USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 966 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.645 K(o=-0.64,f=-2.2!) USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 0.0556 (180deg=0.0157) USER MOD Single : A 34 ASN : amide:sc= -0.0309 K(o=-0.031,f=-1.6!) USER MOD Single : A 37 THR OG1 : rot -50:sc= 0.517 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -111:sc= -0.821 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -0.278 F(o=-1.1,f=-0.28) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.116 K(o=-0.12,f=-2.1!) USER MOD Single : A 58 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 60 CYS SG : rot -2:sc= -0.0359 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 90:sc= 0 USER MOD Single : A 73 HIS :FLIP no HD1:sc= 0.0275 F(o=-0.72,f=0.027) USER MOD Single : A 77 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.48) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.175 X(o=-0.17,f=-0.0024) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 92 HIS : no HD1:sc=-0.00962 X(o=-0.0096,f=0) USER MOD Single : A 93 THR OG1 : rot 74:sc= 0.394 USER MOD Single : A 96 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.23) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -124:sc= -0.909 (180deg=-1.99) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 177:sc= 0.145 (180deg=0.117) USER MOD Single : A 123 SER OG : rot 6:sc= 1.09 USER MOD Single : A 126 SER OG : rot 6:sc= 0.701 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.259 21.928 -11.813 1.00 0.00 N ATOM 2 CA GLY A 1 -17.137 22.210 -10.937 1.00 0.00 C ATOM 3 C GLY A 1 -17.368 23.435 -10.075 1.00 0.00 C ATOM 4 O GLY A 1 -17.694 24.508 -10.583 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.052 21.082 -12.381 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.112 21.761 -11.242 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.418 22.739 -12.445 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.955 21.348 -10.296 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.239 22.356 -11.537 1.00 0.00 H new ATOM 8 N SER A 2 -17.201 23.276 -8.766 1.00 0.00 N ATOM 9 CA SER A 2 -17.399 24.377 -7.830 1.00 0.00 C ATOM 10 C SER A 2 -16.064 25.000 -7.434 1.00 0.00 C ATOM 11 O SER A 2 -15.317 24.438 -6.634 1.00 0.00 O ATOM 12 CB SER A 2 -18.136 23.887 -6.582 1.00 0.00 C ATOM 13 OG SER A 2 -18.405 24.959 -5.695 1.00 0.00 O ATOM 0 H SER A 2 -16.929 22.395 -8.329 1.00 0.00 H new ATOM 0 HA SER A 2 -18.003 25.138 -8.325 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.071 23.408 -6.873 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.536 23.132 -6.074 1.00 0.00 H new ATOM 0 HG SER A 2 -18.878 24.620 -4.906 1.00 0.00 H new ATOM 19 N SER A 3 -15.772 26.166 -8.002 1.00 0.00 N ATOM 20 CA SER A 3 -14.525 26.866 -7.712 1.00 0.00 C ATOM 21 C SER A 3 -14.124 26.679 -6.252 1.00 0.00 C ATOM 22 O SER A 3 -14.974 26.642 -5.363 1.00 0.00 O ATOM 23 CB SER A 3 -14.667 28.356 -8.028 1.00 0.00 C ATOM 24 OG SER A 3 -14.604 28.590 -9.424 1.00 0.00 O ATOM 0 H SER A 3 -16.381 26.646 -8.665 1.00 0.00 H new ATOM 0 HA SER A 3 -13.743 26.442 -8.342 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.615 28.725 -7.637 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.876 28.914 -7.527 1.00 0.00 H new ATOM 0 HG SER A 3 -14.699 29.549 -9.599 1.00 0.00 H new ATOM 30 N GLY A 4 -12.821 26.562 -6.013 1.00 0.00 N ATOM 31 CA GLY A 4 -12.329 26.380 -4.660 1.00 0.00 C ATOM 32 C GLY A 4 -12.316 27.673 -3.869 1.00 0.00 C ATOM 33 O GLY A 4 -13.220 28.499 -4.002 1.00 0.00 O ATOM 0 H GLY A 4 -12.098 26.590 -6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.953 25.649 -4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.320 25.969 -4.696 1.00 0.00 H new ATOM 37 N SER A 5 -11.290 27.850 -3.043 1.00 0.00 N ATOM 38 CA SER A 5 -11.167 29.049 -2.223 1.00 0.00 C ATOM 39 C SER A 5 -9.726 29.551 -2.208 1.00 0.00 C ATOM 40 O SER A 5 -8.828 28.877 -1.703 1.00 0.00 O ATOM 41 CB SER A 5 -11.636 28.767 -0.795 1.00 0.00 C ATOM 42 OG SER A 5 -11.774 29.969 -0.056 1.00 0.00 O ATOM 0 H SER A 5 -10.532 27.178 -2.924 1.00 0.00 H new ATOM 0 HA SER A 5 -11.799 29.823 -2.658 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.590 28.240 -0.820 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.922 28.111 -0.297 1.00 0.00 H new ATOM 0 HG SER A 5 -12.076 29.761 0.853 1.00 0.00 H new ATOM 48 N SER A 6 -9.513 30.738 -2.765 1.00 0.00 N ATOM 49 CA SER A 6 -8.181 31.330 -2.820 1.00 0.00 C ATOM 50 C SER A 6 -7.676 31.662 -1.419 1.00 0.00 C ATOM 51 O SER A 6 -8.418 32.182 -0.587 1.00 0.00 O ATOM 52 CB SER A 6 -8.196 32.594 -3.682 1.00 0.00 C ATOM 53 OG SER A 6 -8.226 32.270 -5.061 1.00 0.00 O ATOM 0 H SER A 6 -10.246 31.310 -3.185 1.00 0.00 H new ATOM 0 HA SER A 6 -7.505 30.602 -3.268 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.066 33.200 -3.429 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.313 33.196 -3.466 1.00 0.00 H new ATOM 0 HG SER A 6 -8.237 33.095 -5.591 1.00 0.00 H new ATOM 59 N GLY A 7 -6.407 31.357 -1.166 1.00 0.00 N ATOM 60 CA GLY A 7 -5.824 31.630 0.134 1.00 0.00 C ATOM 61 C GLY A 7 -4.645 30.727 0.442 1.00 0.00 C ATOM 62 O GLY A 7 -4.728 29.511 0.278 1.00 0.00 O ATOM 0 H GLY A 7 -5.773 30.926 -1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.501 32.670 0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.585 31.504 0.904 1.00 0.00 H new ATOM 66 N GLU A 8 -3.544 31.325 0.887 1.00 0.00 N ATOM 67 CA GLU A 8 -2.343 30.567 1.215 1.00 0.00 C ATOM 68 C GLU A 8 -2.590 29.644 2.405 1.00 0.00 C ATOM 69 O GLU A 8 -3.015 30.089 3.470 1.00 0.00 O ATOM 70 CB GLU A 8 -1.182 31.515 1.523 1.00 0.00 C ATOM 71 CG GLU A 8 -1.333 32.251 2.844 1.00 0.00 C ATOM 72 CD GLU A 8 -2.600 33.082 2.908 1.00 0.00 C ATOM 73 OE1 GLU A 8 -2.783 33.952 2.030 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.407 32.863 3.835 1.00 0.00 O ATOM 0 H GLU A 8 -3.459 32.332 1.028 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.083 29.956 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.253 30.945 1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.096 32.245 0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.336 31.528 3.660 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.470 32.899 2.995 1.00 0.00 H new ATOM 81 N GLU A 9 -2.322 28.356 2.213 1.00 0.00 N ATOM 82 CA GLU A 9 -2.517 27.370 3.270 1.00 0.00 C ATOM 83 C GLU A 9 -1.453 26.279 3.199 1.00 0.00 C ATOM 84 O GLU A 9 -1.256 25.656 2.155 1.00 0.00 O ATOM 85 CB GLU A 9 -3.910 26.747 3.166 1.00 0.00 C ATOM 86 CG GLU A 9 -4.150 25.623 4.161 1.00 0.00 C ATOM 87 CD GLU A 9 -5.483 24.933 3.950 1.00 0.00 C ATOM 88 OE1 GLU A 9 -5.583 24.105 3.021 1.00 0.00 O ATOM 89 OE2 GLU A 9 -6.428 25.222 4.715 1.00 0.00 O ATOM 0 H GLU A 9 -1.970 27.971 1.336 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.426 27.880 4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.659 27.524 3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.053 26.363 2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.348 24.890 4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.109 26.024 5.174 1.00 0.00 H new ATOM 96 N ASP A 10 -0.769 26.054 4.315 1.00 0.00 N ATOM 97 CA ASP A 10 0.275 25.038 4.381 1.00 0.00 C ATOM 98 C ASP A 10 -0.256 23.683 3.924 1.00 0.00 C ATOM 99 O ASP A 10 -1.455 23.519 3.699 1.00 0.00 O ATOM 100 CB ASP A 10 0.824 24.931 5.805 1.00 0.00 C ATOM 101 CG ASP A 10 2.101 24.116 5.873 1.00 0.00 C ATOM 102 OD1 ASP A 10 2.008 22.878 6.005 1.00 0.00 O ATOM 103 OD2 ASP A 10 3.193 24.717 5.797 1.00 0.00 O ATOM 0 H ASP A 10 -0.919 26.562 5.187 1.00 0.00 H new ATOM 0 HA ASP A 10 1.081 25.337 3.711 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.014 25.931 6.194 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.071 24.476 6.448 1.00 0.00 H new ATOM 108 N TRP A 11 0.644 22.715 3.790 1.00 0.00 N ATOM 109 CA TRP A 11 0.265 21.374 3.359 1.00 0.00 C ATOM 110 C TRP A 11 0.906 20.315 4.249 1.00 0.00 C ATOM 111 O TRP A 11 2.128 20.271 4.397 1.00 0.00 O ATOM 112 CB TRP A 11 0.675 21.150 1.902 1.00 0.00 C ATOM 113 CG TRP A 11 -0.174 20.136 1.196 1.00 0.00 C ATOM 114 CD1 TRP A 11 -1.016 19.228 1.772 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.261 19.926 -0.217 1.00 0.00 C ATOM 116 NE1 TRP A 11 -1.621 18.466 0.802 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.175 18.875 -0.427 1.00 0.00 C ATOM 118 CE3 TRP A 11 0.343 20.525 -1.326 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -1.497 18.412 -1.700 1.00 0.00 C ATOM 120 CZ3 TRP A 11 0.023 20.063 -2.589 1.00 0.00 C ATOM 121 CH2 TRP A 11 -0.891 19.016 -2.768 1.00 0.00 C ATOM 0 H TRP A 11 1.640 22.834 3.973 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.818 21.285 3.442 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.618 22.097 1.366 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.716 20.828 1.870 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.182 19.124 2.834 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.293 17.717 0.970 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.047 21.334 -1.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.200 17.604 -1.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.486 20.517 -3.453 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.122 18.679 -3.768 1.00 0.00 H new ATOM 132 N VAL A 12 0.075 19.463 4.840 1.00 0.00 N ATOM 133 CA VAL A 12 0.562 18.403 5.715 1.00 0.00 C ATOM 134 C VAL A 12 1.160 17.256 4.908 1.00 0.00 C ATOM 135 O VAL A 12 2.174 16.673 5.295 1.00 0.00 O ATOM 136 CB VAL A 12 -0.564 17.853 6.611 1.00 0.00 C ATOM 137 CG1 VAL A 12 -0.100 16.606 7.347 1.00 0.00 C ATOM 138 CG2 VAL A 12 -1.031 18.918 7.592 1.00 0.00 C ATOM 0 H VAL A 12 -0.939 19.486 4.729 1.00 0.00 H new ATOM 0 HA VAL A 12 1.335 18.843 6.345 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.408 17.579 5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.909 16.232 7.975 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.182 15.841 6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.760 16.850 7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.827 18.513 8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.195 19.225 8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.406 19.781 7.041 1.00 0.00 H new ATOM 148 N LEU A 13 0.527 16.937 3.785 1.00 0.00 N ATOM 149 CA LEU A 13 0.997 15.859 2.922 1.00 0.00 C ATOM 150 C LEU A 13 2.520 15.852 2.839 1.00 0.00 C ATOM 151 O LEU A 13 3.181 14.881 3.207 1.00 0.00 O ATOM 152 CB LEU A 13 0.399 16.004 1.521 1.00 0.00 C ATOM 153 CG LEU A 13 1.285 15.544 0.363 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.442 14.032 0.377 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.709 16.010 -0.967 1.00 0.00 C ATOM 0 H LEU A 13 -0.313 17.409 3.451 1.00 0.00 H new ATOM 0 HA LEU A 13 0.671 14.913 3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.533 15.440 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.144 17.052 1.363 1.00 0.00 H new ATOM 0 HG LEU A 13 2.271 15.991 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.076 13.724 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.900 13.722 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.463 13.564 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.352 15.674 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.289 15.592 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.651 17.098 -0.977 1.00 0.00 H new ATOM 167 N PRO A 14 3.091 16.961 2.346 1.00 0.00 N ATOM 168 CA PRO A 14 4.543 17.108 2.207 1.00 0.00 C ATOM 169 C PRO A 14 5.246 17.227 3.555 1.00 0.00 C ATOM 170 O PRO A 14 6.416 16.869 3.689 1.00 0.00 O ATOM 171 CB PRO A 14 4.692 18.406 1.409 1.00 0.00 C ATOM 172 CG PRO A 14 3.452 19.177 1.705 1.00 0.00 C ATOM 173 CD PRO A 14 2.363 18.156 1.888 1.00 0.00 C ATOM 0 HA PRO A 14 4.997 16.241 1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.582 18.957 1.712 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.789 18.206 0.342 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.574 19.783 2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.213 19.860 0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.625 18.482 2.621 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.827 17.968 0.957 1.00 0.00 H new ATOM 181 N SER A 15 4.524 17.731 4.551 1.00 0.00 N ATOM 182 CA SER A 15 5.081 17.900 5.888 1.00 0.00 C ATOM 183 C SER A 15 5.395 16.547 6.520 1.00 0.00 C ATOM 184 O SER A 15 6.316 16.428 7.328 1.00 0.00 O ATOM 185 CB SER A 15 4.105 18.675 6.775 1.00 0.00 C ATOM 186 OG SER A 15 4.738 19.120 7.963 1.00 0.00 O ATOM 0 H SER A 15 3.553 18.029 4.457 1.00 0.00 H new ATOM 0 HA SER A 15 6.009 18.465 5.800 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.711 19.531 6.227 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.256 18.040 7.028 1.00 0.00 H new ATOM 0 HG SER A 15 4.094 19.614 8.512 1.00 0.00 H new ATOM 192 N GLU A 16 4.624 15.532 6.145 1.00 0.00 N ATOM 193 CA GLU A 16 4.819 14.188 6.676 1.00 0.00 C ATOM 194 C GLU A 16 5.845 13.420 5.847 1.00 0.00 C ATOM 195 O GLU A 16 6.648 12.657 6.384 1.00 0.00 O ATOM 196 CB GLU A 16 3.493 13.427 6.700 1.00 0.00 C ATOM 197 CG GLU A 16 3.622 11.994 7.188 1.00 0.00 C ATOM 198 CD GLU A 16 2.277 11.329 7.408 1.00 0.00 C ATOM 199 OE1 GLU A 16 1.274 11.815 6.844 1.00 0.00 O ATOM 200 OE2 GLU A 16 2.227 10.321 8.144 1.00 0.00 O ATOM 0 H GLU A 16 3.859 15.614 5.476 1.00 0.00 H new ATOM 0 HA GLU A 16 5.195 14.278 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.790 13.959 7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.068 13.423 5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.194 11.417 6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.186 11.981 8.120 1.00 0.00 H new ATOM 207 N VAL A 17 5.810 13.626 4.534 1.00 0.00 N ATOM 208 CA VAL A 17 6.735 12.954 3.630 1.00 0.00 C ATOM 209 C VAL A 17 8.177 13.119 4.097 1.00 0.00 C ATOM 210 O VAL A 17 8.832 12.148 4.475 1.00 0.00 O ATOM 211 CB VAL A 17 6.608 13.494 2.193 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.629 12.832 1.281 1.00 0.00 C ATOM 213 CG2 VAL A 17 5.196 13.283 1.669 1.00 0.00 C ATOM 0 H VAL A 17 5.151 14.253 4.073 1.00 0.00 H new ATOM 0 HA VAL A 17 6.472 11.896 3.637 1.00 0.00 H new ATOM 0 HB VAL A 17 6.810 14.565 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.524 13.226 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.634 13.040 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.462 11.755 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.123 13.670 0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.963 12.218 1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.488 13.809 2.309 1.00 0.00 H new ATOM 223 N GLU A 18 8.665 14.355 4.069 1.00 0.00 N ATOM 224 CA GLU A 18 10.031 14.647 4.489 1.00 0.00 C ATOM 225 C GLU A 18 10.405 13.833 5.725 1.00 0.00 C ATOM 226 O GLU A 18 11.577 13.540 5.957 1.00 0.00 O ATOM 227 CB GLU A 18 10.190 16.140 4.781 1.00 0.00 C ATOM 228 CG GLU A 18 9.598 16.567 6.114 1.00 0.00 C ATOM 229 CD GLU A 18 9.735 18.056 6.363 1.00 0.00 C ATOM 230 OE1 GLU A 18 9.105 18.843 5.625 1.00 0.00 O ATOM 231 OE2 GLU A 18 10.473 18.435 7.297 1.00 0.00 O ATOM 0 H GLU A 18 8.135 15.170 3.760 1.00 0.00 H new ATOM 0 HA GLU A 18 10.702 14.370 3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.250 16.393 4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.715 16.710 3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.543 16.293 6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.092 16.021 6.918 1.00 0.00 H new ATOM 238 N VAL A 19 9.399 13.472 6.515 1.00 0.00 N ATOM 239 CA VAL A 19 9.620 12.693 7.727 1.00 0.00 C ATOM 240 C VAL A 19 9.599 11.197 7.430 1.00 0.00 C ATOM 241 O VAL A 19 10.443 10.444 7.918 1.00 0.00 O ATOM 242 CB VAL A 19 8.560 13.007 8.799 1.00 0.00 C ATOM 243 CG1 VAL A 19 8.779 12.149 10.036 1.00 0.00 C ATOM 244 CG2 VAL A 19 8.585 14.486 9.155 1.00 0.00 C ATOM 0 H VAL A 19 8.422 13.707 6.337 1.00 0.00 H new ATOM 0 HA VAL A 19 10.603 12.972 8.107 1.00 0.00 H new ATOM 0 HB VAL A 19 7.577 12.770 8.392 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.020 12.386 10.782 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.706 11.096 9.766 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.768 12.350 10.448 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.830 14.690 9.914 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.569 14.751 9.542 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.374 15.078 8.265 1.00 0.00 H new ATOM 254 N LEU A 20 8.630 10.773 6.627 1.00 0.00 N ATOM 255 CA LEU A 20 8.498 9.367 6.264 1.00 0.00 C ATOM 256 C LEU A 20 9.718 8.889 5.483 1.00 0.00 C ATOM 257 O LEU A 20 10.338 7.887 5.836 1.00 0.00 O ATOM 258 CB LEU A 20 7.231 9.151 5.434 1.00 0.00 C ATOM 259 CG LEU A 20 5.907 9.254 6.191 1.00 0.00 C ATOM 260 CD1 LEU A 20 4.745 9.385 5.218 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.714 8.046 7.096 1.00 0.00 C ATOM 0 H LEU A 20 7.924 11.383 6.215 1.00 0.00 H new ATOM 0 HA LEU A 20 8.427 8.785 7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.222 9.882 4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.287 8.165 4.972 1.00 0.00 H new ATOM 0 HG LEU A 20 5.935 10.148 6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.811 9.457 5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.877 10.282 4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.714 8.510 4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.766 8.137 7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.707 7.138 6.494 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.530 7.997 7.817 1.00 0.00 H new ATOM 273 N GLU A 21 10.058 9.616 4.423 1.00 0.00 N ATOM 274 CA GLU A 21 11.206 9.266 3.594 1.00 0.00 C ATOM 275 C GLU A 21 12.382 8.816 4.456 1.00 0.00 C ATOM 276 O GLU A 21 13.037 7.818 4.158 1.00 0.00 O ATOM 277 CB GLU A 21 11.620 10.458 2.729 1.00 0.00 C ATOM 278 CG GLU A 21 10.761 10.637 1.488 1.00 0.00 C ATOM 279 CD GLU A 21 11.073 9.618 0.410 1.00 0.00 C ATOM 280 OE1 GLU A 21 10.865 8.411 0.658 1.00 0.00 O ATOM 281 OE2 GLU A 21 11.525 10.026 -0.680 1.00 0.00 O ATOM 0 H GLU A 21 9.556 10.450 4.118 1.00 0.00 H new ATOM 0 HA GLU A 21 10.916 8.439 2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.570 11.366 3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.660 10.333 2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.710 10.558 1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.911 11.640 1.089 1.00 0.00 H new ATOM 288 N SER A 22 12.644 9.562 5.525 1.00 0.00 N ATOM 289 CA SER A 22 13.744 9.243 6.428 1.00 0.00 C ATOM 290 C SER A 22 13.691 7.779 6.853 1.00 0.00 C ATOM 291 O SER A 22 14.716 7.098 6.905 1.00 0.00 O ATOM 292 CB SER A 22 13.697 10.146 7.662 1.00 0.00 C ATOM 293 OG SER A 22 13.879 11.505 7.306 1.00 0.00 O ATOM 0 H SER A 22 12.110 10.391 5.787 1.00 0.00 H new ATOM 0 HA SER A 22 14.680 9.415 5.896 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.740 10.025 8.169 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.472 9.844 8.367 1.00 0.00 H new ATOM 0 HG SER A 22 13.843 12.062 8.112 1.00 0.00 H new ATOM 299 N ILE A 23 12.489 7.301 7.157 1.00 0.00 N ATOM 300 CA ILE A 23 12.301 5.917 7.577 1.00 0.00 C ATOM 301 C ILE A 23 12.114 4.999 6.374 1.00 0.00 C ATOM 302 O ILE A 23 12.851 4.027 6.202 1.00 0.00 O ATOM 303 CB ILE A 23 11.086 5.773 8.512 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.277 6.628 9.767 1.00 0.00 C ATOM 305 CG2 ILE A 23 10.877 4.313 8.886 1.00 0.00 C ATOM 306 CD1 ILE A 23 9.978 7.006 10.443 1.00 0.00 C ATOM 0 H ILE A 23 11.631 7.851 7.120 1.00 0.00 H new ATOM 0 HA ILE A 23 13.202 5.626 8.117 1.00 0.00 H new ATOM 0 HB ILE A 23 10.198 6.125 7.987 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.901 6.084 10.476 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.816 7.537 9.499 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.015 4.227 9.547 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.702 3.728 7.983 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.764 3.937 9.396 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.189 7.611 11.325 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.360 7.577 9.750 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.447 6.102 10.742 1.00 0.00 H new ATOM 318 N TYR A 24 11.126 5.313 5.544 1.00 0.00 N ATOM 319 CA TYR A 24 10.842 4.516 4.357 1.00 0.00 C ATOM 320 C TYR A 24 11.612 5.042 3.150 1.00 0.00 C ATOM 321 O TYR A 24 11.073 5.132 2.045 1.00 0.00 O ATOM 322 CB TYR A 24 9.341 4.521 4.061 1.00 0.00 C ATOM 323 CG TYR A 24 8.490 4.105 5.239 1.00 0.00 C ATOM 324 CD1 TYR A 24 8.645 2.856 5.828 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.531 4.962 5.765 1.00 0.00 C ATOM 326 CE1 TYR A 24 7.869 2.472 6.904 1.00 0.00 C ATOM 327 CE2 TYR A 24 6.751 4.587 6.842 1.00 0.00 C ATOM 328 CZ TYR A 24 6.924 3.341 7.408 1.00 0.00 C ATOM 329 OH TYR A 24 6.150 2.963 8.481 1.00 0.00 O ATOM 0 H TYR A 24 10.508 6.114 5.671 1.00 0.00 H new ATOM 0 HA TYR A 24 11.164 3.493 4.552 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.045 5.521 3.745 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.142 3.851 3.225 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.385 2.174 5.437 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.393 5.938 5.324 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.001 1.497 7.348 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.010 5.265 7.238 1.00 0.00 H new ATOM 0 HH TYR A 24 5.535 3.690 8.713 1.00 0.00 H new ATOM 339 N LEU A 25 12.875 5.389 3.368 1.00 0.00 N ATOM 340 CA LEU A 25 13.722 5.907 2.298 1.00 0.00 C ATOM 341 C LEU A 25 13.458 5.169 0.990 1.00 0.00 C ATOM 342 O LEU A 25 13.032 5.769 0.002 1.00 0.00 O ATOM 343 CB LEU A 25 15.197 5.778 2.682 1.00 0.00 C ATOM 344 CG LEU A 25 15.744 6.856 3.618 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.146 6.495 4.086 1.00 0.00 C ATOM 346 CD2 LEU A 25 15.743 8.212 2.928 1.00 0.00 C ATOM 0 H LEU A 25 13.336 5.321 4.275 1.00 0.00 H new ATOM 0 HA LEU A 25 13.481 6.960 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.345 4.807 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.791 5.783 1.768 1.00 0.00 H new ATOM 0 HG LEU A 25 15.095 6.915 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.519 7.274 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.118 5.545 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.806 6.408 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.136 8.967 3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.369 8.167 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.724 8.475 2.643 1.00 0.00 H new ATOM 358 N ASP A 26 13.712 3.865 0.990 1.00 0.00 N ATOM 359 CA ASP A 26 13.499 3.044 -0.196 1.00 0.00 C ATOM 360 C ASP A 26 12.130 2.373 -0.154 1.00 0.00 C ATOM 361 O ASP A 26 11.351 2.472 -1.101 1.00 0.00 O ATOM 362 CB ASP A 26 14.596 1.985 -0.314 1.00 0.00 C ATOM 363 CG ASP A 26 14.889 1.612 -1.754 1.00 0.00 C ATOM 364 OD1 ASP A 26 15.358 2.487 -2.510 1.00 0.00 O ATOM 365 OD2 ASP A 26 14.648 0.444 -2.124 1.00 0.00 O ATOM 0 H ASP A 26 14.066 3.354 1.799 1.00 0.00 H new ATOM 0 HA ASP A 26 13.538 3.695 -1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.507 2.357 0.155 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.296 1.093 0.235 1.00 0.00 H new ATOM 370 N GLU A 27 11.845 1.690 0.950 1.00 0.00 N ATOM 371 CA GLU A 27 10.570 1.001 1.114 1.00 0.00 C ATOM 372 C GLU A 27 9.442 1.778 0.442 1.00 0.00 C ATOM 373 O GLU A 27 8.711 1.239 -0.390 1.00 0.00 O ATOM 374 CB GLU A 27 10.257 0.807 2.599 1.00 0.00 C ATOM 375 CG GLU A 27 11.325 0.028 3.350 1.00 0.00 C ATOM 376 CD GLU A 27 11.054 -0.045 4.840 1.00 0.00 C ATOM 377 OE1 GLU A 27 11.320 0.953 5.542 1.00 0.00 O ATOM 378 OE2 GLU A 27 10.575 -1.101 5.304 1.00 0.00 O ATOM 0 H GLU A 27 12.479 1.599 1.744 1.00 0.00 H new ATOM 0 HA GLU A 27 10.650 0.024 0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.136 1.784 3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.304 0.287 2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.385 -0.982 2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.295 0.496 3.183 1.00 0.00 H new ATOM 385 N LEU A 28 9.305 3.047 0.810 1.00 0.00 N ATOM 386 CA LEU A 28 8.265 3.900 0.245 1.00 0.00 C ATOM 387 C LEU A 28 8.855 4.885 -0.759 1.00 0.00 C ATOM 388 O LEU A 28 10.011 5.289 -0.640 1.00 0.00 O ATOM 389 CB LEU A 28 7.540 4.660 1.357 1.00 0.00 C ATOM 390 CG LEU A 28 6.497 5.681 0.902 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.415 5.846 1.959 1.00 0.00 C ATOM 392 CD2 LEU A 28 7.156 7.018 0.598 1.00 0.00 C ATOM 0 H LEU A 28 9.901 3.508 1.497 1.00 0.00 H new ATOM 0 HA LEU A 28 7.550 3.263 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.050 3.934 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.285 5.177 1.962 1.00 0.00 H new ATOM 0 HG LEU A 28 6.031 5.313 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.681 6.576 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.922 4.889 2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.865 6.191 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.398 7.732 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.650 7.393 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.893 6.889 -0.195 1.00 0.00 H new ATOM 404 N GLN A 29 8.052 5.268 -1.747 1.00 0.00 N ATOM 405 CA GLN A 29 8.495 6.207 -2.770 1.00 0.00 C ATOM 406 C GLN A 29 7.532 7.384 -2.882 1.00 0.00 C ATOM 407 O GLN A 29 6.342 7.255 -2.596 1.00 0.00 O ATOM 408 CB GLN A 29 8.616 5.501 -4.122 1.00 0.00 C ATOM 409 CG GLN A 29 9.878 4.666 -4.261 1.00 0.00 C ATOM 410 CD GLN A 29 9.698 3.248 -3.755 1.00 0.00 C ATOM 411 OE1 GLN A 29 8.601 2.852 -3.360 1.00 0.00 O ATOM 412 NE2 GLN A 29 10.778 2.475 -3.763 1.00 0.00 N ATOM 0 H GLN A 29 7.092 4.942 -1.860 1.00 0.00 H new ATOM 0 HA GLN A 29 9.474 6.588 -2.478 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.747 4.858 -4.266 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.595 6.248 -4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.177 4.639 -5.309 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.688 5.144 -3.710 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.667 2.845 -4.099 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.718 1.512 -3.433 1.00 0.00 H new ATOM 421 N VAL A 30 8.055 8.532 -3.301 1.00 0.00 N ATOM 422 CA VAL A 30 7.241 9.733 -3.452 1.00 0.00 C ATOM 423 C VAL A 30 7.536 10.435 -4.773 1.00 0.00 C ATOM 424 O VAL A 30 8.668 10.414 -5.259 1.00 0.00 O ATOM 425 CB VAL A 30 7.479 10.721 -2.294 1.00 0.00 C ATOM 426 CG1 VAL A 30 6.689 12.002 -2.515 1.00 0.00 C ATOM 427 CG2 VAL A 30 7.111 10.081 -0.964 1.00 0.00 C ATOM 0 H VAL A 30 9.038 8.656 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 30 6.199 9.413 -3.439 1.00 0.00 H new ATOM 0 HB VAL A 30 8.539 10.975 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.869 12.688 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.005 12.468 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.626 11.769 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.285 10.793 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.059 9.796 -0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.725 9.194 -0.805 1.00 0.00 H new ATOM 437 N ILE A 31 6.512 11.055 -5.349 1.00 0.00 N ATOM 438 CA ILE A 31 6.662 11.764 -6.613 1.00 0.00 C ATOM 439 C ILE A 31 6.346 13.247 -6.452 1.00 0.00 C ATOM 440 O ILE A 31 5.183 13.649 -6.448 1.00 0.00 O ATOM 441 CB ILE A 31 5.750 11.172 -7.703 1.00 0.00 C ATOM 442 CG1 ILE A 31 6.022 9.675 -7.869 1.00 0.00 C ATOM 443 CG2 ILE A 31 5.956 11.903 -9.021 1.00 0.00 C ATOM 444 CD1 ILE A 31 7.403 9.368 -8.405 1.00 0.00 C ATOM 0 H ILE A 31 5.569 11.081 -4.960 1.00 0.00 H new ATOM 0 HA ILE A 31 7.702 11.647 -6.918 1.00 0.00 H new ATOM 0 HB ILE A 31 4.712 11.302 -7.397 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.897 9.182 -6.905 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.277 9.251 -8.542 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.304 11.473 -9.781 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.717 12.959 -8.893 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.995 11.802 -9.334 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.526 8.289 -8.497 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.525 9.832 -9.384 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.155 9.762 -7.721 1.00 0.00 H new ATOM 456 N LYS A 32 7.391 14.058 -6.321 1.00 0.00 N ATOM 457 CA LYS A 32 7.227 15.498 -6.163 1.00 0.00 C ATOM 458 C LYS A 32 6.473 16.094 -7.348 1.00 0.00 C ATOM 459 O LYS A 32 7.040 16.289 -8.422 1.00 0.00 O ATOM 460 CB LYS A 32 8.592 16.175 -6.021 1.00 0.00 C ATOM 461 CG LYS A 32 9.320 15.815 -4.738 1.00 0.00 C ATOM 462 CD LYS A 32 8.801 16.620 -3.558 1.00 0.00 C ATOM 463 CE LYS A 32 9.514 16.242 -2.269 1.00 0.00 C ATOM 464 NZ LYS A 32 8.920 15.029 -1.642 1.00 0.00 N ATOM 0 H LYS A 32 8.361 13.742 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 32 6.645 15.675 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.215 15.899 -6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.458 17.256 -6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.198 14.751 -4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.388 15.996 -4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.939 17.684 -3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.730 16.453 -3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.569 16.064 -2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.463 17.075 -1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.329 14.892 -0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.890 15.149 -1.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.126 14.197 -2.232 1.00 0.00 H new ATOM 478 N GLY A 33 5.191 16.381 -7.144 1.00 0.00 N ATOM 479 CA GLY A 33 4.381 16.953 -8.204 1.00 0.00 C ATOM 480 C GLY A 33 4.807 18.363 -8.563 1.00 0.00 C ATOM 481 O GLY A 33 4.901 19.229 -7.695 1.00 0.00 O ATOM 0 H GLY A 33 4.699 16.228 -6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.447 16.320 -9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.336 16.960 -7.895 1.00 0.00 H new ATOM 485 N ASN A 34 5.066 18.592 -9.846 1.00 0.00 N ATOM 486 CA ASN A 34 5.486 19.906 -10.318 1.00 0.00 C ATOM 487 C ASN A 34 4.290 20.719 -10.802 1.00 0.00 C ATOM 488 O ASN A 34 3.815 20.537 -11.923 1.00 0.00 O ATOM 489 CB ASN A 34 6.510 19.763 -11.446 1.00 0.00 C ATOM 490 CG ASN A 34 7.293 21.040 -11.682 1.00 0.00 C ATOM 491 OD1 ASN A 34 7.252 21.965 -10.871 1.00 0.00 O ATOM 492 ND2 ASN A 34 8.011 21.096 -12.798 1.00 0.00 N ATOM 0 H ASN A 34 4.992 17.885 -10.577 1.00 0.00 H new ATOM 0 HA ASN A 34 5.947 20.434 -9.483 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.201 18.956 -11.205 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.997 19.480 -12.365 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.558 21.930 -13.011 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.015 20.305 -13.442 1.00 0.00 H new ATOM 499 N GLY A 35 3.806 21.617 -9.949 1.00 0.00 N ATOM 500 CA GLY A 35 2.670 22.445 -10.308 1.00 0.00 C ATOM 501 C GLY A 35 1.638 22.525 -9.201 1.00 0.00 C ATOM 502 O GLY A 35 1.255 21.507 -8.624 1.00 0.00 O ATOM 0 H GLY A 35 4.181 21.786 -9.015 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.018 23.449 -10.549 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.203 22.045 -11.208 1.00 0.00 H new ATOM 506 N ARG A 36 1.187 23.739 -8.901 1.00 0.00 N ATOM 507 CA ARG A 36 0.196 23.948 -7.852 1.00 0.00 C ATOM 508 C ARG A 36 -1.024 23.060 -8.073 1.00 0.00 C ATOM 509 O ARG A 36 -1.549 22.462 -7.133 1.00 0.00 O ATOM 510 CB ARG A 36 -0.230 25.417 -7.810 1.00 0.00 C ATOM 511 CG ARG A 36 0.801 26.332 -7.171 1.00 0.00 C ATOM 512 CD ARG A 36 0.147 27.548 -6.532 1.00 0.00 C ATOM 513 NE ARG A 36 -0.065 28.625 -7.495 1.00 0.00 N ATOM 514 CZ ARG A 36 -0.987 29.570 -7.349 1.00 0.00 C ATOM 515 NH1 ARG A 36 -1.778 29.570 -6.285 1.00 0.00 N ATOM 516 NH2 ARG A 36 -1.119 30.517 -8.269 1.00 0.00 N ATOM 0 H ARG A 36 1.492 24.592 -9.369 1.00 0.00 H new ATOM 0 HA ARG A 36 0.651 23.681 -6.898 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.426 25.759 -8.826 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.167 25.499 -7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.361 25.780 -6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.518 26.657 -7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.809 27.258 -6.096 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.773 27.909 -5.716 1.00 0.00 H new ATOM 0 HE ARG A 36 0.527 28.653 -8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.679 28.843 -5.576 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.485 30.297 -6.175 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.512 30.520 -9.089 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.827 31.242 -8.156 1.00 0.00 H new ATOM 530 N THR A 37 -1.472 22.977 -9.322 1.00 0.00 N ATOM 531 CA THR A 37 -2.631 22.163 -9.666 1.00 0.00 C ATOM 532 C THR A 37 -2.222 20.731 -9.988 1.00 0.00 C ATOM 533 O THR A 37 -2.832 20.075 -10.831 1.00 0.00 O ATOM 534 CB THR A 37 -3.392 22.750 -10.870 1.00 0.00 C ATOM 535 OG1 THR A 37 -4.650 22.084 -11.026 1.00 0.00 O ATOM 536 CG2 THR A 37 -2.576 22.610 -12.146 1.00 0.00 C ATOM 0 H THR A 37 -1.049 23.464 -10.112 1.00 0.00 H new ATOM 0 HA THR A 37 -3.286 22.163 -8.795 1.00 0.00 H new ATOM 0 HB THR A 37 -3.564 23.810 -10.682 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.510 21.114 -11.021 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.134 23.031 -12.982 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.632 23.143 -12.034 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.377 21.555 -12.337 1.00 0.00 H new ATOM 544 N SER A 38 -1.184 20.250 -9.310 1.00 0.00 N ATOM 545 CA SER A 38 -0.691 18.895 -9.526 1.00 0.00 C ATOM 546 C SER A 38 -0.593 18.136 -8.206 1.00 0.00 C ATOM 547 O SER A 38 0.122 18.531 -7.285 1.00 0.00 O ATOM 548 CB SER A 38 0.677 18.931 -10.210 1.00 0.00 C ATOM 549 OG SER A 38 0.595 19.546 -11.484 1.00 0.00 O ATOM 0 H SER A 38 -0.669 20.779 -8.607 1.00 0.00 H new ATOM 0 HA SER A 38 -1.399 18.375 -10.172 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.385 19.475 -9.585 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.060 17.916 -10.317 1.00 0.00 H new ATOM 0 HG SER A 38 1.483 19.558 -11.899 1.00 0.00 H new ATOM 555 N PRO A 39 -1.328 17.018 -8.112 1.00 0.00 N ATOM 556 CA PRO A 39 -1.342 16.179 -6.910 1.00 0.00 C ATOM 557 C PRO A 39 -0.021 15.445 -6.701 1.00 0.00 C ATOM 558 O PRO A 39 0.889 15.539 -7.525 1.00 0.00 O ATOM 559 CB PRO A 39 -2.470 15.182 -7.187 1.00 0.00 C ATOM 560 CG PRO A 39 -2.561 15.115 -8.672 1.00 0.00 C ATOM 561 CD PRO A 39 -2.203 16.488 -9.171 1.00 0.00 C ATOM 0 HA PRO A 39 -1.487 16.767 -6.004 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -2.248 14.204 -6.760 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.410 15.516 -6.748 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.879 14.364 -9.071 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.565 14.834 -8.989 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.690 16.445 -10.132 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.088 17.109 -9.309 1.00 0.00 H new ATOM 569 N TRP A 40 0.075 14.714 -5.597 1.00 0.00 N ATOM 570 CA TRP A 40 1.285 13.963 -5.280 1.00 0.00 C ATOM 571 C TRP A 40 1.044 12.463 -5.410 1.00 0.00 C ATOM 572 O TRP A 40 -0.095 12.002 -5.348 1.00 0.00 O ATOM 573 CB TRP A 40 1.761 14.296 -3.865 1.00 0.00 C ATOM 574 CG TRP A 40 2.366 15.662 -3.748 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.940 16.803 -4.366 1.00 0.00 C ATOM 576 CD2 TRP A 40 3.508 16.029 -2.967 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.748 17.857 -4.015 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.717 17.409 -3.157 1.00 0.00 C ATOM 579 CE3 TRP A 40 4.373 15.327 -2.123 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.756 18.097 -2.536 1.00 0.00 C ATOM 581 CZ3 TRP A 40 5.404 16.012 -1.507 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.588 17.385 -1.715 1.00 0.00 C ATOM 0 H TRP A 40 -0.670 14.625 -4.906 1.00 0.00 H new ATOM 0 HA TRP A 40 2.059 14.250 -5.992 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.918 14.220 -3.178 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.495 13.553 -3.552 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.093 16.867 -5.033 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.643 18.818 -4.341 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.239 14.269 -1.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.900 19.155 -2.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.079 15.479 -0.854 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.402 17.892 -1.218 1.00 0.00 H new ATOM 593 N GLU A 41 2.123 11.708 -5.589 1.00 0.00 N ATOM 594 CA GLU A 41 2.027 10.260 -5.727 1.00 0.00 C ATOM 595 C GLU A 41 3.010 9.557 -4.794 1.00 0.00 C ATOM 596 O GLU A 41 4.120 10.040 -4.568 1.00 0.00 O ATOM 597 CB GLU A 41 2.295 9.844 -7.175 1.00 0.00 C ATOM 598 CG GLU A 41 1.573 8.572 -7.587 1.00 0.00 C ATOM 599 CD GLU A 41 0.197 8.844 -8.163 1.00 0.00 C ATOM 600 OE1 GLU A 41 -0.462 9.798 -7.699 1.00 0.00 O ATOM 601 OE2 GLU A 41 -0.222 8.102 -9.076 1.00 0.00 O ATOM 0 H GLU A 41 3.073 12.075 -5.642 1.00 0.00 H new ATOM 0 HA GLU A 41 1.015 9.962 -5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.993 10.654 -7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.367 9.703 -7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.173 8.040 -8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.478 7.916 -6.722 1.00 0.00 H new ATOM 608 N ILE A 42 2.593 8.416 -4.256 1.00 0.00 N ATOM 609 CA ILE A 42 3.436 7.648 -3.348 1.00 0.00 C ATOM 610 C ILE A 42 3.187 6.151 -3.503 1.00 0.00 C ATOM 611 O ILE A 42 2.042 5.699 -3.509 1.00 0.00 O ATOM 612 CB ILE A 42 3.195 8.048 -1.881 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.492 9.536 -1.680 1.00 0.00 C ATOM 614 CG2 ILE A 42 4.053 7.201 -0.953 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.928 10.096 -0.393 1.00 0.00 C ATOM 0 H ILE A 42 1.677 8.003 -4.433 1.00 0.00 H new ATOM 0 HA ILE A 42 4.470 7.872 -3.611 1.00 0.00 H new ATOM 0 HB ILE A 42 2.147 7.870 -1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.571 9.687 -1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.083 10.097 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.871 7.496 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.798 6.149 -1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.106 7.351 -1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.177 11.155 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.845 9.976 -0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.356 9.561 0.455 1.00 0.00 H new ATOM 627 N TYR A 43 4.267 5.387 -3.625 1.00 0.00 N ATOM 628 CA TYR A 43 4.167 3.941 -3.780 1.00 0.00 C ATOM 629 C TYR A 43 4.885 3.221 -2.643 1.00 0.00 C ATOM 630 O TYR A 43 5.737 3.799 -1.967 1.00 0.00 O ATOM 631 CB TYR A 43 4.755 3.509 -5.124 1.00 0.00 C ATOM 632 CG TYR A 43 4.151 4.229 -6.308 1.00 0.00 C ATOM 633 CD1 TYR A 43 4.459 5.559 -6.569 1.00 0.00 C ATOM 634 CD2 TYR A 43 3.273 3.580 -7.168 1.00 0.00 C ATOM 635 CE1 TYR A 43 3.909 6.221 -7.649 1.00 0.00 C ATOM 636 CE2 TYR A 43 2.720 4.234 -8.252 1.00 0.00 C ATOM 637 CZ TYR A 43 3.041 5.555 -8.488 1.00 0.00 C ATOM 638 OH TYR A 43 2.492 6.210 -9.566 1.00 0.00 O ATOM 0 H TYR A 43 5.222 5.745 -3.620 1.00 0.00 H new ATOM 0 HA TYR A 43 3.112 3.670 -3.749 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.831 3.684 -5.113 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.607 2.436 -5.248 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.140 6.084 -5.916 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.019 2.546 -6.986 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.158 7.255 -7.835 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.040 3.714 -8.911 1.00 0.00 H new ATOM 0 HH TYR A 43 1.532 6.339 -9.416 1.00 0.00 H new ATOM 648 N ILE A 44 4.535 1.955 -2.439 1.00 0.00 N ATOM 649 CA ILE A 44 5.147 1.154 -1.386 1.00 0.00 C ATOM 650 C ILE A 44 4.964 -0.336 -1.652 1.00 0.00 C ATOM 651 O ILE A 44 3.965 -0.756 -2.237 1.00 0.00 O ATOM 652 CB ILE A 44 4.556 1.494 -0.005 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.304 0.736 1.095 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.072 1.164 0.032 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.181 1.376 2.460 1.00 0.00 C ATOM 0 H ILE A 44 3.831 1.462 -2.989 1.00 0.00 H new ATOM 0 HA ILE A 44 6.211 1.392 -1.386 1.00 0.00 H new ATOM 0 HB ILE A 44 4.675 2.563 0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.924 -0.284 1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.359 0.670 0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.669 1.410 1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.551 1.744 -0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.931 0.101 -0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.735 0.786 3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.588 2.387 2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.131 1.417 2.749 1.00 0.00 H new ATOM 667 N THR A 45 5.935 -1.133 -1.216 1.00 0.00 N ATOM 668 CA THR A 45 5.881 -2.577 -1.406 1.00 0.00 C ATOM 669 C THR A 45 5.682 -3.300 -0.078 1.00 0.00 C ATOM 670 O THR A 45 6.586 -3.344 0.757 1.00 0.00 O ATOM 671 CB THR A 45 7.163 -3.104 -2.077 1.00 0.00 C ATOM 672 OG1 THR A 45 7.403 -2.397 -3.299 1.00 0.00 O ATOM 673 CG2 THR A 45 7.053 -4.594 -2.361 1.00 0.00 C ATOM 0 H THR A 45 6.768 -0.802 -0.729 1.00 0.00 H new ATOM 0 HA THR A 45 5.030 -2.778 -2.057 1.00 0.00 H new ATOM 0 HB THR A 45 7.997 -2.941 -1.394 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.221 -2.737 -3.718 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.971 -4.943 -2.835 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.900 -5.132 -1.426 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.209 -4.776 -3.026 1.00 0.00 H new ATOM 681 N LEU A 46 4.495 -3.865 0.110 1.00 0.00 N ATOM 682 CA LEU A 46 4.178 -4.587 1.337 1.00 0.00 C ATOM 683 C LEU A 46 4.004 -6.078 1.063 1.00 0.00 C ATOM 684 O LEU A 46 3.549 -6.473 -0.011 1.00 0.00 O ATOM 685 CB LEU A 46 2.905 -4.022 1.970 1.00 0.00 C ATOM 686 CG LEU A 46 3.033 -2.644 2.620 1.00 0.00 C ATOM 687 CD1 LEU A 46 1.665 -2.110 3.015 1.00 0.00 C ATOM 688 CD2 LEU A 46 3.952 -2.709 3.832 1.00 0.00 C ATOM 0 H LEU A 46 3.736 -3.837 -0.571 1.00 0.00 H new ATOM 0 HA LEU A 46 5.010 -4.458 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.134 -3.969 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.555 -4.726 2.725 1.00 0.00 H new ATOM 0 HG LEU A 46 3.471 -1.960 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.777 -1.129 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.038 -2.025 2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.199 -2.793 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.031 -1.719 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.543 -3.408 4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.941 -3.047 3.521 1.00 0.00 H new ATOM 700 N HIS A 47 4.368 -6.900 2.042 1.00 0.00 N ATOM 701 CA HIS A 47 4.251 -8.348 1.907 1.00 0.00 C ATOM 702 C HIS A 47 3.889 -8.990 3.242 1.00 0.00 C ATOM 703 O HIS A 47 4.176 -8.456 4.314 1.00 0.00 O ATOM 704 CB HIS A 47 5.558 -8.941 1.380 1.00 0.00 C ATOM 705 CG HIS A 47 6.764 -8.523 2.165 1.00 0.00 C ATOM 706 ND1 HIS A 47 7.219 -7.293 2.501 1.00 0.00 N flip ATOM 707 CD2 HIS A 47 7.661 -9.422 2.700 1.00 0.00 C flip ATOM 708 CE1 HIS A 47 8.370 -7.470 3.228 1.00 0.00 C flip ATOM 709 NE2 HIS A 47 8.615 -8.764 3.334 1.00 0.00 N flip ATOM 0 H HIS A 47 4.746 -6.589 2.937 1.00 0.00 H new ATOM 0 HA HIS A 47 3.453 -8.558 1.194 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.485 -10.029 1.393 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.690 -8.642 0.340 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.594 -10.497 2.614 1.00 0.00 H new ATOM 0 HE1 HIS A 47 8.977 -6.680 3.645 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.406 -9.184 3.822 1.00 0.00 H new ATOM 718 N PRO A 48 3.242 -10.164 3.179 1.00 0.00 N ATOM 719 CA PRO A 48 2.827 -10.904 4.375 1.00 0.00 C ATOM 720 C PRO A 48 4.012 -11.486 5.137 1.00 0.00 C ATOM 721 O PRO A 48 4.570 -12.512 4.747 1.00 0.00 O ATOM 722 CB PRO A 48 1.950 -12.025 3.811 1.00 0.00 C ATOM 723 CG PRO A 48 2.432 -12.217 2.414 1.00 0.00 C ATOM 724 CD PRO A 48 2.867 -10.859 1.936 1.00 0.00 C ATOM 0 HA PRO A 48 2.315 -10.264 5.094 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.053 -12.940 4.395 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.895 -11.751 3.832 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.259 -12.926 2.381 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.642 -12.619 1.780 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.707 -10.926 1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.064 -10.341 1.413 1.00 0.00 H new ATOM 732 N ALA A 49 4.392 -10.826 6.226 1.00 0.00 N ATOM 733 CA ALA A 49 5.509 -11.280 7.044 1.00 0.00 C ATOM 734 C ALA A 49 5.054 -12.310 8.072 1.00 0.00 C ATOM 735 O ALA A 49 5.443 -12.252 9.239 1.00 0.00 O ATOM 736 CB ALA A 49 6.172 -10.098 7.736 1.00 0.00 C ATOM 0 H ALA A 49 3.942 -9.975 6.562 1.00 0.00 H new ATOM 0 HA ALA A 49 6.237 -11.757 6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.005 -10.452 8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.542 -9.398 6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.445 -9.596 8.374 1.00 0.00 H new ATOM 742 N THR A 50 4.227 -13.253 7.632 1.00 0.00 N ATOM 743 CA THR A 50 3.717 -14.295 8.515 1.00 0.00 C ATOM 744 C THR A 50 4.194 -15.673 8.072 1.00 0.00 C ATOM 745 O THR A 50 4.221 -16.615 8.863 1.00 0.00 O ATOM 746 CB THR A 50 2.177 -14.287 8.562 1.00 0.00 C ATOM 747 OG1 THR A 50 1.707 -15.360 9.386 1.00 0.00 O ATOM 748 CG2 THR A 50 1.593 -14.422 7.164 1.00 0.00 C ATOM 0 H THR A 50 3.896 -13.317 6.669 1.00 0.00 H new ATOM 0 HA THR A 50 4.105 -14.083 9.511 1.00 0.00 H new ATOM 0 HB THR A 50 1.853 -13.336 8.984 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.727 -15.347 9.412 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.505 -14.414 7.222 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.930 -13.589 6.547 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.926 -15.360 6.720 1.00 0.00 H new ATOM 756 N ALA A 51 4.571 -15.783 6.802 1.00 0.00 N ATOM 757 CA ALA A 51 5.050 -17.047 6.255 1.00 0.00 C ATOM 758 C ALA A 51 6.411 -17.416 6.835 1.00 0.00 C ATOM 759 O ALA A 51 7.349 -16.621 6.795 1.00 0.00 O ATOM 760 CB ALA A 51 5.125 -16.969 4.737 1.00 0.00 C ATOM 0 H ALA A 51 4.554 -15.013 6.133 1.00 0.00 H new ATOM 0 HA ALA A 51 4.342 -17.827 6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.484 -17.919 4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.134 -16.759 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.811 -16.173 4.447 1.00 0.00 H new ATOM 766 N GLU A 52 6.510 -18.626 7.376 1.00 0.00 N ATOM 767 CA GLU A 52 7.757 -19.099 7.966 1.00 0.00 C ATOM 768 C GLU A 52 8.692 -19.650 6.894 1.00 0.00 C ATOM 769 O GLU A 52 9.891 -19.810 7.124 1.00 0.00 O ATOM 770 CB GLU A 52 7.474 -20.177 9.015 1.00 0.00 C ATOM 771 CG GLU A 52 6.919 -21.464 8.430 1.00 0.00 C ATOM 772 CD GLU A 52 5.412 -21.428 8.264 1.00 0.00 C ATOM 773 OE1 GLU A 52 4.700 -21.761 9.234 1.00 0.00 O ATOM 774 OE2 GLU A 52 4.945 -21.066 7.164 1.00 0.00 O ATOM 0 H GLU A 52 5.742 -19.296 7.418 1.00 0.00 H new ATOM 0 HA GLU A 52 8.245 -18.252 8.448 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.396 -20.400 9.553 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.766 -19.785 9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.383 -21.648 7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.190 -22.299 9.077 1.00 0.00 H new ATOM 781 N ASP A 53 8.135 -19.938 5.723 1.00 0.00 N ATOM 782 CA ASP A 53 8.918 -20.471 4.614 1.00 0.00 C ATOM 783 C ASP A 53 8.504 -19.824 3.296 1.00 0.00 C ATOM 784 O ASP A 53 7.315 -19.706 2.999 1.00 0.00 O ATOM 785 CB ASP A 53 8.751 -21.989 4.527 1.00 0.00 C ATOM 786 CG ASP A 53 9.120 -22.534 3.161 1.00 0.00 C ATOM 787 OD1 ASP A 53 10.205 -22.179 2.653 1.00 0.00 O ATOM 788 OD2 ASP A 53 8.325 -23.316 2.601 1.00 0.00 O ATOM 0 H ASP A 53 7.144 -19.811 5.517 1.00 0.00 H new ATOM 0 HA ASP A 53 9.967 -20.239 4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.374 -22.464 5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.717 -22.252 4.753 1.00 0.00 H new ATOM 793 N GLN A 54 9.492 -19.407 2.511 1.00 0.00 N ATOM 794 CA GLN A 54 9.229 -18.771 1.226 1.00 0.00 C ATOM 795 C GLN A 54 9.994 -19.469 0.106 1.00 0.00 C ATOM 796 O GLN A 54 10.529 -18.819 -0.792 1.00 0.00 O ATOM 797 CB GLN A 54 9.614 -17.291 1.277 1.00 0.00 C ATOM 798 CG GLN A 54 8.898 -16.440 0.241 1.00 0.00 C ATOM 799 CD GLN A 54 9.091 -14.954 0.473 1.00 0.00 C ATOM 800 OE1 GLN A 54 8.157 -14.247 0.855 1.00 0.00 O ATOM 801 NE2 GLN A 54 10.306 -14.471 0.243 1.00 0.00 N ATOM 0 H GLN A 54 10.481 -19.498 2.742 1.00 0.00 H new ATOM 0 HA GLN A 54 8.162 -18.855 1.020 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.394 -16.901 2.271 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.690 -17.199 1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.264 -16.699 -0.753 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.833 -16.672 0.259 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.051 -15.093 -0.073 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.495 -13.478 0.382 1.00 0.00 H new ATOM 810 N ASP A 55 10.040 -20.795 0.166 1.00 0.00 N ATOM 811 CA ASP A 55 10.739 -21.582 -0.843 1.00 0.00 C ATOM 812 C ASP A 55 10.419 -21.074 -2.246 1.00 0.00 C ATOM 813 O ASP A 55 11.306 -20.633 -2.975 1.00 0.00 O ATOM 814 CB ASP A 55 10.359 -23.059 -0.722 1.00 0.00 C ATOM 815 CG ASP A 55 11.098 -23.757 0.402 1.00 0.00 C ATOM 816 OD1 ASP A 55 12.162 -23.250 0.818 1.00 0.00 O ATOM 817 OD2 ASP A 55 10.613 -24.809 0.867 1.00 0.00 O ATOM 0 H ASP A 55 9.602 -21.348 0.903 1.00 0.00 H new ATOM 0 HA ASP A 55 11.811 -21.476 -0.674 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.285 -23.142 -0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.574 -23.565 -1.663 1.00 0.00 H new ATOM 822 N SER A 56 9.144 -21.142 -2.617 1.00 0.00 N ATOM 823 CA SER A 56 8.707 -20.694 -3.934 1.00 0.00 C ATOM 824 C SER A 56 7.510 -19.755 -3.819 1.00 0.00 C ATOM 825 O SER A 56 7.492 -18.680 -4.417 1.00 0.00 O ATOM 826 CB SER A 56 8.345 -21.895 -4.810 1.00 0.00 C ATOM 827 OG SER A 56 9.492 -22.671 -5.111 1.00 0.00 O ATOM 0 H SER A 56 8.396 -21.503 -2.024 1.00 0.00 H new ATOM 0 HA SER A 56 9.530 -20.150 -4.397 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.608 -22.513 -4.298 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.883 -21.549 -5.735 1.00 0.00 H new ATOM 0 HG SER A 56 9.234 -23.433 -5.670 1.00 0.00 H new ATOM 833 N GLN A 57 6.512 -20.171 -3.045 1.00 0.00 N ATOM 834 CA GLN A 57 5.311 -19.368 -2.851 1.00 0.00 C ATOM 835 C GLN A 57 5.667 -17.905 -2.609 1.00 0.00 C ATOM 836 O GLN A 57 6.478 -17.589 -1.737 1.00 0.00 O ATOM 837 CB GLN A 57 4.494 -19.908 -1.676 1.00 0.00 C ATOM 838 CG GLN A 57 3.182 -19.173 -1.458 1.00 0.00 C ATOM 839 CD GLN A 57 2.660 -19.318 -0.042 1.00 0.00 C ATOM 840 OE1 GLN A 57 3.391 -19.724 0.863 1.00 0.00 O ATOM 841 NE2 GLN A 57 1.390 -18.986 0.158 1.00 0.00 N ATOM 0 H GLN A 57 6.512 -21.059 -2.543 1.00 0.00 H new ATOM 0 HA GLN A 57 4.712 -19.431 -3.760 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.285 -20.964 -1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.093 -19.842 -0.768 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.320 -18.116 -1.684 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.437 -19.553 -2.157 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.821 -18.654 -0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.984 -19.063 1.090 1.00 0.00 H new ATOM 850 N TYR A 58 5.056 -17.016 -3.384 1.00 0.00 N ATOM 851 CA TYR A 58 5.312 -15.586 -3.255 1.00 0.00 C ATOM 852 C TYR A 58 4.012 -14.791 -3.336 1.00 0.00 C ATOM 853 O TYR A 58 3.010 -15.269 -3.869 1.00 0.00 O ATOM 854 CB TYR A 58 6.277 -15.118 -4.346 1.00 0.00 C ATOM 855 CG TYR A 58 6.154 -13.647 -4.673 1.00 0.00 C ATOM 856 CD1 TYR A 58 5.100 -13.172 -5.443 1.00 0.00 C ATOM 857 CD2 TYR A 58 7.092 -12.732 -4.211 1.00 0.00 C ATOM 858 CE1 TYR A 58 4.984 -11.830 -5.745 1.00 0.00 C ATOM 859 CE2 TYR A 58 6.983 -11.387 -4.507 1.00 0.00 C ATOM 860 CZ TYR A 58 5.928 -10.941 -5.275 1.00 0.00 C ATOM 861 OH TYR A 58 5.815 -9.602 -5.572 1.00 0.00 O ATOM 0 H TYR A 58 4.380 -17.260 -4.108 1.00 0.00 H new ATOM 0 HA TYR A 58 5.765 -15.411 -2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.299 -15.327 -4.029 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.098 -15.699 -5.251 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.358 -13.865 -5.812 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.920 -13.078 -3.610 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.159 -11.478 -6.346 1.00 0.00 H new ATOM 0 HE2 TYR A 58 7.720 -10.689 -4.139 1.00 0.00 H new ATOM 0 HH TYR A 58 6.560 -9.113 -5.164 1.00 0.00 H new ATOM 871 N VAL A 59 4.036 -13.574 -2.802 1.00 0.00 N ATOM 872 CA VAL A 59 2.861 -12.711 -2.814 1.00 0.00 C ATOM 873 C VAL A 59 3.216 -11.293 -2.381 1.00 0.00 C ATOM 874 O VAL A 59 3.858 -11.091 -1.349 1.00 0.00 O ATOM 875 CB VAL A 59 1.754 -13.255 -1.892 1.00 0.00 C ATOM 876 CG1 VAL A 59 2.325 -13.616 -0.529 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.627 -12.243 -1.757 1.00 0.00 C ATOM 0 H VAL A 59 4.856 -13.164 -2.356 1.00 0.00 H new ATOM 0 HA VAL A 59 2.493 -12.694 -3.840 1.00 0.00 H new ATOM 0 HB VAL A 59 1.345 -14.161 -2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.529 -13.999 0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.094 -14.380 -0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.762 -12.729 -0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.146 -12.645 -1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.017 -11.318 -1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.201 -12.040 -2.739 1.00 0.00 H new ATOM 887 N CYS A 60 2.795 -10.315 -3.175 1.00 0.00 N ATOM 888 CA CYS A 60 3.070 -8.914 -2.874 1.00 0.00 C ATOM 889 C CYS A 60 2.164 -7.996 -3.687 1.00 0.00 C ATOM 890 O CYS A 60 1.610 -8.399 -4.710 1.00 0.00 O ATOM 891 CB CYS A 60 4.536 -8.587 -3.159 1.00 0.00 C ATOM 892 SG CYS A 60 5.215 -7.273 -2.119 1.00 0.00 S ATOM 0 H CYS A 60 2.262 -10.466 -4.032 1.00 0.00 H new ATOM 0 HA CYS A 60 2.869 -8.749 -1.816 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.132 -9.489 -3.021 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.636 -8.296 -4.205 1.00 0.00 H new ATOM 0 HG CYS A 60 4.286 -6.819 -1.332 1.00 0.00 H new ATOM 898 N PHE A 61 2.015 -6.759 -3.224 1.00 0.00 N ATOM 899 CA PHE A 61 1.173 -5.783 -3.907 1.00 0.00 C ATOM 900 C PHE A 61 1.702 -4.367 -3.697 1.00 0.00 C ATOM 901 O PHE A 61 2.187 -4.026 -2.617 1.00 0.00 O ATOM 902 CB PHE A 61 -0.269 -5.881 -3.404 1.00 0.00 C ATOM 903 CG PHE A 61 -0.496 -5.182 -2.095 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.185 -5.806 -0.898 1.00 0.00 C ATOM 905 CD2 PHE A 61 -1.021 -3.900 -2.061 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.393 -5.166 0.309 1.00 0.00 C ATOM 907 CE2 PHE A 61 -1.230 -3.254 -0.857 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.917 -3.888 0.330 1.00 0.00 C ATOM 0 H PHE A 61 2.466 -6.409 -2.379 1.00 0.00 H new ATOM 0 HA PHE A 61 1.194 -6.005 -4.974 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.937 -5.457 -4.154 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.537 -6.932 -3.297 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.225 -6.805 -0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.270 -3.400 -2.985 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.146 -5.664 1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.638 -2.254 -0.844 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.082 -3.386 1.272 1.00 0.00 H new ATOM 918 N THR A 62 1.605 -3.545 -4.737 1.00 0.00 N ATOM 919 CA THR A 62 2.074 -2.167 -4.669 1.00 0.00 C ATOM 920 C THR A 62 0.953 -1.225 -4.247 1.00 0.00 C ATOM 921 O THR A 62 0.005 -0.995 -4.999 1.00 0.00 O ATOM 922 CB THR A 62 2.641 -1.699 -6.022 1.00 0.00 C ATOM 923 OG1 THR A 62 3.692 -2.576 -6.443 1.00 0.00 O ATOM 924 CG2 THR A 62 3.170 -0.276 -5.924 1.00 0.00 C ATOM 0 H THR A 62 1.205 -3.810 -5.637 1.00 0.00 H new ATOM 0 HA THR A 62 2.868 -2.140 -3.922 1.00 0.00 H new ATOM 0 HB THR A 62 1.835 -1.721 -6.755 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.046 -2.272 -7.305 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.565 0.033 -6.892 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.361 0.394 -5.632 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.963 -0.233 -5.178 1.00 0.00 H new ATOM 932 N LEU A 63 1.066 -0.681 -3.040 1.00 0.00 N ATOM 933 CA LEU A 63 0.061 0.239 -2.518 1.00 0.00 C ATOM 934 C LEU A 63 0.296 1.654 -3.036 1.00 0.00 C ATOM 935 O LEU A 63 1.257 2.318 -2.646 1.00 0.00 O ATOM 936 CB LEU A 63 0.083 0.233 -0.988 1.00 0.00 C ATOM 937 CG LEU A 63 -1.252 0.515 -0.297 1.00 0.00 C ATOM 938 CD1 LEU A 63 -1.069 0.579 1.211 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.861 1.808 -0.818 1.00 0.00 C ATOM 0 H LEU A 63 1.843 -0.861 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.917 -0.096 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.444 -0.739 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.807 0.975 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.937 -0.302 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.029 0.780 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.679 -0.373 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.367 1.376 1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.810 1.992 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.180 2.636 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.030 1.724 -1.892 1.00 0.00 H new ATOM 951 N VAL A 64 -0.590 2.111 -3.916 1.00 0.00 N ATOM 952 CA VAL A 64 -0.481 3.449 -4.485 1.00 0.00 C ATOM 953 C VAL A 64 -1.389 4.432 -3.755 1.00 0.00 C ATOM 954 O VAL A 64 -2.610 4.272 -3.740 1.00 0.00 O ATOM 955 CB VAL A 64 -0.838 3.452 -5.983 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.681 4.847 -6.567 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.022 2.449 -6.738 1.00 0.00 C ATOM 0 H VAL A 64 -1.391 1.574 -4.250 1.00 0.00 H new ATOM 0 HA VAL A 64 0.557 3.761 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.881 3.155 -6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.938 4.829 -7.626 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.344 5.537 -6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.351 5.177 -6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.244 2.465 -7.795 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.073 2.713 -6.624 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.147 1.450 -6.336 1.00 0.00 H new ATOM 967 N LEU A 65 -0.786 5.450 -3.152 1.00 0.00 N ATOM 968 CA LEU A 65 -1.540 6.461 -2.419 1.00 0.00 C ATOM 969 C LEU A 65 -1.538 7.790 -3.168 1.00 0.00 C ATOM 970 O LEU A 65 -0.563 8.540 -3.118 1.00 0.00 O ATOM 971 CB LEU A 65 -0.951 6.651 -1.020 1.00 0.00 C ATOM 972 CG LEU A 65 -1.359 5.612 0.026 1.00 0.00 C ATOM 973 CD1 LEU A 65 -0.288 5.485 1.098 1.00 0.00 C ATOM 974 CD2 LEU A 65 -2.698 5.979 0.648 1.00 0.00 C ATOM 0 H LEU A 65 0.223 5.598 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.570 6.116 -2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.136 6.648 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.241 7.637 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.464 4.647 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.596 4.742 1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.651 5.175 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.151 6.447 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.972 5.229 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.621 6.954 1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.462 6.018 -0.129 1.00 0.00 H new ATOM 986 N GLN A 66 -2.637 8.075 -3.860 1.00 0.00 N ATOM 987 CA GLN A 66 -2.762 9.314 -4.618 1.00 0.00 C ATOM 988 C GLN A 66 -3.356 10.422 -3.755 1.00 0.00 C ATOM 989 O GLN A 66 -4.570 10.487 -3.558 1.00 0.00 O ATOM 990 CB GLN A 66 -3.632 9.094 -5.856 1.00 0.00 C ATOM 991 CG GLN A 66 -3.497 10.193 -6.898 1.00 0.00 C ATOM 992 CD GLN A 66 -4.743 10.349 -7.747 1.00 0.00 C ATOM 993 OE1 GLN A 66 -5.697 11.021 -7.352 1.00 0.00 O ATOM 994 NE2 GLN A 66 -4.743 9.727 -8.920 1.00 0.00 N ATOM 0 H GLN A 66 -3.453 7.465 -3.911 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.764 9.619 -4.934 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.367 8.139 -6.311 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.675 9.022 -5.549 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.282 11.138 -6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.647 9.973 -7.544 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.931 9.181 -9.208 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.555 9.795 -9.534 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.493 11.293 -3.241 1.00 0.00 N ATOM 1004 CA VAL A 67 -2.933 12.400 -2.400 1.00 0.00 C ATOM 1005 C VAL A 67 -3.337 13.604 -3.242 1.00 0.00 C ATOM 1006 O VAL A 67 -2.504 14.273 -3.854 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.831 12.825 -1.411 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -2.389 13.784 -0.370 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.213 11.605 -0.746 1.00 0.00 C ATOM 0 H VAL A 67 -1.485 11.253 -3.392 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.798 12.047 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.049 13.343 -1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.596 14.073 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.780 14.672 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.191 13.294 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.437 11.924 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.983 11.057 -0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.776 10.958 -1.507 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.647 13.890 -3.276 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.193 15.016 -4.039 1.00 0.00 C ATOM 1021 C PRO A 68 -4.814 16.364 -3.434 1.00 0.00 C ATOM 1022 O PRO A 68 -4.051 16.430 -2.471 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.706 14.800 -3.959 1.00 0.00 C ATOM 1024 CG PRO A 68 -6.910 14.014 -2.711 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.697 13.136 -2.571 1.00 0.00 C ATOM 0 HA PRO A 68 -4.807 15.043 -5.058 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.240 15.749 -3.921 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.076 14.261 -4.831 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.017 14.672 -1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.820 13.416 -2.771 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.439 12.971 -1.525 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.857 12.155 -3.019 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.353 17.436 -4.006 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.074 18.782 -3.521 1.00 0.00 C ATOM 1035 C ALA A 69 -5.763 19.038 -2.185 1.00 0.00 C ATOM 1036 O ALA A 69 -5.193 19.664 -1.292 1.00 0.00 O ATOM 1037 CB ALA A 69 -5.511 19.815 -4.549 1.00 0.00 C ATOM 0 H ALA A 69 -5.985 17.398 -4.806 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.998 18.870 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.297 20.815 -4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.969 19.653 -5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.581 19.717 -4.731 1.00 0.00 H new ATOM 1043 N GLU A 70 -6.993 18.550 -2.055 1.00 0.00 N ATOM 1044 CA GLU A 70 -7.760 18.729 -0.828 1.00 0.00 C ATOM 1045 C GLU A 70 -6.976 18.225 0.381 1.00 0.00 C ATOM 1046 O GLU A 70 -6.871 18.913 1.397 1.00 0.00 O ATOM 1047 CB GLU A 70 -9.098 17.994 -0.925 1.00 0.00 C ATOM 1048 CG GLU A 70 -10.151 18.748 -1.719 1.00 0.00 C ATOM 1049 CD GLU A 70 -10.088 18.448 -3.204 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -10.576 17.374 -3.613 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -9.551 19.287 -3.957 1.00 0.00 O ATOM 0 H GLU A 70 -7.479 18.028 -2.784 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.948 19.795 -0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.935 17.020 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.476 17.811 0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.140 18.489 -1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.021 19.819 -1.563 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.430 17.020 0.264 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.659 16.421 1.347 1.00 0.00 C ATOM 1060 C TYR A 71 -4.964 17.495 2.179 1.00 0.00 C ATOM 1061 O TYR A 71 -4.451 18.485 1.657 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.623 15.446 0.785 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.760 14.802 1.847 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -2.861 15.555 2.591 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -3.844 13.439 2.106 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -2.070 14.971 3.561 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -3.058 12.846 3.075 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.173 13.616 3.799 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.388 13.030 4.766 1.00 0.00 O ATOM 0 H TYR A 71 -6.507 16.438 -0.570 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.348 15.876 1.992 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.137 14.666 0.224 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.982 15.976 0.080 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.779 16.616 2.408 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.536 12.833 1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.375 15.571 4.130 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.136 11.786 3.264 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.857 13.052 5.626 1.00 0.00 H new ATOM 1079 N PRO A 72 -4.946 17.295 3.505 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.554 16.121 4.137 1.00 0.00 C ATOM 1081 C PRO A 72 -7.077 16.146 4.062 1.00 0.00 C ATOM 1082 O PRO A 72 -7.730 15.104 4.136 1.00 0.00 O ATOM 1083 CB PRO A 72 -5.088 16.219 5.591 1.00 0.00 C ATOM 1084 CG PRO A 72 -4.824 17.669 5.807 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.331 18.201 4.490 1.00 0.00 C ATOM 0 HA PRO A 72 -5.261 15.195 3.643 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.850 15.849 6.277 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.191 15.624 5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.729 18.188 6.123 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.081 17.818 6.591 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.640 19.235 4.333 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.243 18.181 4.430 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.638 17.342 3.915 1.00 0.00 N ATOM 1094 CA HIS A 73 -9.086 17.502 3.830 1.00 0.00 C ATOM 1095 C HIS A 73 -9.727 16.295 3.152 1.00 0.00 C ATOM 1096 O HIS A 73 -10.800 15.846 3.551 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.434 18.778 3.062 1.00 0.00 C ATOM 1098 CG HIS A 73 -9.027 20.033 3.770 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -8.103 20.244 4.737 1.00 0.00 N flip ATOM 1100 CD2 HIS A 73 -9.594 21.262 3.509 1.00 0.00 C flip ATOM 1101 CE1 HIS A 73 -8.128 21.584 5.037 1.00 0.00 C flip ATOM 1102 NE2 HIS A 73 -9.035 22.176 4.282 1.00 0.00 N flip ATOM 0 H HIS A 73 -7.113 18.214 3.852 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.479 17.578 4.844 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -8.950 18.748 2.086 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.509 18.803 2.884 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -10.374 21.449 2.785 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.506 22.074 5.772 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -9.265 23.170 4.294 1.00 0.00 H new ATOM 1111 N GLU A 74 -9.061 15.776 2.125 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.568 14.622 1.391 1.00 0.00 C ATOM 1113 C GLU A 74 -8.594 13.451 1.481 1.00 0.00 C ATOM 1114 O GLU A 74 -7.380 13.641 1.537 1.00 0.00 O ATOM 1115 CB GLU A 74 -9.810 14.988 -0.075 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.581 13.930 -0.846 1.00 0.00 C ATOM 1117 CD GLU A 74 -10.670 14.239 -2.328 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -11.272 15.275 -2.683 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -10.140 13.445 -3.133 1.00 0.00 O ATOM 0 H GLU A 74 -8.170 16.136 1.783 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.513 14.322 1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.357 15.930 -0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.849 15.154 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.099 12.962 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.587 13.847 -0.435 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.138 12.237 1.494 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.319 11.034 1.576 1.00 0.00 C ATOM 1128 C VAL A 75 -7.800 10.628 0.201 1.00 0.00 C ATOM 1129 O VAL A 75 -8.480 10.775 -0.815 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.107 9.858 2.182 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -9.634 10.224 3.562 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.245 9.448 1.260 1.00 0.00 C ATOM 0 H VAL A 75 -10.142 12.062 1.449 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.476 11.269 2.225 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.433 9.008 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.188 9.381 3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.798 10.465 4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.294 11.088 3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.791 8.616 1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.921 10.291 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.840 9.143 0.295 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.565 10.104 0.165 1.00 0.00 N ATOM 1143 CA PRO A 76 -5.927 9.664 -1.079 1.00 0.00 C ATOM 1144 C PRO A 76 -6.581 8.413 -1.655 1.00 0.00 C ATOM 1145 O PRO A 76 -7.010 7.529 -0.914 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.487 9.368 -0.654 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.579 9.052 0.799 1.00 0.00 C ATOM 1148 CD PRO A 76 -5.698 9.900 1.338 1.00 0.00 C ATOM 0 HA PRO A 76 -6.008 10.414 -1.866 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.072 8.531 -1.216 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.837 10.225 -0.833 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.782 7.993 0.956 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.641 9.275 1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.228 9.399 2.148 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.330 10.846 1.736 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.653 8.345 -2.981 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.255 7.201 -3.655 1.00 0.00 C ATOM 1158 C GLN A 77 -6.471 5.925 -3.367 1.00 0.00 C ATOM 1159 O GLN A 77 -5.303 5.805 -3.738 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.317 7.446 -5.164 1.00 0.00 C ATOM 1161 CG GLN A 77 -8.546 8.225 -5.603 1.00 0.00 C ATOM 1162 CD GLN A 77 -8.705 9.535 -4.856 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -7.832 10.401 -4.906 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -9.824 9.686 -4.158 1.00 0.00 N ATOM 0 H GLN A 77 -6.302 9.068 -3.609 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.268 7.077 -3.272 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.424 7.989 -5.473 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.301 6.486 -5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -8.481 8.427 -6.672 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.434 7.613 -5.448 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.521 8.942 -4.145 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.987 10.546 -3.635 1.00 0.00 H new ATOM 1173 N ILE A 78 -7.121 4.975 -2.703 1.00 0.00 N ATOM 1174 CA ILE A 78 -6.484 3.707 -2.366 1.00 0.00 C ATOM 1175 C ILE A 78 -6.636 2.698 -3.499 1.00 0.00 C ATOM 1176 O ILE A 78 -7.737 2.222 -3.776 1.00 0.00 O ATOM 1177 CB ILE A 78 -7.073 3.107 -1.076 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -7.120 4.164 0.029 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -6.256 1.904 -0.631 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -5.756 4.543 0.562 1.00 0.00 C ATOM 0 H ILE A 78 -8.087 5.059 -2.388 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.426 3.917 -2.209 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.091 2.775 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.612 5.058 -0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.732 3.792 0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.685 1.491 0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.269 1.146 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.228 2.212 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.867 5.296 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.269 3.660 0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.148 4.946 -0.248 1.00 0.00 H new ATOM 1192 N SER A 79 -5.523 2.374 -4.149 1.00 0.00 N ATOM 1193 CA SER A 79 -5.532 1.422 -5.253 1.00 0.00 C ATOM 1194 C SER A 79 -4.386 0.424 -5.119 1.00 0.00 C ATOM 1195 O SER A 79 -3.544 0.545 -4.229 1.00 0.00 O ATOM 1196 CB SER A 79 -5.429 2.158 -6.590 1.00 0.00 C ATOM 1197 OG SER A 79 -6.099 1.447 -7.617 1.00 0.00 O ATOM 0 H SER A 79 -4.603 2.757 -3.930 1.00 0.00 H new ATOM 0 HA SER A 79 -6.474 0.874 -5.220 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.859 3.155 -6.494 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.380 2.287 -6.858 1.00 0.00 H new ATOM 0 HG SER A 79 -6.020 1.939 -8.461 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.361 -0.562 -6.010 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.318 -1.580 -5.993 1.00 0.00 C ATOM 1205 C ILE A 80 -2.883 -1.945 -7.408 1.00 0.00 C ATOM 1206 O ILE A 80 -3.714 -2.232 -8.270 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.789 -2.855 -5.268 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -4.009 -2.570 -3.781 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.775 -3.974 -5.454 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.697 -3.699 -3.045 1.00 0.00 C ATOM 0 H ILE A 80 -5.051 -0.677 -6.752 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.471 -1.156 -5.453 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.737 -3.174 -5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.046 -2.374 -3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.605 -1.663 -3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.121 -4.869 -4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.663 -4.190 -6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.814 -3.666 -5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.820 -3.428 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.675 -3.881 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.092 -4.603 -3.117 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.574 -1.934 -7.640 1.00 0.00 N ATOM 1223 CA ARG A 81 -1.028 -2.264 -8.951 1.00 0.00 C ATOM 1224 C ARG A 81 -0.177 -3.529 -8.882 1.00 0.00 C ATOM 1225 O ARG A 81 0.631 -3.696 -7.969 1.00 0.00 O ATOM 1226 CB ARG A 81 -0.190 -1.101 -9.486 1.00 0.00 C ATOM 1227 CG ARG A 81 -0.991 -0.097 -10.299 1.00 0.00 C ATOM 1228 CD ARG A 81 -1.999 0.643 -9.433 1.00 0.00 C ATOM 1229 NE ARG A 81 -3.113 1.167 -10.218 1.00 0.00 N ATOM 1230 CZ ARG A 81 -3.047 2.285 -10.933 1.00 0.00 C ATOM 1231 NH1 ARG A 81 -1.925 2.991 -10.963 1.00 0.00 N ATOM 1232 NH2 ARG A 81 -4.104 2.697 -11.622 1.00 0.00 N ATOM 0 H ARG A 81 -0.872 -1.700 -6.937 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.862 -2.444 -9.630 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.278 -0.586 -8.647 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.614 -1.498 -10.105 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.314 0.619 -10.764 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.512 -0.613 -11.106 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.381 -0.030 -8.666 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.501 1.464 -8.918 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.990 0.646 -10.217 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.110 2.676 -10.436 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.877 3.849 -11.513 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.968 2.155 -11.603 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.052 3.555 -12.171 1.00 0.00 H new ATOM 1246 N ASN A 82 -0.365 -4.416 -9.854 1.00 0.00 N ATOM 1247 CA ASN A 82 0.385 -5.666 -9.903 1.00 0.00 C ATOM 1248 C ASN A 82 0.097 -6.521 -8.673 1.00 0.00 C ATOM 1249 O ASN A 82 1.002 -7.055 -8.031 1.00 0.00 O ATOM 1250 CB ASN A 82 1.885 -5.382 -10.000 1.00 0.00 C ATOM 1251 CG ASN A 82 2.658 -6.548 -10.584 1.00 0.00 C ATOM 1252 OD1 ASN A 82 3.584 -7.067 -9.961 1.00 0.00 O ATOM 1253 ND2 ASN A 82 2.279 -6.966 -11.786 1.00 0.00 N ATOM 0 H ASN A 82 -1.030 -4.292 -10.618 1.00 0.00 H new ATOM 0 HA ASN A 82 0.068 -6.216 -10.789 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.045 -4.498 -10.617 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.273 -5.153 -9.008 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.761 -7.748 -12.230 1.00 0.00 H new ATOM 0 HD22 ASN A 82 1.506 -6.505 -12.266 1.00 0.00 H new ATOM 1260 N PRO A 83 -1.194 -6.657 -8.335 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.632 -7.447 -7.181 1.00 0.00 C ATOM 1262 C PRO A 83 -1.429 -8.944 -7.393 1.00 0.00 C ATOM 1263 O PRO A 83 -2.358 -9.658 -7.772 1.00 0.00 O ATOM 1264 CB PRO A 83 -3.124 -7.120 -7.072 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.526 -6.724 -8.451 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.326 -6.049 -9.055 1.00 0.00 C ATOM 0 HA PRO A 83 -1.063 -7.207 -6.283 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.694 -7.982 -6.725 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.302 -6.313 -6.361 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.820 -7.595 -9.037 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.383 -6.051 -8.429 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.262 -6.228 -10.128 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.359 -4.969 -8.913 1.00 0.00 H new ATOM 1274 N ARG A 84 -0.210 -9.412 -7.145 1.00 0.00 N ATOM 1275 CA ARG A 84 0.114 -10.824 -7.309 1.00 0.00 C ATOM 1276 C ARG A 84 0.100 -11.545 -5.965 1.00 0.00 C ATOM 1277 O ARG A 84 0.489 -10.981 -4.943 1.00 0.00 O ATOM 1278 CB ARG A 84 1.484 -10.981 -7.971 1.00 0.00 C ATOM 1279 CG ARG A 84 1.616 -12.243 -8.807 1.00 0.00 C ATOM 1280 CD ARG A 84 2.030 -13.434 -7.957 1.00 0.00 C ATOM 1281 NE ARG A 84 1.574 -14.698 -8.529 1.00 0.00 N ATOM 1282 CZ ARG A 84 2.061 -15.882 -8.175 1.00 0.00 C ATOM 1283 NH1 ARG A 84 3.014 -15.964 -7.256 1.00 0.00 N ATOM 1284 NH2 ARG A 84 1.595 -16.989 -8.740 1.00 0.00 N ATOM 0 H ARG A 84 0.569 -8.834 -6.830 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.645 -11.273 -7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.673 -10.114 -8.604 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.253 -10.985 -7.198 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.666 -12.457 -9.297 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.352 -12.083 -9.595 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.116 -13.450 -7.860 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.622 -13.322 -6.953 1.00 0.00 H new ATOM 0 HE ARG A 84 0.842 -14.670 -9.239 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.375 -15.116 -6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 84 3.386 -16.875 -6.987 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.862 -16.931 -9.447 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.970 -17.898 -8.467 1.00 0.00 H new ATOM 1298 N GLY A 85 -0.351 -12.796 -5.974 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.407 -13.573 -4.750 1.00 0.00 C ATOM 1300 C GLY A 85 -1.748 -13.460 -4.053 1.00 0.00 C ATOM 1301 O GLY A 85 -2.303 -14.458 -3.591 1.00 0.00 O ATOM 0 H GLY A 85 -0.678 -13.285 -6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.207 -14.620 -4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.380 -13.238 -4.074 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.271 -12.241 -3.974 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.556 -12.000 -3.326 1.00 0.00 C ATOM 1307 C LEU A 86 -4.709 -12.264 -4.288 1.00 0.00 C ATOM 1308 O LEU A 86 -4.554 -12.154 -5.504 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.626 -10.562 -2.809 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.481 -10.120 -1.897 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.232 -8.626 -2.040 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -2.785 -10.475 -0.449 1.00 0.00 C ATOM 0 H LEU A 86 -1.825 -11.404 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.646 -12.687 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.661 -9.890 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.564 -10.437 -2.268 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.577 -10.649 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.414 -8.329 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.970 -8.398 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.134 -8.079 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.959 -10.153 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.700 -9.973 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.913 -11.554 -0.358 1.00 0.00 H new ATOM 1324 N SER A 87 -5.867 -12.610 -3.735 1.00 0.00 N ATOM 1325 CA SER A 87 -7.047 -12.891 -4.545 1.00 0.00 C ATOM 1326 C SER A 87 -7.934 -11.655 -4.660 1.00 0.00 C ATOM 1327 O SER A 87 -7.661 -10.622 -4.047 1.00 0.00 O ATOM 1328 CB SER A 87 -7.843 -14.049 -3.939 1.00 0.00 C ATOM 1329 OG SER A 87 -8.398 -13.686 -2.686 1.00 0.00 O ATOM 0 H SER A 87 -6.013 -12.703 -2.730 1.00 0.00 H new ATOM 0 HA SER A 87 -6.713 -13.172 -5.544 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.640 -14.343 -4.622 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.193 -14.915 -3.815 1.00 0.00 H new ATOM 0 HG SER A 87 -8.903 -14.442 -2.321 1.00 0.00 H new ATOM 1335 N ASP A 88 -8.996 -11.768 -5.450 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.924 -10.660 -5.646 1.00 0.00 C ATOM 1337 C ASP A 88 -10.445 -10.144 -4.308 1.00 0.00 C ATOM 1338 O ASP A 88 -10.524 -8.936 -4.087 1.00 0.00 O ATOM 1339 CB ASP A 88 -11.095 -11.098 -6.528 1.00 0.00 C ATOM 1340 CG ASP A 88 -10.797 -10.939 -8.006 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -10.159 -9.931 -8.377 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -11.202 -11.821 -8.790 1.00 0.00 O ATOM 0 H ASP A 88 -9.236 -12.615 -5.965 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.387 -9.852 -6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.334 -12.141 -6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.978 -10.511 -6.273 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.798 -11.068 -3.420 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.312 -10.705 -2.105 1.00 0.00 C ATOM 1349 C GLU A 89 -10.271 -9.922 -1.310 1.00 0.00 C ATOM 1350 O GLU A 89 -10.507 -8.780 -0.916 1.00 0.00 O ATOM 1351 CB GLU A 89 -11.724 -11.959 -1.330 1.00 0.00 C ATOM 1352 CG GLU A 89 -13.094 -12.491 -1.716 1.00 0.00 C ATOM 1353 CD GLU A 89 -13.490 -13.718 -0.918 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -12.707 -14.690 -0.899 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -14.582 -13.706 -0.313 1.00 0.00 O ATOM 0 H GLU A 89 -10.737 -12.072 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.187 -10.071 -2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.981 -12.739 -1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.718 -11.735 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.839 -11.709 -1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.098 -12.736 -2.778 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.120 -10.545 -1.079 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.044 -9.907 -0.330 1.00 0.00 C ATOM 1364 C GLN A 90 -7.762 -8.508 -0.868 1.00 0.00 C ATOM 1365 O GLN A 90 -7.859 -7.521 -0.138 1.00 0.00 O ATOM 1366 CB GLN A 90 -6.774 -10.757 -0.398 1.00 0.00 C ATOM 1367 CG GLN A 90 -6.756 -11.904 0.600 1.00 0.00 C ATOM 1368 CD GLN A 90 -5.376 -12.507 0.773 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -4.617 -12.106 1.656 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -5.042 -13.475 -0.073 1.00 0.00 N ATOM 0 H GLN A 90 -8.909 -11.490 -1.399 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.360 -9.820 0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.670 -11.161 -1.405 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.909 -10.118 -0.220 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.115 -11.546 1.565 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.448 -12.679 0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.702 -13.776 -0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.125 -13.917 -0.006 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.412 -8.430 -2.147 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.117 -7.152 -2.782 1.00 0.00 C ATOM 1381 C ILE A 91 -8.149 -6.096 -2.398 1.00 0.00 C ATOM 1382 O ILE A 91 -7.798 -5.009 -1.937 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.079 -7.281 -4.316 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -5.993 -8.273 -4.739 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -6.839 -5.921 -4.956 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -6.259 -8.925 -6.078 1.00 0.00 C ATOM 0 H ILE A 91 -7.326 -9.237 -2.764 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.134 -6.843 -2.427 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.043 -7.657 -4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.035 -7.755 -4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.904 -9.048 -3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.815 -6.028 -6.040 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.643 -5.240 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.887 -5.519 -4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.449 -9.615 -6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.201 -9.472 -6.036 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.319 -8.158 -6.851 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.423 -6.425 -2.588 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.506 -5.505 -2.259 1.00 0.00 C ATOM 1400 C HIS A 92 -10.456 -5.111 -0.786 1.00 0.00 C ATOM 1401 O HIS A 92 -10.478 -3.928 -0.447 1.00 0.00 O ATOM 1402 CB HIS A 92 -11.859 -6.141 -2.583 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.007 -5.183 -2.496 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -14.236 -5.528 -1.976 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -13.106 -3.885 -2.865 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -15.043 -4.483 -2.030 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -14.382 -3.473 -2.566 1.00 0.00 N ATOM 0 H HIS A 92 -9.730 -7.321 -2.968 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.381 -4.605 -2.862 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.822 -6.561 -3.588 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.035 -6.970 -1.897 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.327 -3.285 -3.311 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -16.069 -4.459 -1.693 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -14.758 -2.539 -2.731 1.00 0.00 H new ATOM 1416 N THR A 93 -10.389 -6.112 0.088 1.00 0.00 N ATOM 1417 CA THR A 93 -10.337 -5.870 1.524 1.00 0.00 C ATOM 1418 C THR A 93 -9.251 -4.860 1.873 1.00 0.00 C ATOM 1419 O THR A 93 -9.524 -3.826 2.482 1.00 0.00 O ATOM 1420 CB THR A 93 -10.081 -7.174 2.304 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.080 -8.146 1.976 1.00 0.00 O ATOM 1422 CG2 THR A 93 -10.088 -6.917 3.803 1.00 0.00 C ATOM 0 H THR A 93 -10.370 -7.097 -0.175 1.00 0.00 H new ATOM 0 HA THR A 93 -11.308 -5.468 1.812 1.00 0.00 H new ATOM 0 HB THR A 93 -9.099 -7.554 2.021 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.909 -8.500 1.078 1.00 0.00 H new ATOM 0 HG21 THR A 93 -9.905 -7.852 4.333 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.307 -6.199 4.053 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.057 -6.516 4.099 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.018 -5.166 1.483 1.00 0.00 N ATOM 1431 CA ILE A 94 -6.890 -4.283 1.754 1.00 0.00 C ATOM 1432 C ILE A 94 -7.250 -2.829 1.468 1.00 0.00 C ATOM 1433 O ILE A 94 -6.777 -1.916 2.146 1.00 0.00 O ATOM 1434 CB ILE A 94 -5.658 -4.670 0.915 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.239 -6.110 1.218 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -4.509 -3.710 1.187 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.290 -6.691 0.194 1.00 0.00 C ATOM 0 H ILE A 94 -7.775 -6.018 0.978 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.649 -4.394 2.811 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.920 -4.602 -0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.766 -6.143 2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.130 -6.735 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.646 -3.997 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.812 -2.696 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.245 -3.749 2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.036 -7.714 0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.767 -6.690 -0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.382 -6.089 0.156 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.090 -2.620 0.460 1.00 0.00 N ATOM 1450 CA LEU A 95 -8.516 -1.276 0.085 1.00 0.00 C ATOM 1451 C LEU A 95 -9.544 -0.735 1.073 1.00 0.00 C ATOM 1452 O LEU A 95 -9.257 0.184 1.840 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.104 -1.282 -1.328 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.184 -1.798 -2.435 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -8.977 -2.067 -3.705 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.064 -0.804 -2.704 1.00 0.00 C ATOM 0 H LEU A 95 -8.490 -3.364 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.642 -0.625 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.008 -1.891 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.406 -0.265 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.738 -2.736 -2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.306 -2.434 -4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.743 -2.816 -3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.451 -1.144 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.419 -1.188 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.491 0.150 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.479 -0.661 -1.796 1.00 0.00 H new ATOM 1468 N GLN A 96 -10.741 -1.312 1.050 1.00 0.00 N ATOM 1469 CA GLN A 96 -11.810 -0.887 1.946 1.00 0.00 C ATOM 1470 C GLN A 96 -11.289 -0.703 3.367 1.00 0.00 C ATOM 1471 O GLN A 96 -11.803 0.119 4.126 1.00 0.00 O ATOM 1472 CB GLN A 96 -12.949 -1.909 1.936 1.00 0.00 C ATOM 1473 CG GLN A 96 -12.480 -3.344 2.117 1.00 0.00 C ATOM 1474 CD GLN A 96 -13.609 -4.285 2.488 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -14.289 -4.831 1.618 1.00 0.00 O ATOM 1476 NE2 GLN A 96 -13.817 -4.479 3.785 1.00 0.00 N ATOM 0 H GLN A 96 -10.995 -2.074 0.421 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.188 0.072 1.590 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -13.654 -1.663 2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.490 -1.828 0.993 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -12.013 -3.689 1.194 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -11.715 -3.377 2.893 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -13.230 -4.006 4.472 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -14.564 -5.101 4.094 1.00 0.00 H new ATOM 1485 N VAL A 97 -10.266 -1.474 3.722 1.00 0.00 N ATOM 1486 CA VAL A 97 -9.675 -1.396 5.052 1.00 0.00 C ATOM 1487 C VAL A 97 -8.850 -0.124 5.213 1.00 0.00 C ATOM 1488 O VAL A 97 -9.212 0.771 5.979 1.00 0.00 O ATOM 1489 CB VAL A 97 -8.778 -2.615 5.341 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -7.872 -2.342 6.531 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -9.627 -3.855 5.579 1.00 0.00 C ATOM 0 H VAL A 97 -9.829 -2.160 3.106 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.500 -1.384 5.764 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.148 -2.795 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.246 -3.214 6.720 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.239 -1.481 6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.480 -2.135 7.411 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.978 -4.707 5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.284 -3.688 6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -10.228 -4.060 4.693 1.00 0.00 H new ATOM 1501 N LEU A 98 -7.741 -0.048 4.486 1.00 0.00 N ATOM 1502 CA LEU A 98 -6.864 1.116 4.547 1.00 0.00 C ATOM 1503 C LEU A 98 -7.657 2.405 4.361 1.00 0.00 C ATOM 1504 O LEU A 98 -7.710 3.249 5.255 1.00 0.00 O ATOM 1505 CB LEU A 98 -5.774 1.015 3.478 1.00 0.00 C ATOM 1506 CG LEU A 98 -4.732 -0.084 3.685 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.078 -0.455 2.362 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -3.683 0.358 4.694 1.00 0.00 C ATOM 0 H LEU A 98 -7.428 -0.779 3.847 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.397 1.137 5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.254 0.856 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.257 1.973 3.423 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.236 -0.966 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.339 -1.239 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.838 -0.815 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.588 0.422 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.950 -0.437 4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.183 1.255 4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.164 0.573 5.648 1.00 0.00 H new ATOM 1520 N GLY A 99 -8.275 2.551 3.193 1.00 0.00 N ATOM 1521 CA GLY A 99 -9.059 3.739 2.911 1.00 0.00 C ATOM 1522 C GLY A 99 -9.827 4.228 4.123 1.00 0.00 C ATOM 1523 O GLY A 99 -9.767 5.408 4.470 1.00 0.00 O ATOM 0 H GLY A 99 -8.247 1.867 2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.398 4.531 2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.759 3.525 2.103 1.00 0.00 H new ATOM 1527 N HIS A 100 -10.552 3.320 4.768 1.00 0.00 N ATOM 1528 CA HIS A 100 -11.336 3.666 5.949 1.00 0.00 C ATOM 1529 C HIS A 100 -10.471 4.375 6.986 1.00 0.00 C ATOM 1530 O HIS A 100 -10.837 5.436 7.493 1.00 0.00 O ATOM 1531 CB HIS A 100 -11.958 2.410 6.559 1.00 0.00 C ATOM 1532 CG HIS A 100 -12.233 2.530 8.027 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -13.289 3.254 8.538 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -11.582 2.011 9.095 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -13.275 3.178 9.857 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -12.249 2.428 10.220 1.00 0.00 N ATOM 0 H HIS A 100 -10.613 2.340 4.493 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.132 4.344 5.641 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -12.890 2.187 6.040 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -11.290 1.565 6.391 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -10.702 1.386 9.067 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -13.982 3.649 10.525 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.994 2.197 11.180 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.323 3.782 7.299 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.407 4.358 8.276 1.00 0.00 C ATOM 1547 C VAL A 101 -8.022 5.783 7.895 1.00 0.00 C ATOM 1548 O VAL A 101 -7.838 6.639 8.760 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.128 3.511 8.412 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -6.170 4.145 9.409 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.473 2.088 8.823 1.00 0.00 C ATOM 0 H VAL A 101 -9.006 2.903 6.890 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.930 4.370 9.232 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.633 3.475 7.442 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.272 3.532 9.491 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.897 5.144 9.067 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.653 4.214 10.384 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.557 1.504 8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.992 2.102 9.781 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.117 1.637 8.068 1.00 0.00 H new ATOM 1561 N ALA A 102 -7.901 6.030 6.595 1.00 0.00 N ATOM 1562 CA ALA A 102 -7.540 7.352 6.099 1.00 0.00 C ATOM 1563 C ALA A 102 -8.450 8.426 6.685 1.00 0.00 C ATOM 1564 O ALA A 102 -7.988 9.488 7.102 1.00 0.00 O ATOM 1565 CB ALA A 102 -7.598 7.380 4.579 1.00 0.00 C ATOM 0 H ALA A 102 -8.048 5.332 5.866 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.519 7.565 6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.326 8.374 4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.901 6.646 4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.609 7.140 4.249 1.00 0.00 H new ATOM 1571 N LYS A 103 -9.748 8.143 6.713 1.00 0.00 N ATOM 1572 CA LYS A 103 -10.725 9.084 7.248 1.00 0.00 C ATOM 1573 C LYS A 103 -10.610 9.184 8.766 1.00 0.00 C ATOM 1574 O LYS A 103 -10.773 10.260 9.341 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.143 8.655 6.862 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.422 8.752 5.372 1.00 0.00 C ATOM 1577 CD LYS A 103 -13.629 7.918 4.975 1.00 0.00 C ATOM 1578 CE LYS A 103 -13.297 6.433 4.955 1.00 0.00 C ATOM 1579 NZ LYS A 103 -14.496 5.602 4.657 1.00 0.00 N ATOM 0 H LYS A 103 -10.148 7.269 6.371 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.519 10.065 6.819 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.304 7.627 7.187 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.860 9.276 7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.593 9.794 5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.547 8.416 4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.445 8.100 5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.979 8.227 3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -12.528 6.243 4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -12.883 6.140 5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -14.229 4.597 4.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.221 5.764 5.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -14.877 5.864 3.725 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.326 8.056 9.409 1.00 0.00 N ATOM 1594 CA ALA A 104 -10.184 8.018 10.859 1.00 0.00 C ATOM 1595 C ALA A 104 -9.067 8.945 11.326 1.00 0.00 C ATOM 1596 O ALA A 104 -9.037 9.362 12.483 1.00 0.00 O ATOM 1597 CB ALA A 104 -9.921 6.594 11.327 1.00 0.00 C ATOM 0 H ALA A 104 -10.190 7.156 8.948 1.00 0.00 H new ATOM 0 HA ALA A 104 -11.118 8.367 11.300 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.817 6.581 12.412 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.754 5.955 11.035 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.003 6.225 10.870 1.00 0.00 H new ATOM 1603 N GLY A 105 -8.150 9.264 10.418 1.00 0.00 N ATOM 1604 CA GLY A 105 -7.043 10.139 10.757 1.00 0.00 C ATOM 1605 C GLY A 105 -6.966 11.354 9.853 1.00 0.00 C ATOM 1606 O GLY A 105 -5.876 11.813 9.509 1.00 0.00 O ATOM 0 H GLY A 105 -8.154 8.932 9.454 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.146 10.466 11.792 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.109 9.581 10.691 1.00 0.00 H new ATOM 1610 N LEU A 106 -8.125 11.875 9.465 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.185 13.043 8.594 1.00 0.00 C ATOM 1612 C LEU A 106 -7.853 14.316 9.365 1.00 0.00 C ATOM 1613 O LEU A 106 -8.082 14.400 10.571 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.574 13.163 7.963 1.00 0.00 C ATOM 1615 CG LEU A 106 -9.744 12.520 6.586 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.216 12.286 6.284 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.108 13.388 5.510 1.00 0.00 C ATOM 0 H LEU A 106 -9.036 11.507 9.740 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.444 12.915 7.805 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.300 12.716 8.643 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.824 14.221 7.881 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.238 11.555 6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.317 11.828 5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.641 11.624 7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.746 13.238 6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.239 12.915 4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.585 14.368 5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.044 13.504 5.717 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.313 15.306 8.660 1.00 0.00 N ATOM 1630 CA GLY A 107 -6.961 16.562 9.295 1.00 0.00 C ATOM 1631 C GLY A 107 -5.472 16.681 9.558 1.00 0.00 C ATOM 1632 O GLY A 107 -4.913 17.777 9.520 1.00 0.00 O ATOM 0 H GLY A 107 -7.113 15.260 7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.282 17.389 8.661 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.502 16.654 10.237 1.00 0.00 H new ATOM 1636 N THR A 108 -4.828 15.550 9.827 1.00 0.00 N ATOM 1637 CA THR A 108 -3.396 15.532 10.100 1.00 0.00 C ATOM 1638 C THR A 108 -2.729 14.323 9.455 1.00 0.00 C ATOM 1639 O THR A 108 -3.395 13.481 8.855 1.00 0.00 O ATOM 1640 CB THR A 108 -3.113 15.514 11.614 1.00 0.00 C ATOM 1641 OG1 THR A 108 -3.751 14.383 12.218 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.608 16.793 12.273 1.00 0.00 C ATOM 0 H THR A 108 -5.275 14.634 9.862 1.00 0.00 H new ATOM 0 HA THR A 108 -2.981 16.444 9.671 1.00 0.00 H new ATOM 0 HB THR A 108 -2.035 15.443 11.759 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.565 14.378 13.180 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.397 16.757 13.342 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.100 17.650 11.832 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.683 16.890 12.118 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.408 14.243 9.584 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.651 13.135 9.016 1.00 0.00 C ATOM 1652 C ALA A 109 -1.400 11.817 9.180 1.00 0.00 C ATOM 1653 O ALA A 109 -1.802 11.454 10.285 1.00 0.00 O ATOM 1654 CB ALA A 109 0.723 13.048 9.664 1.00 0.00 C ATOM 0 H ALA A 109 -0.841 14.933 10.077 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.527 13.321 7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.278 12.216 9.230 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.267 13.977 9.490 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.610 12.889 10.736 1.00 0.00 H new ATOM 1660 N MET A 110 -1.585 11.105 8.073 1.00 0.00 N ATOM 1661 CA MET A 110 -2.286 9.827 8.095 1.00 0.00 C ATOM 1662 C MET A 110 -1.463 8.744 7.404 1.00 0.00 C ATOM 1663 O MET A 110 -1.459 7.587 7.829 1.00 0.00 O ATOM 1664 CB MET A 110 -3.651 9.957 7.416 1.00 0.00 C ATOM 1665 CG MET A 110 -3.608 10.731 6.108 1.00 0.00 C ATOM 1666 SD MET A 110 -5.056 10.432 5.076 1.00 0.00 S ATOM 1667 CE MET A 110 -6.072 11.844 5.503 1.00 0.00 C ATOM 0 H MET A 110 -1.259 11.392 7.150 1.00 0.00 H new ATOM 0 HA MET A 110 -2.432 9.539 9.136 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.050 8.960 7.226 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.342 10.452 8.099 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.534 11.797 6.323 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.710 10.454 5.556 1.00 0.00 H new ATOM 0 HE1 MET A 110 -7.043 11.499 5.859 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.582 12.421 6.287 1.00 0.00 H new ATOM 0 HE3 MET A 110 -6.211 12.472 4.623 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.768 9.125 6.338 1.00 0.00 N ATOM 1678 CA LEU A 111 0.058 8.185 5.588 1.00 0.00 C ATOM 1679 C LEU A 111 0.680 7.146 6.515 1.00 0.00 C ATOM 1680 O LEU A 111 0.528 5.942 6.306 1.00 0.00 O ATOM 1681 CB LEU A 111 1.158 8.934 4.832 1.00 0.00 C ATOM 1682 CG LEU A 111 0.689 10.047 3.894 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.874 10.865 3.403 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -0.083 9.465 2.720 1.00 0.00 C ATOM 0 H LEU A 111 -0.760 10.078 5.974 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.581 7.669 4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.843 9.366 5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.728 8.211 4.249 1.00 0.00 H new ATOM 0 HG LEU A 111 0.023 10.707 4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.522 11.652 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.385 11.313 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.566 10.217 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.409 10.272 2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.560 8.782 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.954 8.924 3.090 1.00 0.00 H new ATOM 1696 N TYR A 112 1.379 7.619 7.541 1.00 0.00 N ATOM 1697 CA TYR A 112 2.024 6.731 8.501 1.00 0.00 C ATOM 1698 C TYR A 112 1.049 5.670 9.002 1.00 0.00 C ATOM 1699 O TYR A 112 1.298 4.472 8.870 1.00 0.00 O ATOM 1700 CB TYR A 112 2.571 7.534 9.683 1.00 0.00 C ATOM 1701 CG TYR A 112 3.388 6.707 10.650 1.00 0.00 C ATOM 1702 CD1 TYR A 112 4.759 6.560 10.483 1.00 0.00 C ATOM 1703 CD2 TYR A 112 2.788 6.073 11.731 1.00 0.00 C ATOM 1704 CE1 TYR A 112 5.509 5.805 11.364 1.00 0.00 C ATOM 1705 CE2 TYR A 112 3.530 5.317 12.618 1.00 0.00 C ATOM 1706 CZ TYR A 112 4.890 5.186 12.430 1.00 0.00 C ATOM 1707 OH TYR A 112 5.633 4.433 13.310 1.00 0.00 O ATOM 0 H TYR A 112 1.513 8.612 7.729 1.00 0.00 H new ATOM 0 HA TYR A 112 2.850 6.231 7.996 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.188 8.349 9.304 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.738 7.988 10.220 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.247 7.044 9.650 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.723 6.173 11.880 1.00 0.00 H new ATOM 0 HE1 TYR A 112 6.574 5.700 11.219 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.048 4.832 13.454 1.00 0.00 H new ATOM 0 HH TYR A 112 5.046 4.067 14.004 1.00 0.00 H new ATOM 1717 N GLU A 113 -0.063 6.120 9.576 1.00 0.00 N ATOM 1718 CA GLU A 113 -1.076 5.209 10.096 1.00 0.00 C ATOM 1719 C GLU A 113 -1.522 4.221 9.023 1.00 0.00 C ATOM 1720 O GLU A 113 -1.499 3.007 9.233 1.00 0.00 O ATOM 1721 CB GLU A 113 -2.282 5.995 10.614 1.00 0.00 C ATOM 1722 CG GLU A 113 -3.075 5.260 11.681 1.00 0.00 C ATOM 1723 CD GLU A 113 -4.248 6.070 12.199 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -4.083 7.293 12.393 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -5.329 5.482 12.411 1.00 0.00 O ATOM 0 H GLU A 113 -0.285 7.109 9.692 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.635 4.648 10.920 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.938 6.946 11.020 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.941 6.225 9.777 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -3.441 4.318 11.272 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.415 5.011 12.512 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.927 4.748 7.873 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.379 3.913 6.765 1.00 0.00 C ATOM 1734 C LEU A 114 -1.398 2.774 6.507 1.00 0.00 C ATOM 1735 O LEU A 114 -1.760 1.599 6.590 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.545 4.756 5.500 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.804 5.620 5.429 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.618 6.753 4.432 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -5.012 4.773 5.057 1.00 0.00 C ATOM 0 H LEU A 114 -1.952 5.750 7.683 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.343 3.483 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.676 5.407 5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.538 4.088 4.639 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.979 6.054 6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.524 7.357 4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.779 7.376 4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.417 6.339 3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.899 5.405 5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.846 4.310 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.158 3.997 5.809 1.00 0.00 H new ATOM 1751 N ILE A 115 -0.156 3.128 6.195 1.00 0.00 N ATOM 1752 CA ILE A 115 0.877 2.135 5.928 1.00 0.00 C ATOM 1753 C ILE A 115 0.835 1.008 6.954 1.00 0.00 C ATOM 1754 O ILE A 115 0.644 -0.156 6.604 1.00 0.00 O ATOM 1755 CB ILE A 115 2.281 2.768 5.934 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.372 3.871 4.878 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.342 1.706 5.691 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.557 4.792 5.067 1.00 0.00 C ATOM 0 H ILE A 115 0.159 4.095 6.121 1.00 0.00 H new ATOM 0 HA ILE A 115 0.675 1.728 4.937 1.00 0.00 H new ATOM 0 HB ILE A 115 2.458 3.213 6.913 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.432 3.413 3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.456 4.461 4.901 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.329 2.169 5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.289 0.952 6.477 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.170 1.234 4.724 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.558 5.549 4.283 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.489 5.278 6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.479 4.214 5.014 1.00 0.00 H new ATOM 1770 N GLU A 116 1.012 1.364 8.223 1.00 0.00 N ATOM 1771 CA GLU A 116 0.993 0.381 9.300 1.00 0.00 C ATOM 1772 C GLU A 116 -0.001 -0.737 8.999 1.00 0.00 C ATOM 1773 O GLU A 116 0.347 -1.918 9.032 1.00 0.00 O ATOM 1774 CB GLU A 116 0.635 1.053 10.627 1.00 0.00 C ATOM 1775 CG GLU A 116 1.833 1.641 11.354 1.00 0.00 C ATOM 1776 CD GLU A 116 2.724 0.577 11.965 1.00 0.00 C ATOM 1777 OE1 GLU A 116 2.186 -0.365 12.584 1.00 0.00 O ATOM 1778 OE2 GLU A 116 3.960 0.687 11.824 1.00 0.00 O ATOM 0 H GLU A 116 1.170 2.324 8.530 1.00 0.00 H new ATOM 0 HA GLU A 116 1.989 -0.054 9.378 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.090 1.845 10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.150 0.323 11.275 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.417 2.242 10.657 1.00 0.00 H new ATOM 0 HG3 GLU A 116 1.484 2.312 12.139 1.00 0.00 H new ATOM 1785 N LYS A 117 -1.240 -0.357 8.707 1.00 0.00 N ATOM 1786 CA LYS A 117 -2.285 -1.325 8.399 1.00 0.00 C ATOM 1787 C LYS A 117 -1.857 -2.245 7.261 1.00 0.00 C ATOM 1788 O LYS A 117 -1.949 -3.467 7.370 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.583 -0.604 8.026 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.495 -0.339 9.211 1.00 0.00 C ATOM 1791 CD LYS A 117 -5.088 -1.628 9.757 1.00 0.00 C ATOM 1792 CE LYS A 117 -5.915 -1.374 11.008 1.00 0.00 C ATOM 1793 NZ LYS A 117 -6.538 -2.625 11.523 1.00 0.00 N ATOM 0 H LYS A 117 -1.545 0.616 8.677 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.456 -1.932 9.288 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.337 0.344 7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.122 -1.201 7.290 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.934 0.166 9.997 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.298 0.333 8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.713 -2.094 8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.287 -2.330 9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -5.281 -0.939 11.781 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.694 -0.644 10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -7.093 -2.411 12.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.163 -3.027 10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -5.794 -3.312 11.758 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.387 -1.650 6.169 1.00 0.00 N ATOM 1808 CA GLY A 118 -0.950 -2.432 5.027 1.00 0.00 C ATOM 1809 C GLY A 118 -0.318 -3.748 5.434 1.00 0.00 C ATOM 1810 O GLY A 118 -0.592 -4.788 4.835 1.00 0.00 O ATOM 0 H GLY A 118 -1.301 -0.640 6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -1.803 -2.628 4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -0.233 -1.852 4.446 1.00 0.00 H new ATOM 1814 N LYS A 119 0.532 -3.704 6.454 1.00 0.00 N ATOM 1815 CA LYS A 119 1.207 -4.902 6.941 1.00 0.00 C ATOM 1816 C LYS A 119 0.257 -5.763 7.767 1.00 0.00 C ATOM 1817 O LYS A 119 -0.069 -6.886 7.384 1.00 0.00 O ATOM 1818 CB LYS A 119 2.427 -4.519 7.781 1.00 0.00 C ATOM 1819 CG LYS A 119 3.496 -3.776 6.999 1.00 0.00 C ATOM 1820 CD LYS A 119 4.463 -3.054 7.922 1.00 0.00 C ATOM 1821 CE LYS A 119 3.923 -1.696 8.343 1.00 0.00 C ATOM 1822 NZ LYS A 119 4.437 -1.284 9.678 1.00 0.00 N ATOM 0 H LYS A 119 0.770 -2.851 6.960 1.00 0.00 H new ATOM 0 HA LYS A 119 1.536 -5.480 6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.102 -3.898 8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.863 -5.423 8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.046 -4.480 6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.024 -3.056 6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.647 -3.664 8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.421 -2.926 7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.201 -0.948 7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.834 -1.730 8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 4.087 -0.332 9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 4.107 -1.956 10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.477 -1.276 9.662 1.00 0.00 H new ATOM 1836 N GLU A 120 -0.185 -5.228 8.901 1.00 0.00 N ATOM 1837 CA GLU A 120 -1.098 -5.949 9.780 1.00 0.00 C ATOM 1838 C GLU A 120 -2.111 -6.753 8.970 1.00 0.00 C ATOM 1839 O GLU A 120 -2.224 -7.969 9.129 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.828 -4.973 10.705 1.00 0.00 C ATOM 1841 CG GLU A 120 -0.914 -4.285 11.706 1.00 0.00 C ATOM 1842 CD GLU A 120 -0.176 -5.268 12.593 1.00 0.00 C ATOM 1843 OE1 GLU A 120 0.809 -5.872 12.119 1.00 0.00 O ATOM 1844 OE2 GLU A 120 -0.583 -5.434 13.762 1.00 0.00 O ATOM 0 H GLU A 120 0.074 -4.299 9.232 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.510 -6.640 10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.326 -4.215 10.100 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.606 -5.511 11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.190 -3.671 11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.504 -3.612 12.328 1.00 0.00 H new ATOM 1851 N ILE A 121 -2.846 -6.065 8.103 1.00 0.00 N ATOM 1852 CA ILE A 121 -3.849 -6.715 7.268 1.00 0.00 C ATOM 1853 C ILE A 121 -3.331 -8.038 6.715 1.00 0.00 C ATOM 1854 O ILE A 121 -3.841 -9.107 7.054 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.275 -5.813 6.095 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -4.916 -4.526 6.619 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -5.237 -6.554 5.179 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -4.932 -3.403 5.606 1.00 0.00 C ATOM 0 H ILE A 121 -2.766 -5.058 7.960 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.714 -6.904 7.904 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.388 -5.547 5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.939 -4.739 6.929 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.376 -4.196 7.507 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.529 -5.903 4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.749 -7.445 4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.123 -6.846 5.742 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.401 -2.523 6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.910 -3.162 5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.497 -3.714 4.727 1.00 0.00 H new ATOM 1870 N LEU A 122 -2.314 -7.960 5.864 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.725 -9.152 5.265 1.00 0.00 C ATOM 1872 C LEU A 122 -1.597 -10.272 6.293 1.00 0.00 C ATOM 1873 O LEU A 122 -1.931 -11.423 6.015 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.351 -8.824 4.677 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.329 -7.770 3.569 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.102 -7.454 3.162 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -1.136 -8.242 2.368 1.00 0.00 C ATOM 0 H LEU A 122 -1.880 -7.084 5.573 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.384 -9.492 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.297 -8.486 5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.083 -9.744 4.285 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.786 -6.857 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.098 -6.702 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.650 -7.073 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.585 -8.360 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.109 -7.480 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.709 -9.168 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.169 -8.417 2.670 1.00 0.00 H new ATOM 1889 N SER A 123 -1.112 -9.925 7.481 1.00 0.00 N ATOM 1890 CA SER A 123 -0.939 -10.901 8.550 1.00 0.00 C ATOM 1891 C SER A 123 -2.266 -11.187 9.245 1.00 0.00 C ATOM 1892 O SER A 123 -3.261 -10.501 9.015 1.00 0.00 O ATOM 1893 CB SER A 123 0.085 -10.397 9.569 1.00 0.00 C ATOM 1894 OG SER A 123 -0.307 -9.147 10.110 1.00 0.00 O ATOM 0 H SER A 123 -0.832 -8.976 7.727 1.00 0.00 H new ATOM 0 HA SER A 123 -0.574 -11.827 8.106 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.193 -11.126 10.372 1.00 0.00 H new ATOM 0 HB3 SER A 123 1.060 -10.301 9.092 1.00 0.00 H new ATOM 0 HG SER A 123 -1.204 -8.918 9.788 1.00 0.00 H new ATOM 1900 N GLY A 124 -2.273 -12.208 10.097 1.00 0.00 N ATOM 1901 CA GLY A 124 -3.483 -12.569 10.813 1.00 0.00 C ATOM 1902 C GLY A 124 -3.812 -14.043 10.690 1.00 0.00 C ATOM 1903 O GLY A 124 -3.059 -14.823 10.105 1.00 0.00 O ATOM 0 H GLY A 124 -1.462 -12.791 10.304 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -3.368 -12.312 11.866 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.317 -11.981 10.430 1.00 0.00 H new ATOM 1907 N PRO A 125 -4.961 -14.446 11.251 1.00 0.00 N ATOM 1908 CA PRO A 125 -5.414 -15.840 11.216 1.00 0.00 C ATOM 1909 C PRO A 125 -5.830 -16.279 9.816 1.00 0.00 C ATOM 1910 O PRO A 125 -6.832 -15.806 9.279 1.00 0.00 O ATOM 1911 CB PRO A 125 -6.619 -15.846 12.159 1.00 0.00 C ATOM 1912 CG PRO A 125 -7.121 -14.443 12.141 1.00 0.00 C ATOM 1913 CD PRO A 125 -5.908 -13.572 11.964 1.00 0.00 C ATOM 0 HA PRO A 125 -4.624 -16.532 11.508 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -7.384 -16.545 11.820 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -6.333 -16.151 13.165 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -7.831 -14.293 11.328 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -7.642 -14.203 13.068 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -6.138 -12.675 11.389 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -5.507 -13.242 12.922 1.00 0.00 H new ATOM 1921 N SER A 126 -5.056 -17.187 9.231 1.00 0.00 N ATOM 1922 CA SER A 126 -5.343 -17.687 7.891 1.00 0.00 C ATOM 1923 C SER A 126 -4.682 -19.043 7.665 1.00 0.00 C ATOM 1924 O SER A 126 -3.514 -19.240 7.998 1.00 0.00 O ATOM 1925 CB SER A 126 -4.860 -16.689 6.837 1.00 0.00 C ATOM 1926 OG SER A 126 -5.628 -15.499 6.871 1.00 0.00 O ATOM 0 H SER A 126 -4.225 -17.592 9.663 1.00 0.00 H new ATOM 0 HA SER A 126 -6.422 -17.808 7.798 1.00 0.00 H new ATOM 0 HB2 SER A 126 -3.810 -16.453 7.010 1.00 0.00 H new ATOM 0 HB3 SER A 126 -4.927 -17.140 5.847 1.00 0.00 H new ATOM 0 HG SER A 126 -6.244 -15.529 7.633 1.00 0.00 H new ATOM 1932 N SER A 127 -5.439 -19.976 7.096 1.00 0.00 N ATOM 1933 CA SER A 127 -4.930 -21.315 6.827 1.00 0.00 C ATOM 1934 C SER A 127 -5.875 -22.082 5.908 1.00 0.00 C ATOM 1935 O SER A 127 -7.087 -21.869 5.927 1.00 0.00 O ATOM 1936 CB SER A 127 -4.740 -22.083 8.137 1.00 0.00 C ATOM 1937 OG SER A 127 -3.801 -23.134 7.981 1.00 0.00 O ATOM 0 H SER A 127 -6.408 -19.829 6.812 1.00 0.00 H new ATOM 0 HA SER A 127 -3.966 -21.217 6.327 1.00 0.00 H new ATOM 0 HB2 SER A 127 -4.401 -21.401 8.916 1.00 0.00 H new ATOM 0 HB3 SER A 127 -5.696 -22.491 8.465 1.00 0.00 H new ATOM 0 HG SER A 127 -3.696 -23.608 8.832 1.00 0.00 H new ATOM 1943 N GLY A 128 -5.311 -22.977 5.103 1.00 0.00 N ATOM 1944 CA GLY A 128 -6.118 -23.763 4.186 1.00 0.00 C ATOM 1945 C GLY A 128 -5.294 -24.384 3.076 1.00 0.00 C ATOM 1946 O GLY A 128 -5.747 -25.309 2.401 1.00 0.00 O ATOM 0 H GLY A 128 -4.310 -23.172 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -6.629 -24.551 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -6.890 -23.128 3.750 1.00 0.00 H new TER 1950 GLY A 128