USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 493 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 Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -155:sc= -0.792 (180deg=-2.14!) USER MOD Single : A 5 MET CE :methyl 161:sc= -0.138 (180deg=-0.522) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -126:sc= -0.521 (180deg=-3.19!) USER MOD Single : A 13 ASN : amide:sc= -6.27! C(o=-6.3!,f=-16!) USER MOD Single : A 16 LYS NZ :NH3+ -136:sc= -0.14 (180deg=-2.37!) USER MOD Single : A 22 THR OG1 : rot 96:sc= 0.803 USER MOD Single : A 27 SER OG : rot 180:sc= -0.65 USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= 0.315 (180deg=-1.55!) USER MOD Single : A 33 HIS : no HD1:sc= -2.62! C(o=-2.6!,f=-2.6!) USER MOD Single : A 35 SER OG : rot -53:sc=0.000807 USER MOD Single : A 38 GLN :FLIP amide:sc= -2.17! C(o=-3.3!,f=-2.2!) USER MOD Single : A 39 ASN : amide:sc= 0.0654 K(o=0.065,f=-2.6!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0124) USER MOD Single : A 44 SER OG : rot 36:sc= 1.03 USER MOD Single : A 49 GLN : amide:sc= -9.52! C(o=-9.5!,f=-11!) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -0.7 (180deg=-1.45) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 54 THR OG1 : rot -69:sc= 1.17 USER MOD Single : A 57 SER OG : rot -17:sc= 0.444 USER MOD Single : A 60 LYS NZ :NH3+ 154:sc= -1.34 (180deg=-2.3!) USER MOD Single : A 66 ASN : amide:sc= -5.01! C(o=-5!,f=-13!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 69 SER OG : rot 39:sc= 0.0585 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -8.916 1.709 13.606 1.00 0.00 N ATOM 2 CA SER A 2 -9.615 0.443 13.740 1.00 0.00 C ATOM 3 C SER A 2 -8.615 -0.705 13.589 1.00 0.00 C ATOM 4 O SER A 2 -8.607 -1.599 14.448 1.00 0.00 O ATOM 5 CB SER A 2 -10.737 0.310 12.708 1.00 0.00 C ATOM 6 OG SER A 2 -12.022 0.512 13.287 1.00 0.00 O ATOM 0 HA SER A 2 -10.074 0.404 14.728 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.582 1.035 11.909 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.696 -0.680 12.253 1.00 0.00 H new ATOM 0 HG SER A 2 -12.710 0.420 12.596 1.00 0.00 H new ATOM 12 N GLY A 3 -7.804 -0.661 12.516 1.00 0.00 N ATOM 13 CA GLY A 3 -6.811 -1.689 12.257 1.00 0.00 C ATOM 14 C GLY A 3 -6.316 -1.563 10.815 1.00 0.00 C ATOM 15 O GLY A 3 -5.096 -1.474 10.616 1.00 0.00 O ATOM 0 H GLY A 3 -7.827 0.083 11.819 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -5.976 -1.587 12.950 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -7.242 -2.677 12.420 1.00 0.00 H new ATOM 19 N LYS A 4 -7.258 -1.560 9.854 1.00 0.00 N ATOM 20 CA LYS A 4 -6.919 -1.447 8.446 1.00 0.00 C ATOM 21 C LYS A 4 -7.132 -0.002 7.988 1.00 0.00 C ATOM 22 O LYS A 4 -7.891 0.719 8.651 1.00 0.00 O ATOM 23 CB LYS A 4 -7.700 -2.474 7.623 1.00 0.00 C ATOM 24 CG LYS A 4 -7.022 -3.844 7.670 1.00 0.00 C ATOM 25 CD LYS A 4 -8.039 -4.968 7.465 1.00 0.00 C ATOM 26 CE LYS A 4 -8.241 -5.261 5.977 1.00 0.00 C ATOM 27 NZ LYS A 4 -8.715 -4.058 5.274 1.00 0.00 N ATOM 0 H LYS A 4 -8.258 -1.635 10.040 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.866 -1.680 8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.717 -2.554 8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.774 -2.136 6.589 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.253 -3.900 6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.521 -3.973 8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.697 -5.869 7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.991 -4.689 7.917 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.304 -5.601 5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.962 -6.069 5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.237 -4.338 4.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.342 -3.514 5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.901 -3.470 5.005 1.00 0.00 H new ATOM 41 N MET A 5 -6.471 0.383 6.884 1.00 0.00 N ATOM 42 CA MET A 5 -6.587 1.728 6.346 1.00 0.00 C ATOM 43 C MET A 5 -6.227 1.711 4.859 1.00 0.00 C ATOM 44 O MET A 5 -5.638 0.720 4.406 1.00 0.00 O ATOM 45 CB MET A 5 -5.649 2.682 7.088 1.00 0.00 C ATOM 46 CG MET A 5 -4.419 1.940 7.616 1.00 0.00 C ATOM 47 SD MET A 5 -3.320 3.097 8.486 1.00 0.00 S ATOM 48 CE MET A 5 -4.308 3.408 9.978 1.00 0.00 C ATOM 0 H MET A 5 -5.851 -0.228 6.353 1.00 0.00 H new ATOM 0 HA MET A 5 -7.613 2.074 6.475 1.00 0.00 H new ATOM 0 HB2 MET A 5 -5.335 3.483 6.419 1.00 0.00 H new ATOM 0 HB3 MET A 5 -6.181 3.149 7.917 1.00 0.00 H new ATOM 0 HG2 MET A 5 -4.728 1.142 8.291 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.885 1.470 6.790 1.00 0.00 H new ATOM 0 HE1 MET A 5 -3.667 3.812 10.761 1.00 0.00 H new ATOM 0 HE2 MET A 5 -5.097 4.125 9.749 1.00 0.00 H new ATOM 0 HE3 MET A 5 -4.754 2.474 10.320 1.00 0.00 H new ATOM 58 N THR A 6 -6.584 2.792 4.142 1.00 0.00 N ATOM 59 CA THR A 6 -6.301 2.901 2.721 1.00 0.00 C ATOM 60 C THR A 6 -4.831 3.281 2.526 1.00 0.00 C ATOM 61 O THR A 6 -4.159 3.569 3.526 1.00 0.00 O ATOM 62 CB THR A 6 -7.275 3.905 2.102 1.00 0.00 C ATOM 63 OG1 THR A 6 -6.865 5.160 2.638 1.00 0.00 O ATOM 64 CG2 THR A 6 -8.704 3.728 2.619 1.00 0.00 C ATOM 0 H THR A 6 -7.070 3.598 4.535 1.00 0.00 H new ATOM 0 HA THR A 6 -6.449 1.950 2.210 1.00 0.00 H new ATOM 0 HB THR A 6 -7.266 3.800 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.443 5.870 2.287 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.355 4.465 2.149 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.057 2.725 2.377 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.720 3.868 3.700 1.00 0.00 H new ATOM 72 N GLY A 7 -4.369 3.273 1.263 1.00 0.00 N ATOM 73 CA GLY A 7 -2.993 3.615 0.944 1.00 0.00 C ATOM 74 C GLY A 7 -2.656 3.099 -0.458 1.00 0.00 C ATOM 75 O GLY A 7 -2.882 1.908 -0.717 1.00 0.00 O ATOM 0 H GLY A 7 -4.939 3.031 0.452 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.855 4.695 0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.317 3.176 1.678 1.00 0.00 H new ATOM 79 N ILE A 8 -2.130 3.989 -1.317 1.00 0.00 N ATOM 80 CA ILE A 8 -1.766 3.626 -2.675 1.00 0.00 C ATOM 81 C ILE A 8 -0.371 2.997 -2.675 1.00 0.00 C ATOM 82 O ILE A 8 0.490 3.474 -1.922 1.00 0.00 O ATOM 83 CB ILE A 8 -1.896 4.833 -3.607 1.00 0.00 C ATOM 84 CG1 ILE A 8 -0.534 5.487 -3.849 1.00 0.00 C ATOM 85 CG2 ILE A 8 -2.925 5.831 -3.070 1.00 0.00 C ATOM 86 CD1 ILE A 8 -0.693 6.963 -4.222 1.00 0.00 C ATOM 0 H ILE A 8 -1.951 4.966 -1.083 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.454 2.876 -3.065 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.261 4.483 -4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.080 5.399 -2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.011 4.961 -4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.999 6.679 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.897 5.344 -2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.613 6.181 -2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.290 7.404 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.287 7.046 -5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.195 7.491 -3.411 1.00 0.00 H new ATOM 98 N VAL A 9 -0.179 1.957 -3.505 1.00 0.00 N ATOM 99 CA VAL A 9 1.099 1.271 -3.598 1.00 0.00 C ATOM 100 C VAL A 9 1.864 1.794 -4.816 1.00 0.00 C ATOM 101 O VAL A 9 1.249 1.934 -5.883 1.00 0.00 O ATOM 102 CB VAL A 9 0.880 -0.242 -3.634 1.00 0.00 C ATOM 103 CG1 VAL A 9 -0.176 -0.620 -4.676 1.00 0.00 C ATOM 104 CG2 VAL A 9 2.196 -0.981 -3.894 1.00 0.00 C ATOM 0 H VAL A 9 -0.902 1.580 -4.118 1.00 0.00 H new ATOM 0 HA VAL A 9 1.708 1.476 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 9 0.510 -0.550 -2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.312 -1.701 -4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.121 -0.137 -4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.152 -0.291 -5.662 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.012 -2.055 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.608 -0.665 -4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.906 -0.750 -3.100 1.00 0.00 H new ATOM 114 N LYS A 10 3.169 2.066 -4.636 1.00 0.00 N ATOM 115 CA LYS A 10 4.006 2.568 -5.711 1.00 0.00 C ATOM 116 C LYS A 10 5.451 2.117 -5.479 1.00 0.00 C ATOM 117 O LYS A 10 6.350 2.654 -6.143 1.00 0.00 O ATOM 118 CB LYS A 10 3.851 4.084 -5.851 1.00 0.00 C ATOM 119 CG LYS A 10 2.378 4.492 -5.767 1.00 0.00 C ATOM 120 CD LYS A 10 2.218 6.004 -5.947 1.00 0.00 C ATOM 121 CE LYS A 10 1.166 6.320 -7.012 1.00 0.00 C ATOM 122 NZ LYS A 10 0.725 7.720 -6.901 1.00 0.00 N ATOM 0 H LYS A 10 3.657 1.942 -3.749 1.00 0.00 H new ATOM 0 HA LYS A 10 3.689 2.150 -6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.417 4.586 -5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.269 4.410 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.807 3.968 -6.534 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.968 4.191 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.929 6.458 -4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.174 6.443 -6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.579 6.140 -8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.312 5.653 -6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.311 7.752 -6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.154 8.153 -6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.021 8.245 -7.748 1.00 0.00 H new ATOM 136 N TRP A 11 5.642 1.157 -4.559 1.00 0.00 N ATOM 137 CA TRP A 11 6.964 0.642 -4.246 1.00 0.00 C ATOM 138 C TRP A 11 6.870 -0.861 -3.971 1.00 0.00 C ATOM 139 O TRP A 11 7.690 -1.371 -3.194 1.00 0.00 O ATOM 140 CB TRP A 11 7.574 1.425 -3.082 1.00 0.00 C ATOM 141 CG TRP A 11 7.428 2.943 -3.207 1.00 0.00 C ATOM 142 CD1 TRP A 11 8.375 3.841 -3.512 1.00 0.00 C ATOM 143 CD2 TRP A 11 6.220 3.708 -3.018 1.00 0.00 C ATOM 144 NE1 TRP A 11 7.867 5.123 -3.533 1.00 0.00 N ATOM 145 CE2 TRP A 11 6.514 5.041 -3.223 1.00 0.00 C ATOM 146 CE3 TRP A 11 4.919 3.288 -2.685 1.00 0.00 C ATOM 147 CZ2 TRP A 11 5.562 6.061 -3.117 1.00 0.00 C ATOM 148 CZ3 TRP A 11 3.980 4.322 -2.583 1.00 0.00 C ATOM 149 CH2 TRP A 11 4.261 5.667 -2.785 1.00 0.00 C ATOM 0 H TRP A 11 4.888 0.728 -4.023 1.00 0.00 H new ATOM 0 HA TRP A 11 7.634 0.777 -5.095 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.104 1.101 -2.154 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.633 1.177 -3.007 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.406 3.592 -3.716 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.388 5.975 -3.738 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.665 2.251 -2.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.818 7.097 -3.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.965 4.054 -2.329 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.479 6.405 -2.686 1.00 0.00 H new ATOM 160 N PHE A 12 5.889 -1.527 -4.605 1.00 0.00 N ATOM 161 CA PHE A 12 5.692 -2.956 -4.429 1.00 0.00 C ATOM 162 C PHE A 12 6.643 -3.715 -5.360 1.00 0.00 C ATOM 163 O PHE A 12 6.519 -3.560 -6.583 1.00 0.00 O ATOM 164 CB PHE A 12 4.226 -3.311 -4.742 1.00 0.00 C ATOM 165 CG PHE A 12 4.041 -4.334 -5.853 1.00 0.00 C ATOM 166 CD1 PHE A 12 3.940 -3.910 -7.198 1.00 0.00 C ATOM 167 CD2 PHE A 12 3.977 -5.714 -5.550 1.00 0.00 C ATOM 168 CE1 PHE A 12 3.773 -4.857 -8.231 1.00 0.00 C ATOM 169 CE2 PHE A 12 3.810 -6.661 -6.584 1.00 0.00 C ATOM 170 CZ PHE A 12 3.708 -6.232 -7.924 1.00 0.00 C ATOM 0 H PHE A 12 5.225 -1.088 -5.243 1.00 0.00 H new ATOM 0 HA PHE A 12 5.908 -3.241 -3.399 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.757 -3.692 -3.835 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.696 -2.399 -5.015 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.991 -2.858 -7.436 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.056 -6.044 -4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.695 -4.529 -9.257 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.760 -7.714 -6.349 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.580 -6.956 -8.715 1.00 0.00 H new ATOM 180 N ASN A 13 7.558 -4.505 -4.771 1.00 0.00 N ATOM 181 CA ASN A 13 8.517 -5.278 -5.540 1.00 0.00 C ATOM 182 C ASN A 13 8.441 -6.745 -5.116 1.00 0.00 C ATOM 183 O ASN A 13 9.183 -7.136 -4.202 1.00 0.00 O ATOM 184 CB ASN A 13 9.945 -4.788 -5.292 1.00 0.00 C ATOM 185 CG ASN A 13 10.171 -4.484 -3.810 1.00 0.00 C ATOM 186 OD1 ASN A 13 10.774 -5.250 -3.077 1.00 0.00 O ATOM 187 ND2 ASN A 13 9.652 -3.326 -3.411 1.00 0.00 N ATOM 0 H ASN A 13 7.644 -4.617 -3.761 1.00 0.00 H new ATOM 0 HA ASN A 13 8.274 -5.162 -6.596 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.656 -5.545 -5.624 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.134 -3.892 -5.884 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.747 -3.032 -2.439 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.159 -2.732 -4.077 1.00 0.00 H new ATOM 194 N ALA A 14 7.561 -7.519 -5.777 1.00 0.00 N ATOM 195 CA ALA A 14 7.392 -8.929 -5.472 1.00 0.00 C ATOM 196 C ALA A 14 8.540 -9.725 -6.098 1.00 0.00 C ATOM 197 O ALA A 14 8.382 -10.940 -6.284 1.00 0.00 O ATOM 198 CB ALA A 14 6.106 -9.447 -6.121 1.00 0.00 C ATOM 0 H ALA A 14 6.959 -7.179 -6.527 1.00 0.00 H new ATOM 0 HA ALA A 14 7.365 -9.046 -4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.983 -10.505 -5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.253 -8.889 -5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.165 -9.316 -7.201 1.00 0.00 H new ATOM 204 N ASP A 15 9.651 -9.033 -6.408 1.00 0.00 N ATOM 205 CA ASP A 15 10.812 -9.670 -7.007 1.00 0.00 C ATOM 206 C ASP A 15 11.917 -9.798 -5.957 1.00 0.00 C ATOM 207 O ASP A 15 12.265 -10.934 -5.602 1.00 0.00 O ATOM 208 CB ASP A 15 11.358 -8.839 -8.169 1.00 0.00 C ATOM 209 CG ASP A 15 10.752 -9.164 -9.537 1.00 0.00 C ATOM 210 OD1 ASP A 15 9.465 -9.081 -9.597 1.00 0.00 O ATOM 211 OD2 ASP A 15 11.472 -9.481 -10.495 1.00 0.00 O ATOM 0 H ASP A 15 9.758 -8.031 -6.249 1.00 0.00 H new ATOM 0 HA ASP A 15 10.506 -10.649 -7.376 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.187 -7.784 -7.954 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.437 -8.982 -8.223 1.00 0.00 H new ATOM 216 N LYS A 16 12.439 -8.650 -5.490 1.00 0.00 N ATOM 217 CA LYS A 16 13.495 -8.634 -4.491 1.00 0.00 C ATOM 218 C LYS A 16 12.983 -9.284 -3.204 1.00 0.00 C ATOM 219 O LYS A 16 13.736 -10.057 -2.594 1.00 0.00 O ATOM 220 CB LYS A 16 14.024 -7.212 -4.293 1.00 0.00 C ATOM 221 CG LYS A 16 13.006 -6.177 -4.777 1.00 0.00 C ATOM 222 CD LYS A 16 13.120 -5.959 -6.288 1.00 0.00 C ATOM 223 CE LYS A 16 13.562 -4.529 -6.604 1.00 0.00 C ATOM 224 NZ LYS A 16 12.443 -3.758 -7.169 1.00 0.00 N ATOM 0 H LYS A 16 12.138 -7.725 -5.796 1.00 0.00 H new ATOM 0 HA LYS A 16 14.348 -9.223 -4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.244 -7.045 -3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.960 -7.089 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.998 -6.510 -4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.167 -5.233 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.836 -6.666 -6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.159 -6.159 -6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.924 -4.045 -5.697 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.393 -4.546 -7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.779 -3.205 -7.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.694 -4.409 -7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.065 -3.114 -6.445 1.00 0.00 H new ATOM 238 N GLY A 17 11.734 -8.965 -2.823 1.00 0.00 N ATOM 239 CA GLY A 17 11.131 -9.514 -1.621 1.00 0.00 C ATOM 240 C GLY A 17 10.734 -8.369 -0.685 1.00 0.00 C ATOM 241 O GLY A 17 11.134 -8.402 0.488 1.00 0.00 O ATOM 0 H GLY A 17 11.130 -8.326 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.255 -10.108 -1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.833 -10.181 -1.121 1.00 0.00 H new ATOM 245 N PHE A 18 9.971 -7.397 -1.215 1.00 0.00 N ATOM 246 CA PHE A 18 9.526 -6.256 -0.432 1.00 0.00 C ATOM 247 C PHE A 18 8.500 -5.459 -1.238 1.00 0.00 C ATOM 248 O PHE A 18 8.360 -5.725 -2.441 1.00 0.00 O ATOM 249 CB PHE A 18 10.743 -5.379 -0.078 1.00 0.00 C ATOM 250 CG PHE A 18 11.481 -5.798 1.188 1.00 0.00 C ATOM 251 CD1 PHE A 18 10.859 -5.675 2.451 1.00 0.00 C ATOM 252 CD2 PHE A 18 12.797 -6.309 1.104 1.00 0.00 C ATOM 253 CE1 PHE A 18 11.547 -6.061 3.621 1.00 0.00 C ATOM 254 CE2 PHE A 18 13.484 -6.694 2.274 1.00 0.00 C ATOM 255 CZ PHE A 18 12.860 -6.570 3.533 1.00 0.00 C ATOM 0 H PHE A 18 9.655 -7.389 -2.185 1.00 0.00 H new ATOM 0 HA PHE A 18 9.057 -6.593 0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 18 11.443 -5.397 -0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 18 10.410 -4.347 0.036 1.00 0.00 H new ATOM 0 HD1 PHE A 18 9.854 -5.285 2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.277 -6.405 0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 18 11.068 -5.967 4.584 1.00 0.00 H new ATOM 0 HE2 PHE A 18 14.489 -7.084 2.206 1.00 0.00 H new ATOM 0 HZ PHE A 18 13.387 -6.864 4.429 1.00 0.00 H new ATOM 265 N GLY A 19 7.814 -4.512 -0.574 1.00 0.00 N ATOM 266 CA GLY A 19 6.811 -3.686 -1.223 1.00 0.00 C ATOM 267 C GLY A 19 6.391 -2.560 -0.276 1.00 0.00 C ATOM 268 O GLY A 19 5.730 -2.852 0.731 1.00 0.00 O ATOM 0 H GLY A 19 7.946 -4.308 0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.210 -3.269 -2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.945 -4.291 -1.494 1.00 0.00 H new ATOM 272 N PHE A 20 6.777 -1.316 -0.612 1.00 0.00 N ATOM 273 CA PHE A 20 6.444 -0.161 0.202 1.00 0.00 C ATOM 274 C PHE A 20 5.124 0.437 -0.286 1.00 0.00 C ATOM 275 O PHE A 20 4.809 0.284 -1.476 1.00 0.00 O ATOM 276 CB PHE A 20 7.581 0.874 0.106 1.00 0.00 C ATOM 277 CG PHE A 20 8.381 1.060 1.389 1.00 0.00 C ATOM 278 CD1 PHE A 20 7.729 1.407 2.595 1.00 0.00 C ATOM 279 CD2 PHE A 20 9.786 0.892 1.378 1.00 0.00 C ATOM 280 CE1 PHE A 20 8.474 1.582 3.779 1.00 0.00 C ATOM 281 CE2 PHE A 20 10.530 1.067 2.564 1.00 0.00 C ATOM 282 CZ PHE A 20 9.875 1.412 3.765 1.00 0.00 C ATOM 0 H PHE A 20 7.321 -1.097 -1.447 1.00 0.00 H new ATOM 0 HA PHE A 20 6.329 -0.457 1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.262 0.573 -0.690 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.156 1.835 -0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.657 1.538 2.609 1.00 0.00 H new ATOM 0 HD2 PHE A 20 10.290 0.629 0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.972 1.846 4.698 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.602 0.937 2.552 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.445 1.546 4.673 1.00 0.00 H new ATOM 292 N ILE A 21 4.386 1.097 0.626 1.00 0.00 N ATOM 293 CA ILE A 21 3.112 1.710 0.290 1.00 0.00 C ATOM 294 C ILE A 21 3.074 3.134 0.849 1.00 0.00 C ATOM 295 O ILE A 21 3.877 3.439 1.744 1.00 0.00 O ATOM 296 CB ILE A 21 1.953 0.833 0.763 1.00 0.00 C ATOM 297 CG1 ILE A 21 1.854 -0.444 -0.075 1.00 0.00 C ATOM 298 CG2 ILE A 21 0.639 1.616 0.772 1.00 0.00 C ATOM 299 CD1 ILE A 21 0.642 -1.281 0.341 1.00 0.00 C ATOM 0 H ILE A 21 4.662 1.213 1.601 1.00 0.00 H new ATOM 0 HA ILE A 21 3.000 1.788 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 21 2.153 0.529 1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.776 -0.185 -1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.764 -1.032 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.168 0.968 1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.728 2.469 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.420 1.970 -0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.595 -2.182 -0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.735 -1.559 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.268 -0.699 0.199 1.00 0.00 H new ATOM 311 N THR A 22 2.157 3.964 0.320 1.00 0.00 N ATOM 312 CA THR A 22 2.019 5.341 0.765 1.00 0.00 C ATOM 313 C THR A 22 0.646 5.526 1.416 1.00 0.00 C ATOM 314 O THR A 22 -0.365 5.349 0.722 1.00 0.00 O ATOM 315 CB THR A 22 2.253 6.266 -0.431 1.00 0.00 C ATOM 316 OG1 THR A 22 3.627 6.629 -0.327 1.00 0.00 O ATOM 317 CG2 THR A 22 1.506 7.595 -0.300 1.00 0.00 C ATOM 0 H THR A 22 1.505 3.694 -0.416 1.00 0.00 H new ATOM 0 HA THR A 22 2.761 5.595 1.522 1.00 0.00 H new ATOM 0 HB THR A 22 1.939 5.762 -1.345 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.165 6.040 -0.897 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.707 8.213 -1.175 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.435 7.405 -0.228 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.843 8.115 0.597 1.00 0.00 H new ATOM 325 N PRO A 23 0.640 5.874 2.716 1.00 0.00 N ATOM 326 CA PRO A 23 -0.576 6.087 3.482 1.00 0.00 C ATOM 327 C PRO A 23 -1.225 7.423 3.116 1.00 0.00 C ATOM 328 O PRO A 23 -0.924 7.948 2.035 1.00 0.00 O ATOM 329 CB PRO A 23 -0.141 6.016 4.938 1.00 0.00 C ATOM 330 CG PRO A 23 1.365 6.229 4.933 1.00 0.00 C ATOM 331 CD PRO A 23 1.853 6.072 3.502 1.00 0.00 C ATOM 0 HA PRO A 23 -1.343 5.341 3.273 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.642 6.780 5.533 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.398 5.051 5.376 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.612 7.220 5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.855 5.506 5.585 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.399 6.955 3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.530 5.223 3.406 1.00 0.00 H new ATOM 339 N ASP A 24 -2.089 7.937 4.010 1.00 0.00 N ATOM 340 CA ASP A 24 -2.773 9.199 3.783 1.00 0.00 C ATOM 341 C ASP A 24 -2.680 10.059 5.045 1.00 0.00 C ATOM 342 O ASP A 24 -3.126 11.215 5.005 1.00 0.00 O ATOM 343 CB ASP A 24 -4.254 8.975 3.471 1.00 0.00 C ATOM 344 CG ASP A 24 -4.556 8.560 2.031 1.00 0.00 C ATOM 345 OD1 ASP A 24 -3.812 7.777 1.422 1.00 0.00 O ATOM 346 OD2 ASP A 24 -5.622 9.083 1.525 1.00 0.00 O ATOM 0 H ASP A 24 -2.323 7.488 4.895 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.297 9.693 2.936 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.639 8.208 4.143 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.799 9.893 3.690 1.00 0.00 H new ATOM 351 N ASP A 25 -2.114 9.487 6.122 1.00 0.00 N ATOM 352 CA ASP A 25 -1.966 10.197 7.382 1.00 0.00 C ATOM 353 C ASP A 25 -1.456 11.613 7.108 1.00 0.00 C ATOM 354 O ASP A 25 -2.282 12.533 7.029 1.00 0.00 O ATOM 355 CB ASP A 25 -0.954 9.499 8.292 1.00 0.00 C ATOM 356 CG ASP A 25 -1.308 8.058 8.668 1.00 0.00 C ATOM 357 OD1 ASP A 25 -2.352 7.529 8.256 1.00 0.00 O ATOM 358 OD2 ASP A 25 -0.449 7.465 9.425 1.00 0.00 O ATOM 0 H ASP A 25 -1.754 8.533 6.134 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.939 10.218 7.873 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.018 9.501 7.798 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.848 10.082 9.207 1.00 0.00 H new ATOM 363 N GLY A 26 -0.125 11.758 6.968 1.00 0.00 N ATOM 364 CA GLY A 26 0.486 13.050 6.706 1.00 0.00 C ATOM 365 C GLY A 26 1.845 12.839 6.034 1.00 0.00 C ATOM 366 O GLY A 26 2.843 13.371 6.541 1.00 0.00 O ATOM 0 H GLY A 26 0.539 10.987 7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.161 13.648 6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.610 13.602 7.637 1.00 0.00 H new ATOM 370 N SER A 27 1.854 12.080 4.923 1.00 0.00 N ATOM 371 CA SER A 27 3.079 11.804 4.191 1.00 0.00 C ATOM 372 C SER A 27 3.892 10.749 4.944 1.00 0.00 C ATOM 373 O SER A 27 4.147 10.945 6.141 1.00 0.00 O ATOM 374 CB SER A 27 3.911 13.073 3.992 1.00 0.00 C ATOM 375 OG SER A 27 3.103 14.245 3.986 1.00 0.00 O ATOM 0 H SER A 27 1.020 11.652 4.521 1.00 0.00 H new ATOM 0 HA SER A 27 2.814 11.428 3.203 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.653 13.148 4.787 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.457 13.005 3.051 1.00 0.00 H new ATOM 0 HG SER A 27 3.671 15.033 3.858 1.00 0.00 H new ATOM 381 N LYS A 28 4.276 9.669 4.240 1.00 0.00 N ATOM 382 CA LYS A 28 5.051 8.596 4.837 1.00 0.00 C ATOM 383 C LYS A 28 5.113 7.415 3.867 1.00 0.00 C ATOM 384 O LYS A 28 4.668 7.570 2.720 1.00 0.00 O ATOM 385 CB LYS A 28 4.490 8.232 6.213 1.00 0.00 C ATOM 386 CG LYS A 28 5.446 8.666 7.328 1.00 0.00 C ATOM 387 CD LYS A 28 4.728 8.710 8.678 1.00 0.00 C ATOM 388 CE LYS A 28 4.058 10.066 8.900 1.00 0.00 C ATOM 389 NZ LYS A 28 5.039 11.155 8.760 1.00 0.00 N ATOM 0 H LYS A 28 4.055 9.527 3.254 1.00 0.00 H new ATOM 0 HA LYS A 28 6.077 8.920 5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.521 8.711 6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.325 7.156 6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.287 7.974 7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.857 9.649 7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.979 7.919 8.721 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.441 8.518 9.479 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.250 10.201 8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.609 10.098 9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.735 11.971 9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.969 10.829 9.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.107 11.435 7.761 1.00 0.00 H new ATOM 403 N ASP A 29 5.655 6.277 4.336 1.00 0.00 N ATOM 404 CA ASP A 29 5.772 5.084 3.515 1.00 0.00 C ATOM 405 C ASP A 29 5.785 3.849 4.418 1.00 0.00 C ATOM 406 O ASP A 29 6.748 3.684 5.180 1.00 0.00 O ATOM 407 CB ASP A 29 7.074 5.093 2.711 1.00 0.00 C ATOM 408 CG ASP A 29 8.346 5.286 3.541 1.00 0.00 C ATOM 409 OD1 ASP A 29 8.652 6.402 3.990 1.00 0.00 O ATOM 410 OD2 ASP A 29 9.044 4.218 3.724 1.00 0.00 O ATOM 0 H ASP A 29 6.017 6.170 5.284 1.00 0.00 H new ATOM 0 HA ASP A 29 4.925 5.062 2.830 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.153 4.152 2.166 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.019 5.888 1.968 1.00 0.00 H new ATOM 415 N VAL A 30 4.730 3.019 4.317 1.00 0.00 N ATOM 416 CA VAL A 30 4.621 1.811 5.118 1.00 0.00 C ATOM 417 C VAL A 30 5.185 0.628 4.329 1.00 0.00 C ATOM 418 O VAL A 30 4.778 0.440 3.174 1.00 0.00 O ATOM 419 CB VAL A 30 3.168 1.602 5.552 1.00 0.00 C ATOM 420 CG1 VAL A 30 2.557 2.906 6.069 1.00 0.00 C ATOM 421 CG2 VAL A 30 2.333 1.019 4.409 1.00 0.00 C ATOM 0 H VAL A 30 3.946 3.174 3.684 1.00 0.00 H new ATOM 0 HA VAL A 30 5.210 1.903 6.031 1.00 0.00 H new ATOM 0 HB VAL A 30 3.163 0.883 6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.525 2.730 6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.130 3.262 6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.581 3.657 5.280 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.305 0.880 4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.349 1.703 3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.749 0.058 4.108 1.00 0.00 H new ATOM 431 N PHE A 31 6.098 -0.133 4.959 1.00 0.00 N ATOM 432 CA PHE A 31 6.711 -1.286 4.320 1.00 0.00 C ATOM 433 C PHE A 31 5.737 -2.466 4.365 1.00 0.00 C ATOM 434 O PHE A 31 4.997 -2.581 5.352 1.00 0.00 O ATOM 435 CB PHE A 31 8.024 -1.632 5.050 1.00 0.00 C ATOM 436 CG PHE A 31 9.261 -1.638 4.161 1.00 0.00 C ATOM 437 CD1 PHE A 31 9.164 -2.057 2.813 1.00 0.00 C ATOM 438 CD2 PHE A 31 10.511 -1.221 4.675 1.00 0.00 C ATOM 439 CE1 PHE A 31 10.307 -2.058 1.988 1.00 0.00 C ATOM 440 CE2 PHE A 31 11.654 -1.224 3.847 1.00 0.00 C ATOM 441 CZ PHE A 31 11.552 -1.642 2.504 1.00 0.00 C ATOM 0 H PHE A 31 6.421 0.039 5.911 1.00 0.00 H new ATOM 0 HA PHE A 31 6.939 -1.062 3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.176 -0.915 5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.920 -2.614 5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.212 -2.377 2.415 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.591 -0.900 5.703 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.229 -2.378 0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.607 -0.906 4.242 1.00 0.00 H new ATOM 0 HZ PHE A 31 12.427 -1.644 1.871 1.00 0.00 H new ATOM 451 N VAL A 32 5.759 -3.304 3.313 1.00 0.00 N ATOM 452 CA VAL A 32 4.883 -4.462 3.233 1.00 0.00 C ATOM 453 C VAL A 32 5.548 -5.538 2.372 1.00 0.00 C ATOM 454 O VAL A 32 6.486 -5.205 1.633 1.00 0.00 O ATOM 455 CB VAL A 32 3.507 -4.043 2.713 1.00 0.00 C ATOM 456 CG1 VAL A 32 3.357 -2.522 2.721 1.00 0.00 C ATOM 457 CG2 VAL A 32 3.255 -4.611 1.315 1.00 0.00 C ATOM 0 H VAL A 32 6.379 -3.191 2.511 1.00 0.00 H new ATOM 0 HA VAL A 32 4.723 -4.890 4.222 1.00 0.00 H new ATOM 0 HB VAL A 32 2.755 -4.456 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.370 -2.252 2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.473 -2.150 3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.121 -2.078 2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.270 -4.299 0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.016 -4.240 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.299 -5.700 1.351 1.00 0.00 H new ATOM 467 N HIS A 33 5.055 -6.785 2.481 1.00 0.00 N ATOM 468 CA HIS A 33 5.597 -7.896 1.717 1.00 0.00 C ATOM 469 C HIS A 33 4.522 -8.428 0.768 1.00 0.00 C ATOM 470 O HIS A 33 3.362 -8.539 1.192 1.00 0.00 O ATOM 471 CB HIS A 33 6.157 -8.976 2.645 1.00 0.00 C ATOM 472 CG HIS A 33 7.644 -9.198 2.502 1.00 0.00 C ATOM 473 ND1 HIS A 33 8.181 -10.151 1.656 1.00 0.00 N ATOM 474 CD2 HIS A 33 8.699 -8.580 3.107 1.00 0.00 C ATOM 475 CE1 HIS A 33 9.502 -10.101 1.755 1.00 0.00 C ATOM 476 NE2 HIS A 33 9.820 -9.126 2.654 1.00 0.00 N ATOM 0 H HIS A 33 4.281 -7.037 3.095 1.00 0.00 H new ATOM 0 HA HIS A 33 6.437 -7.554 1.112 1.00 0.00 H new ATOM 0 HB2 HIS A 33 5.938 -8.703 3.677 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.639 -9.915 2.447 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.633 -7.782 3.832 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.203 -10.723 1.218 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.765 -8.860 2.932 1.00 0.00 H new ATOM 484 N PHE A 34 4.920 -8.743 -0.477 1.00 0.00 N ATOM 485 CA PHE A 34 3.998 -9.259 -1.474 1.00 0.00 C ATOM 486 C PHE A 34 3.421 -10.590 -0.989 1.00 0.00 C ATOM 487 O PHE A 34 3.491 -10.857 0.221 1.00 0.00 O ATOM 488 CB PHE A 34 4.744 -9.441 -2.810 1.00 0.00 C ATOM 489 CG PHE A 34 5.674 -10.645 -2.859 1.00 0.00 C ATOM 490 CD1 PHE A 34 6.836 -10.686 -2.052 1.00 0.00 C ATOM 491 CD2 PHE A 34 5.386 -11.730 -3.720 1.00 0.00 C ATOM 492 CE1 PHE A 34 7.697 -11.802 -2.103 1.00 0.00 C ATOM 493 CE2 PHE A 34 6.247 -12.845 -3.771 1.00 0.00 C ATOM 494 CZ PHE A 34 7.403 -12.882 -2.963 1.00 0.00 C ATOM 0 H PHE A 34 5.880 -8.645 -0.807 1.00 0.00 H new ATOM 0 HA PHE A 34 3.177 -8.558 -1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.010 -9.533 -3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.325 -8.541 -3.012 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.064 -9.860 -1.395 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.503 -11.704 -4.341 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.581 -11.830 -1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.022 -13.671 -4.429 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.063 -13.736 -3.002 1.00 0.00 H new ATOM 504 N SER A 35 2.875 -11.387 -1.925 1.00 0.00 N ATOM 505 CA SER A 35 2.293 -12.677 -1.593 1.00 0.00 C ATOM 506 C SER A 35 1.317 -12.507 -0.427 1.00 0.00 C ATOM 507 O SER A 35 0.976 -13.516 0.206 1.00 0.00 O ATOM 508 CB SER A 35 3.371 -13.702 -1.239 1.00 0.00 C ATOM 509 OG SER A 35 2.949 -15.037 -1.512 1.00 0.00 O ATOM 0 H SER A 35 2.830 -11.150 -2.916 1.00 0.00 H new ATOM 0 HA SER A 35 1.759 -13.052 -2.466 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.277 -13.485 -1.805 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.625 -13.611 -0.183 1.00 0.00 H new ATOM 0 HG SER A 35 2.086 -15.202 -1.079 1.00 0.00 H new ATOM 515 N ALA A 36 0.894 -11.255 -0.172 1.00 0.00 N ATOM 516 CA ALA A 36 -0.032 -10.961 0.908 1.00 0.00 C ATOM 517 C ALA A 36 -1.215 -10.164 0.354 1.00 0.00 C ATOM 518 O ALA A 36 -2.005 -9.647 1.158 1.00 0.00 O ATOM 519 CB ALA A 36 0.649 -10.060 1.939 1.00 0.00 C ATOM 0 H ALA A 36 1.187 -10.438 -0.707 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.353 -11.902 1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.048 -9.841 2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.526 -10.567 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.956 -9.129 1.462 1.00 0.00 H new ATOM 525 N ILE A 37 -1.314 -10.082 -0.984 1.00 0.00 N ATOM 526 CA ILE A 37 -2.390 -9.355 -1.635 1.00 0.00 C ATOM 527 C ILE A 37 -3.663 -10.203 -1.605 1.00 0.00 C ATOM 528 O ILE A 37 -3.615 -11.321 -1.072 1.00 0.00 O ATOM 529 CB ILE A 37 -1.972 -8.923 -3.041 1.00 0.00 C ATOM 530 CG1 ILE A 37 -3.116 -8.201 -3.756 1.00 0.00 C ATOM 531 CG2 ILE A 37 -1.451 -10.114 -3.849 1.00 0.00 C ATOM 532 CD1 ILE A 37 -2.586 -7.323 -4.892 1.00 0.00 C ATOM 0 H ILE A 37 -0.653 -10.516 -1.628 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.607 -8.433 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.151 -8.212 -2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.819 -8.932 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.665 -7.586 -3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.161 -9.779 -4.845 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.586 -10.545 -3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.235 -10.867 -3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.420 -6.821 -5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.902 -6.577 -4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.059 -7.944 -5.616 1.00 0.00 H new ATOM 544 N GLN A 38 -4.758 -9.664 -2.170 1.00 0.00 N ATOM 545 CA GLN A 38 -6.030 -10.366 -2.208 1.00 0.00 C ATOM 546 C GLN A 38 -6.130 -11.162 -3.511 1.00 0.00 C ATOM 547 O GLN A 38 -7.247 -11.316 -4.025 1.00 0.00 O ATOM 548 CB GLN A 38 -7.209 -9.402 -2.063 1.00 0.00 C ATOM 549 CG GLN A 38 -6.936 -8.361 -0.975 1.00 0.00 C ATOM 550 CD GLN A 38 -6.064 -8.947 0.136 1.00 0.00 C ATOM 551 OE1 GLN A 38 -4.890 -8.337 0.281 1.00 0.00 O flip ATOM 552 NE2 GLN A 38 -6.429 -9.890 0.818 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.776 -8.741 -2.605 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.075 -11.052 -1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.392 -8.901 -3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.112 -9.961 -1.818 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.441 -7.494 -1.412 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.880 -8.011 -0.556 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.343 -10.313 0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.821 -10.255 1.551 1.00 0.00 H new ATOM 561 N ASN A 39 -4.978 -11.645 -4.011 1.00 0.00 N ATOM 562 CA ASN A 39 -4.937 -12.417 -5.242 1.00 0.00 C ATOM 563 C ASN A 39 -5.506 -11.577 -6.385 1.00 0.00 C ATOM 564 O ASN A 39 -6.043 -10.493 -6.110 1.00 0.00 O ATOM 565 CB ASN A 39 -5.781 -13.688 -5.123 1.00 0.00 C ATOM 566 CG ASN A 39 -5.066 -14.882 -5.759 1.00 0.00 C ATOM 567 OD1 ASN A 39 -5.057 -15.062 -6.965 1.00 0.00 O ATOM 568 ND2 ASN A 39 -4.470 -15.685 -4.883 1.00 0.00 N ATOM 0 H ASN A 39 -4.068 -11.508 -3.572 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.899 -12.690 -5.435 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.983 -13.898 -4.073 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.745 -13.536 -5.609 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.966 -16.510 -5.208 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.516 -15.476 -3.886 1.00 0.00 H new ATOM 575 N ASP A 40 -5.379 -12.082 -7.625 1.00 0.00 N ATOM 576 CA ASP A 40 -5.877 -11.381 -8.797 1.00 0.00 C ATOM 577 C ASP A 40 -5.574 -12.209 -10.048 1.00 0.00 C ATOM 578 O ASP A 40 -5.250 -11.615 -11.085 1.00 0.00 O ATOM 579 CB ASP A 40 -5.198 -10.020 -8.955 1.00 0.00 C ATOM 580 CG ASP A 40 -5.744 -9.154 -10.092 1.00 0.00 C ATOM 581 OD1 ASP A 40 -6.880 -9.343 -10.550 1.00 0.00 O ATOM 582 OD2 ASP A 40 -4.939 -8.238 -10.515 1.00 0.00 O ATOM 0 H ASP A 40 -4.933 -12.976 -7.830 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.950 -11.236 -8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.298 -9.470 -8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.132 -10.179 -9.119 1.00 0.00 H new ATOM 587 N GLY A 41 -5.685 -13.545 -9.927 1.00 0.00 N ATOM 588 CA GLY A 41 -5.424 -14.442 -11.039 1.00 0.00 C ATOM 589 C GLY A 41 -3.916 -14.512 -11.291 1.00 0.00 C ATOM 590 O GLY A 41 -3.381 -15.628 -11.356 1.00 0.00 O ATOM 0 H GLY A 41 -5.955 -14.016 -9.063 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.814 -15.436 -10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.938 -14.090 -11.933 1.00 0.00 H new ATOM 594 N TYR A 42 -3.275 -13.338 -11.427 1.00 0.00 N ATOM 595 CA TYR A 42 -1.841 -13.335 -11.672 1.00 0.00 C ATOM 596 C TYR A 42 -1.149 -12.484 -10.608 1.00 0.00 C ATOM 597 O TYR A 42 -1.458 -11.286 -10.527 1.00 0.00 O ATOM 598 CB TYR A 42 -1.551 -12.824 -13.095 1.00 0.00 C ATOM 599 CG TYR A 42 -1.510 -13.910 -14.160 1.00 0.00 C ATOM 600 CD1 TYR A 42 -2.702 -14.545 -14.579 1.00 0.00 C ATOM 601 CD2 TYR A 42 -0.277 -14.295 -14.732 1.00 0.00 C ATOM 602 CE1 TYR A 42 -2.661 -15.554 -15.566 1.00 0.00 C ATOM 603 CE2 TYR A 42 -0.234 -15.304 -15.718 1.00 0.00 C ATOM 604 CZ TYR A 42 -1.426 -15.933 -16.137 1.00 0.00 C ATOM 605 OH TYR A 42 -1.381 -16.909 -17.092 1.00 0.00 O ATOM 0 H TYR A 42 -3.714 -12.419 -11.373 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.447 -14.349 -11.604 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.313 -12.094 -13.368 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.595 -12.300 -13.091 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.647 -14.257 -14.143 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.637 -13.815 -14.413 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.574 -16.036 -15.884 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.711 -15.595 -16.152 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.453 -17.045 -17.378 1.00 0.00 H new ATOM 615 N LYS A 43 -0.249 -13.103 -9.821 1.00 0.00 N ATOM 616 CA LYS A 43 0.466 -12.401 -8.768 1.00 0.00 C ATOM 617 C LYS A 43 1.231 -11.224 -9.376 1.00 0.00 C ATOM 618 O LYS A 43 2.362 -11.432 -9.843 1.00 0.00 O ATOM 619 CB LYS A 43 1.352 -13.371 -7.984 1.00 0.00 C ATOM 620 CG LYS A 43 0.593 -13.968 -6.798 1.00 0.00 C ATOM 621 CD LYS A 43 -0.724 -14.602 -7.251 1.00 0.00 C ATOM 622 CE LYS A 43 -1.067 -15.824 -6.398 1.00 0.00 C ATOM 623 NZ LYS A 43 -0.259 -16.983 -6.811 1.00 0.00 N ATOM 0 H LYS A 43 -0.008 -14.091 -9.904 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.234 -11.987 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.693 -14.170 -8.642 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.241 -12.850 -7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.212 -14.719 -6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.392 -13.190 -6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.527 -13.869 -7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.649 -14.895 -8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.886 -15.603 -5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.127 -16.058 -6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.585 -17.831 -6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.361 -17.130 -7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.741 -16.808 -6.584 1.00 0.00 H new ATOM 637 N SER A 44 0.613 -10.030 -9.358 1.00 0.00 N ATOM 638 CA SER A 44 1.232 -8.832 -9.903 1.00 0.00 C ATOM 639 C SER A 44 0.448 -7.603 -9.441 1.00 0.00 C ATOM 640 O SER A 44 -0.711 -7.762 -9.033 1.00 0.00 O ATOM 641 CB SER A 44 1.293 -8.880 -11.432 1.00 0.00 C ATOM 642 OG SER A 44 2.437 -9.591 -11.897 1.00 0.00 O ATOM 0 H SER A 44 -0.318 -9.880 -8.968 1.00 0.00 H new ATOM 0 HA SER A 44 2.257 -8.773 -9.536 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.390 -9.354 -11.816 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.312 -7.864 -11.826 1.00 0.00 H new ATOM 0 HG SER A 44 2.625 -10.340 -11.293 1.00 0.00 H new ATOM 648 N LEU A 45 1.086 -6.421 -9.513 1.00 0.00 N ATOM 649 CA LEU A 45 0.452 -5.179 -9.107 1.00 0.00 C ATOM 650 C LEU A 45 0.805 -4.078 -10.109 1.00 0.00 C ATOM 651 O LEU A 45 1.767 -4.259 -10.870 1.00 0.00 O ATOM 652 CB LEU A 45 0.821 -4.837 -7.662 1.00 0.00 C ATOM 653 CG LEU A 45 -0.337 -4.427 -6.751 1.00 0.00 C ATOM 654 CD1 LEU A 45 -1.351 -5.564 -6.609 1.00 0.00 C ATOM 655 CD2 LEU A 45 0.176 -3.945 -5.393 1.00 0.00 C ATOM 0 H LEU A 45 2.042 -6.312 -9.851 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.633 -5.284 -9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.315 -5.702 -7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.550 -4.026 -7.677 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.855 -3.588 -7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.164 -5.247 -5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.752 -5.819 -7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.861 -6.437 -6.179 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.668 -3.660 -4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.733 -4.747 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.829 -3.084 -5.535 1.00 0.00 H new ATOM 667 N ASP A 46 0.034 -2.975 -10.090 1.00 0.00 N ATOM 668 CA ASP A 46 0.265 -1.859 -10.989 1.00 0.00 C ATOM 669 C ASP A 46 0.863 -0.689 -10.203 1.00 0.00 C ATOM 670 O ASP A 46 0.110 -0.020 -9.480 1.00 0.00 O ATOM 671 CB ASP A 46 -1.043 -1.384 -11.624 1.00 0.00 C ATOM 672 CG ASP A 46 -0.895 -0.733 -13.001 1.00 0.00 C ATOM 673 OD1 ASP A 46 0.142 0.022 -13.140 1.00 0.00 O ATOM 674 OD2 ASP A 46 -1.728 -0.938 -13.897 1.00 0.00 O ATOM 0 H ASP A 46 -0.754 -2.845 -9.455 1.00 0.00 H new ATOM 0 HA ASP A 46 0.946 -2.193 -11.772 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.717 -2.236 -11.712 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.518 -0.670 -10.951 1.00 0.00 H new ATOM 679 N GLU A 47 2.181 -0.472 -10.356 1.00 0.00 N ATOM 680 CA GLU A 47 2.867 0.607 -9.665 1.00 0.00 C ATOM 681 C GLU A 47 2.140 1.925 -9.934 1.00 0.00 C ATOM 682 O GLU A 47 2.295 2.470 -11.037 1.00 0.00 O ATOM 683 CB GLU A 47 4.337 0.695 -10.084 1.00 0.00 C ATOM 684 CG GLU A 47 4.915 2.075 -9.763 1.00 0.00 C ATOM 685 CD GLU A 47 4.948 2.959 -11.010 1.00 0.00 C ATOM 686 OE1 GLU A 47 5.224 2.465 -12.114 1.00 0.00 O ATOM 687 OE2 GLU A 47 4.672 4.202 -10.806 1.00 0.00 O ATOM 0 H GLU A 47 2.783 -1.036 -10.955 1.00 0.00 H new ATOM 0 HA GLU A 47 2.852 0.402 -8.595 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.913 -0.074 -9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.427 0.498 -11.152 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.315 2.554 -8.989 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.923 1.967 -9.363 1.00 0.00 H new ATOM 694 N GLY A 48 1.372 2.403 -8.940 1.00 0.00 N ATOM 695 CA GLY A 48 0.629 3.645 -9.068 1.00 0.00 C ATOM 696 C GLY A 48 -0.868 3.348 -8.996 1.00 0.00 C ATOM 697 O GLY A 48 -1.604 3.804 -9.884 1.00 0.00 O ATOM 0 H GLY A 48 1.257 1.938 -8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.913 4.335 -8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.870 4.130 -10.014 1.00 0.00 H new ATOM 701 N GLN A 49 -1.286 2.603 -7.956 1.00 0.00 N ATOM 702 CA GLN A 49 -2.684 2.251 -7.773 1.00 0.00 C ATOM 703 C GLN A 49 -3.056 2.413 -6.297 1.00 0.00 C ATOM 704 O GLN A 49 -2.160 2.308 -5.447 1.00 0.00 O ATOM 705 CB GLN A 49 -2.973 0.831 -8.259 1.00 0.00 C ATOM 706 CG GLN A 49 -2.443 -0.208 -7.269 1.00 0.00 C ATOM 707 CD GLN A 49 -3.582 -1.053 -6.697 1.00 0.00 C ATOM 708 OE1 GLN A 49 -4.701 -0.599 -6.524 1.00 0.00 O ATOM 709 NE2 GLN A 49 -3.236 -2.306 -6.414 1.00 0.00 N ATOM 0 H GLN A 49 -0.664 2.238 -7.234 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.297 2.923 -8.374 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.047 0.699 -8.389 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.512 0.676 -9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.721 -0.855 -7.767 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.915 0.294 -6.458 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.281 -2.622 -6.583 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.926 -2.951 -6.028 1.00 0.00 H new ATOM 718 N LYS A 50 -4.350 2.660 -6.026 1.00 0.00 N ATOM 719 CA LYS A 50 -4.833 2.832 -4.666 1.00 0.00 C ATOM 720 C LYS A 50 -5.110 1.461 -4.049 1.00 0.00 C ATOM 721 O LYS A 50 -5.848 0.676 -4.663 1.00 0.00 O ATOM 722 CB LYS A 50 -6.039 3.773 -4.642 1.00 0.00 C ATOM 723 CG LYS A 50 -6.253 4.356 -3.244 1.00 0.00 C ATOM 724 CD LYS A 50 -6.299 5.884 -3.287 1.00 0.00 C ATOM 725 CE LYS A 50 -7.703 6.381 -3.640 1.00 0.00 C ATOM 726 NZ LYS A 50 -8.075 5.951 -4.998 1.00 0.00 N ATOM 0 H LYS A 50 -5.073 2.743 -6.741 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.072 3.310 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.888 4.581 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.932 3.233 -4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.183 3.973 -2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.449 4.032 -2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.999 6.288 -2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.583 6.252 -4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.424 5.995 -2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.738 7.468 -3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.880 6.518 -5.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.266 6.085 -5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.342 4.946 -4.983 1.00 0.00 H new ATOM 740 N VAL A 51 -4.522 1.202 -2.868 1.00 0.00 N ATOM 741 CA VAL A 51 -4.705 -0.063 -2.177 1.00 0.00 C ATOM 742 C VAL A 51 -4.945 0.203 -0.689 1.00 0.00 C ATOM 743 O VAL A 51 -5.280 1.344 -0.340 1.00 0.00 O ATOM 744 CB VAL A 51 -3.505 -0.977 -2.434 1.00 0.00 C ATOM 745 CG1 VAL A 51 -3.319 -1.227 -3.932 1.00 0.00 C ATOM 746 CG2 VAL A 51 -2.231 -0.399 -1.813 1.00 0.00 C ATOM 0 H VAL A 51 -3.916 1.862 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.583 -0.584 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.705 -1.935 -1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.460 -1.879 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.213 -1.702 -4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.151 -0.278 -4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.394 -1.068 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.025 0.578 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.366 -0.295 -0.736 1.00 0.00 H new ATOM 756 N SER A 52 -4.772 -0.838 0.145 1.00 0.00 N ATOM 757 CA SER A 52 -4.969 -0.718 1.578 1.00 0.00 C ATOM 758 C SER A 52 -3.916 -1.555 2.306 1.00 0.00 C ATOM 759 O SER A 52 -3.044 -2.122 1.631 1.00 0.00 O ATOM 760 CB SER A 52 -6.375 -1.159 1.990 1.00 0.00 C ATOM 761 OG SER A 52 -7.338 -0.892 0.973 1.00 0.00 O ATOM 0 H SER A 52 -4.495 -1.770 -0.163 1.00 0.00 H new ATOM 0 HA SER A 52 -4.861 0.331 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.370 -2.226 2.213 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.663 -0.643 2.906 1.00 0.00 H new ATOM 0 HG SER A 52 -8.222 -1.189 1.274 1.00 0.00 H new ATOM 767 N PHE A 53 -4.014 -1.615 3.647 1.00 0.00 N ATOM 768 CA PHE A 53 -3.076 -2.376 4.454 1.00 0.00 C ATOM 769 C PHE A 53 -3.589 -2.446 5.894 1.00 0.00 C ATOM 770 O PHE A 53 -4.475 -1.652 6.243 1.00 0.00 O ATOM 771 CB PHE A 53 -1.692 -1.700 4.397 1.00 0.00 C ATOM 772 CG PHE A 53 -1.680 -0.242 4.835 1.00 0.00 C ATOM 773 CD1 PHE A 53 -1.486 0.094 6.196 1.00 0.00 C ATOM 774 CD2 PHE A 53 -1.870 0.785 3.882 1.00 0.00 C ATOM 775 CE1 PHE A 53 -1.480 1.447 6.597 1.00 0.00 C ATOM 776 CE2 PHE A 53 -1.862 2.138 4.285 1.00 0.00 C ATOM 777 CZ PHE A 53 -1.667 2.469 5.643 1.00 0.00 C ATOM 0 H PHE A 53 -4.739 -1.140 4.184 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.984 -3.391 4.068 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.002 -2.261 5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.314 -1.762 3.377 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.342 -0.686 6.929 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.022 0.534 2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.332 1.700 7.636 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.005 2.920 3.554 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.661 3.504 5.952 1.00 0.00 H new ATOM 787 N THR A 54 -3.029 -3.377 6.687 1.00 0.00 N ATOM 788 CA THR A 54 -3.428 -3.545 8.075 1.00 0.00 C ATOM 789 C THR A 54 -2.256 -3.169 8.985 1.00 0.00 C ATOM 790 O THR A 54 -1.808 -4.032 9.755 1.00 0.00 O ATOM 791 CB THR A 54 -3.915 -4.980 8.273 1.00 0.00 C ATOM 792 OG1 THR A 54 -4.086 -5.098 9.683 1.00 0.00 O ATOM 793 CG2 THR A 54 -2.838 -6.017 7.941 1.00 0.00 C ATOM 0 H THR A 54 -2.299 -4.020 6.380 1.00 0.00 H new ATOM 0 HA THR A 54 -4.253 -2.884 8.339 1.00 0.00 H new ATOM 0 HB THR A 54 -4.791 -5.154 7.648 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.210 -5.082 10.121 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.237 -7.019 8.099 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.535 -5.907 6.900 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.974 -5.864 8.588 1.00 0.00 H new ATOM 801 N ILE A 55 -1.794 -1.911 8.884 1.00 0.00 N ATOM 802 CA ILE A 55 -0.688 -1.429 9.692 1.00 0.00 C ATOM 803 C ILE A 55 -0.646 -2.208 11.008 1.00 0.00 C ATOM 804 O ILE A 55 -1.700 -2.347 11.644 1.00 0.00 O ATOM 805 CB ILE A 55 -0.778 0.086 9.878 1.00 0.00 C ATOM 806 CG1 ILE A 55 0.195 0.566 10.957 1.00 0.00 C ATOM 807 CG2 ILE A 55 -2.218 0.517 10.170 1.00 0.00 C ATOM 808 CD1 ILE A 55 1.037 1.740 10.453 1.00 0.00 C ATOM 0 H ILE A 55 -2.179 -1.216 8.245 1.00 0.00 H new ATOM 0 HA ILE A 55 0.260 -1.608 9.184 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.482 0.563 8.944 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.361 0.867 11.845 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.849 -0.254 11.253 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.255 1.599 10.298 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.860 0.228 9.338 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.565 0.031 11.082 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.720 2.062 11.239 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.610 1.428 9.580 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.382 2.567 10.181 1.00 0.00 H new ATOM 820 N GLU A 56 0.552 -2.694 11.383 1.00 0.00 N ATOM 821 CA GLU A 56 0.725 -3.452 12.611 1.00 0.00 C ATOM 822 C GLU A 56 1.834 -2.811 13.448 1.00 0.00 C ATOM 823 O GLU A 56 2.971 -2.733 12.959 1.00 0.00 O ATOM 824 CB GLU A 56 1.033 -4.923 12.325 1.00 0.00 C ATOM 825 CG GLU A 56 -0.256 -5.732 12.166 1.00 0.00 C ATOM 826 CD GLU A 56 -1.129 -5.625 13.416 1.00 0.00 C ATOM 827 OE1 GLU A 56 -0.911 -6.360 14.390 1.00 0.00 O ATOM 828 OE2 GLU A 56 -2.063 -4.737 13.354 1.00 0.00 O ATOM 0 H GLU A 56 1.409 -2.569 10.844 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.209 -3.428 13.172 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.631 -5.003 11.417 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.629 -5.338 13.138 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.810 -5.372 11.299 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.012 -6.777 11.977 1.00 0.00 H new ATOM 835 N SER A 57 1.488 -2.373 14.672 1.00 0.00 N ATOM 836 CA SER A 57 2.449 -1.748 15.564 1.00 0.00 C ATOM 837 C SER A 57 3.025 -2.804 16.509 1.00 0.00 C ATOM 838 O SER A 57 2.238 -3.516 17.149 1.00 0.00 O ATOM 839 CB SER A 57 1.811 -0.611 16.366 1.00 0.00 C ATOM 840 OG SER A 57 1.216 -1.078 17.574 1.00 0.00 O ATOM 0 H SER A 57 0.546 -2.446 15.055 1.00 0.00 H new ATOM 0 HA SER A 57 3.249 -1.317 14.962 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.569 0.137 16.601 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.054 -0.118 15.756 1.00 0.00 H new ATOM 0 HG SER A 57 1.092 -2.049 17.524 1.00 0.00 H new ATOM 846 N GLY A 58 4.366 -2.883 16.578 1.00 0.00 N ATOM 847 CA GLY A 58 5.038 -3.844 17.437 1.00 0.00 C ATOM 848 C GLY A 58 6.533 -3.522 17.482 1.00 0.00 C ATOM 849 O GLY A 58 7.155 -3.762 18.527 1.00 0.00 O ATOM 0 H GLY A 58 4.997 -2.286 16.043 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.616 -3.809 18.441 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.883 -4.856 17.062 1.00 0.00 H new ATOM 853 N ALA A 59 7.070 -2.995 16.368 1.00 0.00 N ATOM 854 CA ALA A 59 8.478 -2.645 16.282 1.00 0.00 C ATOM 855 C ALA A 59 8.612 -1.144 16.016 1.00 0.00 C ATOM 856 O ALA A 59 7.708 -0.392 16.413 1.00 0.00 O ATOM 857 CB ALA A 59 9.113 -3.351 15.082 1.00 0.00 C ATOM 0 H ALA A 59 6.539 -2.806 15.518 1.00 0.00 H new ATOM 0 HA ALA A 59 8.962 -2.934 17.215 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.169 -3.086 15.021 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.016 -4.430 15.202 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.607 -3.040 14.168 1.00 0.00 H new ATOM 863 N LYS A 60 9.715 -0.744 15.362 1.00 0.00 N ATOM 864 CA LYS A 60 9.962 0.653 15.048 1.00 0.00 C ATOM 865 C LYS A 60 9.892 0.850 13.532 1.00 0.00 C ATOM 866 O LYS A 60 10.952 0.854 12.889 1.00 0.00 O ATOM 867 CB LYS A 60 11.280 1.118 15.669 1.00 0.00 C ATOM 868 CG LYS A 60 11.781 2.398 14.998 1.00 0.00 C ATOM 869 CD LYS A 60 12.420 3.339 16.021 1.00 0.00 C ATOM 870 CE LYS A 60 13.561 2.645 16.768 1.00 0.00 C ATOM 871 NZ LYS A 60 14.273 1.718 15.872 1.00 0.00 N ATOM 0 H LYS A 60 10.446 -1.380 15.044 1.00 0.00 H new ATOM 0 HA LYS A 60 9.190 1.285 15.488 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.142 1.293 16.736 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.030 0.333 15.569 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.508 2.147 14.225 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.951 2.902 14.503 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.799 4.228 15.516 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.666 3.674 16.733 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.255 3.390 17.157 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.165 2.100 17.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 15.251 1.596 16.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.790 0.797 15.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.282 2.106 14.907 1.00 0.00 H new ATOM 885 N GLY A 61 8.667 1.008 13.001 1.00 0.00 N ATOM 886 CA GLY A 61 8.465 1.204 11.575 1.00 0.00 C ATOM 887 C GLY A 61 7.060 0.731 11.194 1.00 0.00 C ATOM 888 O GLY A 61 6.684 -0.380 11.594 1.00 0.00 O ATOM 0 H GLY A 61 7.807 1.002 13.549 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.589 2.256 11.320 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.214 0.649 11.010 1.00 0.00 H new ATOM 892 N PRO A 62 6.327 1.569 10.439 1.00 0.00 N ATOM 893 CA PRO A 62 4.978 1.271 9.992 1.00 0.00 C ATOM 894 C PRO A 62 4.990 0.250 8.853 1.00 0.00 C ATOM 895 O PRO A 62 5.547 0.559 7.790 1.00 0.00 O ATOM 896 CB PRO A 62 4.395 2.614 9.579 1.00 0.00 C ATOM 897 CG PRO A 62 5.584 3.538 9.372 1.00 0.00 C ATOM 898 CD PRO A 62 6.805 2.871 9.987 1.00 0.00 C ATOM 0 HA PRO A 62 4.370 0.809 10.770 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.809 2.521 8.665 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.727 3.003 10.348 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.744 3.722 8.310 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.402 4.506 9.839 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.609 2.767 9.258 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.201 3.457 10.816 1.00 0.00 H new ATOM 906 N ALA A 63 4.385 -0.928 9.095 1.00 0.00 N ATOM 907 CA ALA A 63 4.328 -1.982 8.097 1.00 0.00 C ATOM 908 C ALA A 63 3.290 -3.023 8.519 1.00 0.00 C ATOM 909 O ALA A 63 3.023 -3.134 9.724 1.00 0.00 O ATOM 910 CB ALA A 63 5.671 -2.714 8.042 1.00 0.00 C ATOM 0 H ALA A 63 3.932 -1.162 9.978 1.00 0.00 H new ATOM 0 HA ALA A 63 4.081 -1.532 7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.624 -3.504 7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.459 -2.009 7.778 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.887 -3.151 9.017 1.00 0.00 H new ATOM 916 N ALA A 64 2.734 -3.753 7.536 1.00 0.00 N ATOM 917 CA ALA A 64 1.735 -4.774 7.805 1.00 0.00 C ATOM 918 C ALA A 64 1.399 -5.508 6.505 1.00 0.00 C ATOM 919 O ALA A 64 2.236 -5.502 5.591 1.00 0.00 O ATOM 920 CB ALA A 64 0.437 -4.114 8.273 1.00 0.00 C ATOM 0 H ALA A 64 2.968 -3.646 6.549 1.00 0.00 H new ATOM 0 HA ALA A 64 2.130 -5.453 8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.310 -4.882 8.474 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.626 -3.545 9.183 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.069 -3.444 7.496 1.00 0.00 H new ATOM 926 N GLY A 65 0.199 -6.115 6.450 1.00 0.00 N ATOM 927 CA GLY A 65 -0.240 -6.844 5.273 1.00 0.00 C ATOM 928 C GLY A 65 -1.622 -6.341 4.853 1.00 0.00 C ATOM 929 O GLY A 65 -1.868 -5.131 4.965 1.00 0.00 O ATOM 0 H GLY A 65 -0.476 -6.108 7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.472 -6.707 4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.278 -7.912 5.486 1.00 0.00 H new ATOM 933 N ASN A 66 -2.483 -7.264 4.386 1.00 0.00 N ATOM 934 CA ASN A 66 -3.825 -6.915 3.955 1.00 0.00 C ATOM 935 C ASN A 66 -3.746 -5.851 2.859 1.00 0.00 C ATOM 936 O ASN A 66 -4.357 -4.785 3.025 1.00 0.00 O ATOM 937 CB ASN A 66 -4.644 -6.341 5.113 1.00 0.00 C ATOM 938 CG ASN A 66 -5.163 -7.456 6.023 1.00 0.00 C ATOM 939 OD1 ASN A 66 -5.088 -7.385 7.239 1.00 0.00 O ATOM 940 ND2 ASN A 66 -5.692 -8.486 5.369 1.00 0.00 N ATOM 0 H ASN A 66 -2.261 -8.256 4.302 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.306 -7.821 3.587 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.029 -5.651 5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.483 -5.767 4.720 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.067 -9.281 5.887 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.723 -8.481 4.349 1.00 0.00 H new ATOM 947 N VAL A 67 -3.003 -6.153 1.778 1.00 0.00 N ATOM 948 CA VAL A 67 -2.846 -5.228 0.669 1.00 0.00 C ATOM 949 C VAL A 67 -3.929 -5.504 -0.377 1.00 0.00 C ATOM 950 O VAL A 67 -3.760 -6.444 -1.168 1.00 0.00 O ATOM 951 CB VAL A 67 -1.429 -5.328 0.102 1.00 0.00 C ATOM 952 CG1 VAL A 67 -0.646 -4.038 0.354 1.00 0.00 C ATOM 953 CG2 VAL A 67 -0.691 -6.539 0.678 1.00 0.00 C ATOM 0 H VAL A 67 -2.506 -7.036 1.661 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.975 -4.200 1.008 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.509 -5.467 -0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.358 -4.135 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.156 -3.203 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.581 -3.855 1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.314 -6.586 0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.627 -6.444 1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.233 -7.450 0.425 1.00 0.00 H new ATOM 963 N THR A 68 -5.003 -4.696 -0.360 1.00 0.00 N ATOM 964 CA THR A 68 -6.100 -4.851 -1.299 1.00 0.00 C ATOM 965 C THR A 68 -6.239 -3.574 -2.130 1.00 0.00 C ATOM 966 O THR A 68 -5.891 -2.499 -1.622 1.00 0.00 O ATOM 967 CB THR A 68 -7.366 -5.208 -0.517 1.00 0.00 C ATOM 968 OG1 THR A 68 -8.396 -5.201 -1.502 1.00 0.00 O ATOM 969 CG2 THR A 68 -7.778 -4.109 0.463 1.00 0.00 C ATOM 0 H THR A 68 -5.124 -3.929 0.301 1.00 0.00 H new ATOM 0 HA THR A 68 -5.914 -5.662 -2.003 1.00 0.00 H new ATOM 0 HB THR A 68 -7.206 -6.138 0.028 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.252 -5.424 -1.081 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.681 -4.413 0.992 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.976 -3.943 1.182 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.971 -3.187 -0.085 1.00 0.00 H new ATOM 977 N SER A 69 -6.739 -3.716 -3.371 1.00 0.00 N ATOM 978 CA SER A 69 -6.921 -2.583 -4.262 1.00 0.00 C ATOM 979 C SER A 69 -8.289 -1.949 -4.000 1.00 0.00 C ATOM 980 O SER A 69 -9.283 -2.690 -3.954 1.00 0.00 O ATOM 981 CB SER A 69 -6.801 -2.997 -5.730 1.00 0.00 C ATOM 982 OG SER A 69 -7.691 -4.059 -6.059 1.00 0.00 O ATOM 0 H SER A 69 -7.021 -4.612 -3.769 1.00 0.00 H new ATOM 0 HA SER A 69 -6.133 -1.857 -4.062 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.010 -2.138 -6.367 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.776 -3.305 -5.937 1.00 0.00 H new ATOM 0 HG SER A 69 -8.547 -3.922 -5.602 1.00 0.00 H new ATOM 988 N LEU A 70 -8.314 -0.614 -3.836 1.00 0.00 N ATOM 989 CA LEU A 70 -9.549 0.108 -3.582 1.00 0.00 C ATOM 990 C LEU A 70 -10.099 0.651 -4.903 1.00 0.00 C ATOM 991 O LEU A 70 -11.279 0.484 -5.202 1.00 0.00 O ATOM 992 CB LEU A 70 -9.331 1.185 -2.517 1.00 0.00 C ATOM 993 CG LEU A 70 -9.449 0.723 -1.064 1.00 0.00 C ATOM 994 CD1 LEU A 70 -8.924 1.793 -0.104 1.00 0.00 C ATOM 995 CD2 LEU A 70 -10.885 0.312 -0.732 1.00 0.00 C ATOM 0 H LEU A 70 -7.484 -0.022 -3.877 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.305 -0.563 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.340 1.616 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.053 1.984 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.824 -0.161 -0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.019 1.439 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.875 1.995 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.503 2.708 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.940 -0.012 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.551 1.162 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.189 -0.507 -1.384 1.00 0.00 H new TER 1007 LEU A 70