1.44 H new ATOM 0 HG11 VAL A 113 4.446 -4.804 -5.882 1.00 1.82 H new ATOM 0 HG12 VAL A 113 5.053 -5.802 -7.224 1.00 1.82 H new ATOM 0 HG13 VAL A 113 3.312 -5.459 -7.087 1.00 1.82 H new ATOM 0 HG21 VAL A 113 3.276 -5.791 -3.995 1.00 1.74 H new ATOM 0 HG22 VAL A 113 2.021 -6.509 -5.032 1.00 1.74 H new ATOM 0 HG23 VAL A 113 2.949 -7.538 -3.916 1.00 1.74 H new ATOM 1787 N VAL A 114 4.705 -9.919 -5.178 1.00 0.95 N ATOM 1788 CA VAL A 114 4.751 -10.928 -4.110 1.00 0.87 C ATOM 1789 C VAL A 114 5.766 -10.477 -3.058 1.00 1.01 C ATOM 1790 O VAL A 114 6.930 -10.239 -3.373 1.00 1.43 O ATOM 1791 CB VAL A 114 5.019 -12.353 -4.652 1.00 1.04 C ATOM 1792 CG1 VAL A 114 6.338 -12.509 -5.432 1.00 1.50 C ATOM 1793 CG2 VAL A 114 4.957 -13.375 -3.511 1.00 1.99 C ATOM 0 H VAL A 114 5.629 -9.649 -5.517 1.00 0.95 H new ATOM 0 HA VAL A 114 3.772 -11.002 -3.637 1.00 0.87 H new ATOM 0 HB VAL A 114 4.227 -12.541 -5.377 1.00 1.04 H new ATOM 0 HG11 VAL A 114 6.440 -13.539 -5.772 1.00 1.50 H new ATOM 0 HG12 VAL A 114 6.332 -11.841 -6.293 1.00 1.50 H new ATOM 0 HG13 VAL A 114 7.177 -12.257 -4.783 1.00 1.50 H new ATOM 0 HG21 VAL A 114 5.147 -14.373 -3.906 1.00 1.99 H new ATOM 0 HG22 VAL A 114 5.711 -13.131 -2.763 1.00 1.99 H new ATOM 0 HG23 VAL A 114 3.969 -13.349 -3.052 1.00 1.99 H new ATOM 1803 N LEU A 115 5.287 -10.269 -1.827 1.00 0.83 N ATOM 1804 CA LEU A 115 6.019 -9.565 -0.767 1.00 0.91 C ATOM 1805 C LEU A 115 5.909 -10.303 0.584 1.00 0.90 C ATOM 1806 O LEU A 115 4.828 -10.798 0.920 1.00 1.05 O ATOM 1807 CB LEU A 115 5.462 -8.135 -0.612 1.00 1.12 C ATOM 1808 CG LEU A 115 5.565 -7.229 -1.857 1.00 1.48 C ATOM 1809 CD1 LEU A 115 4.858 -5.902 -1.557 1.00 1.97 C ATOM 1810 CD2 LEU A 115 7.007 -6.936 -2.298 1.00 2.11 C ATOM 0 H LEU A 115 4.364 -10.590 -1.534 1.00 0.83 H new ATOM 0 HA LEU A 115 7.070 -9.530 -1.054 1.00 0.91 H new ATOM 0 HB2 LEU A 115 4.413 -8.204 -0.324 1.00 1.12 H new ATOM 0 HB3 LEU A 115 5.987 -7.649 0.210 1.00 1.12 H new ATOM 0 HG LEU A 115 5.093 -7.768 -2.679 1.00 1.48 H new ATOM 0 HD11 LEU A 115 4.922 -5.250 -2.428 1.00 1.97 H new ATOM 0 HD12 LEU A 115 3.811 -6.093 -1.323 1.00 1.97 H new ATOM 0 HD13 LEU A 115 5.338 -5.418 -0.706 1.00 1.97 H new ATOM 0 HD21 LEU A 115 6.995 -6.294 -3.178 1.00 2.11 H new ATOM 0 HD22 LEU A 115 7.540 -6.434 -1.490 1.00 2.11 H new ATOM 0 HD23 LEU A 115 7.511 -7.872 -2.539 1.00 2.11 H new ATOM 1822 N PRO A 116 6.992 -10.345 1.381 1.00 0.87 N ATOM 1823 CA PRO A 116 7.008 -10.997 2.680 1.00 0.92 C ATOM 1824 C PRO A 116 6.178 -10.228 3.711 1.00 0.96 C ATOM 1825 O PRO A 116 6.087 -9.002 3.696 1.00 1.05 O ATOM 1826 CB PRO A 116 8.482 -11.042 3.099 1.00 0.97 C ATOM 1827 CG PRO A 116 9.059 -9.799 2.426 1.00 0.93 C ATOM 1828 CD PRO A 116 8.308 -9.793 1.096 1.00 0.87 C ATOM 0 HA PRO A 116 6.567 -11.992 2.623 1.00 0.92 H new ATOM 0 HB2 PRO A 116 8.596 -11.006 4.182 1.00 0.97 H new ATOM 0 HB3 PRO A 116 8.973 -11.953 2.757 1.00 0.97 H new ATOM 0 HG2 PRO A 116 8.872 -8.895 3.006 1.00 0.93 H new ATOM 0 HG3 PRO A 116 10.138 -9.872 2.287 1.00 0.93 H new ATOM 0 HD2 PRO A 116 8.230 -8.782 0.696 1.00 0.87 H new ATOM 0 HD3 PRO A 116 8.830 -10.392 0.350 1.00 0.87 H new ATOM 1836 N VAL A 117 5.632 -10.948 4.679 1.00 1.01 N ATOM 1837 CA VAL A 117 5.167 -10.392 5.949 1.00 1.15 C ATOM 1838 C VAL A 117 6.359 -10.155 6.903 1.00 1.22 C ATOM 1839 O VAL A 117 7.170 -11.048 7.147 1.00 1.29 O ATOM 1840 CB VAL A 117 4.131 -11.347 6.568 1.00 1.30 C ATOM 1841 CG1 VAL A 117 3.727 -10.918 7.979 1.00 1.48 C ATOM 1842 CG2 VAL A 117 2.859 -11.444 5.712 1.00 1.40 C ATOM 0 H VAL A 117 5.495 -11.956 4.606 1.00 1.01 H new ATOM 0 HA VAL A 117 4.692 -9.426 5.777 1.00 1.15 H new ATOM 0 HB VAL A 117 4.618 -12.321 6.611 1.00 1.30 H new ATOM 0 HG11 VAL A 117 2.995 -11.620 8.377 1.00 1.48 H new ATOM 0 HG12 VAL A 117 4.607 -10.908 8.622 1.00 1.48 H new ATOM 0 HG13 VAL A 117 3.291 -9.920 7.945 1.00 1.48 H new ATOM 0 HG21 VAL A 117 2.154 -12.128 6.184 1.00 1.40 H new ATOM 0 HG22 VAL A 117 2.404 -10.458 5.624 1.00 1.40 H new ATOM 0 HG23 VAL A 117 3.116 -11.815 4.720 1.00 1.40 H new ATOM 1852 N GLU A 118 6.413 -8.951 7.474 1.00 1.29 N ATOM 1853 CA GLU A 118 7.147 -8.554 8.689 1.00 1.33 C ATOM 1854 C GLU A 118 6.083 -8.068 9.715 1.00 1.22 C ATOM 1855 O GLU A 118 4.967 -8.579 9.678 1.00 1.20 O ATOM 1856 CB GLU A 118 8.278 -7.587 8.278 1.00 1.56 C ATOM 1857 CG GLU A 118 9.169 -6.961 9.373 1.00 2.66 C ATOM 1858 CD GLU A 118 8.902 -5.456 9.543 1.00 3.61 C ATOM 1859 OE1 GLU A 118 7.707 -5.083 9.585 1.00 4.41 O ATOM 1860 OE2 GLU A 118 9.859 -4.661 9.598 1.00 4.29 O ATOM 0 H GLU A 118 5.907 -8.162 7.072 1.00 1.29 H new ATOM 0 HA GLU A 118 7.683 -9.352 9.203 1.00 1.33 H new ATOM 0 HB2 GLU A 118 8.932 -8.121 7.589 1.00 1.56 H new ATOM 0 HB3 GLU A 118 7.824 -6.770 7.718 1.00 1.56 H new ATOM 0 HG2 GLU A 118 8.991 -7.470 10.320 1.00 2.66 H new ATOM 0 HG3 GLU A 118 10.218 -7.117 9.120 1.00 2.66 H new ATOM 1867 N ALA A 119 6.354 -7.168 10.670 1.00 1.88 N ATOM 1868 CA ALA A 119 5.506 -6.963 11.855 1.00 1.81 C ATOM 1869 C ALA A 119 5.542 -5.574 12.525 1.00 2.00 C ATOM 1870 O ALA A 119 4.953 -5.423 13.600 1.00 2.93 O ATOM 1871 CB ALA A 119 5.865 -8.076 12.855 1.00 1.90 C ATOM 0 H ALA A 119 7.171 -6.558 10.643 1.00 1.88 H new ATOM 0 HA ALA A 119 4.473 -7.010 11.509 1.00 1.81 H new ATOM 0 HB1 ALA A 119 5.259 -7.966 13.755 1.00 1.90 H new ATOM 0 HB2 ALA A 119 5.670 -9.048 12.403 1.00 1.90 H new ATOM 0 HB3 ALA A 119 6.921 -8.003 13.117 1.00 1.90 H new ATOM 1877 N ARG A 120 6.187 -4.570 11.918 1.00 1.91 N ATOM 1878 CA ARG A 120 6.262 -3.192 12.469 1.00 2.13 C ATOM 1879 C ARG A 120 4.981 -2.389 12.251 1.00 2.18 C ATOM 1880 O ARG A 120 4.421 -1.916 13.263 1.00 2.63 O ATOM 1881 CB ARG A 120 7.573 -2.447 12.098 1.00 2.82 C ATOM 1882 CG ARG A 120 7.523 -1.381 10.980 1.00 3.33 C ATOM 1883 CD ARG A 120 7.466 -2.023 9.594 1.00 3.32 C ATOM 1884 NE ARG A 120 6.978 -1.132 8.522 1.00 4.83 N ATOM 1885 CZ ARG A 120 7.632 -0.281 7.758 1.00 6.09 C ATOM 1886 NH1 ARG A 120 8.793 0.218 8.071 1.00 6.30 N ATOM 1887 NH2 ARG A 120 7.105 0.100 6.632 1.00 7.72 N ATOM 1888 OXT ARG A 120 4.500 -2.300 11.096 1.00 2.64 O ATOM 0 H ARG A 120 6.675 -4.680 11.029 1.00 1.91 H new ATOM 0 HA ARG A 120 6.327 -3.304 13.551 1.00 2.13 H new ATOM 0 HB2 ARG A 120 7.947 -1.964 13.001 1.00 2.82 H new ATOM 0 HB3 ARG A 120 8.310 -3.196 11.809 1.00 2.82 H new ATOM 0 HG2 ARG A 120 6.650 -0.744 11.123 1.00 3.33 H new ATOM 0 HG3 ARG A 120 8.401 -0.739 11.049 1.00 3.33 H new ATOM 0 HD2 ARG A 120 8.463 -2.375 9.330 1.00 3.32 H new ATOM 0 HD3 ARG A 120 6.821 -2.900 9.641 1.00 3.32 H new ATOM 0 HE ARG A 120 5.975 -1.184 8.345 1.00 4.83 H new ATOM 0 HH11 ARG A 120 9.242 -0.047 8.948 1.00 6.30 H new ATOM 0 HH12 ARG A 120 9.253 0.874 7.440 1.00 6.30 H new ATOM 0 HH21 ARG A 120 6.194 -0.260 6.348 1.00 7.72 H new ATOM 0 HH22 ARG A 120 7.603 0.759 6.033 1.00 7.72 H new