USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 834 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+ -123:sc= 0.0545 (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= -0.0013 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 77:sc= 0.69 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 72:sc= 1.15 USER MOD Single : A 25 TYR OH : rot 179:sc= -0.268 USER MOD Single : A 27 CYS SG : rot 69:sc= 1.03 USER MOD Single : A 29 CYS SG : rot 107:sc= -0.0364 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -122:sc= -0.166 (180deg=-1.21) USER MOD Single : A 37 SER OG : rot -42:sc= 0.828 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -18:sc= 0.593 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -167:sc= -6.06! (180deg=-6.54!) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0068 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -4.04! C(o=-4!,f=-10!) USER MOD Single : A 70 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.7!) USER MOD Single : A 71 TYR OH : rot -6:sc= 0.0169 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -2.49! K(o=-2.5!,f=-0.4) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= -3.32 K(o=-3.3,f=-10!) USER MOD Single : A 104 SER OG : rot 39:sc= 0.686 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.842 40.909 1.001 1.00 0.00 N ATOM 2 CA GLY A 1 17.025 40.465 -0.368 1.00 0.00 C ATOM 3 C GLY A 1 16.380 39.119 -0.634 1.00 0.00 C ATOM 4 O GLY A 1 15.534 38.666 0.137 1.00 0.00 O ATOM 0 H1 GLY A 1 16.374 41.838 1.005 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.252 40.222 1.513 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.768 40.986 1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.603 41.207 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.091 40.403 -0.587 1.00 0.00 H new ATOM 8 N SER A 2 16.779 38.479 -1.728 1.00 0.00 N ATOM 9 CA SER A 2 16.229 37.179 -2.096 1.00 0.00 C ATOM 10 C SER A 2 14.752 37.296 -2.455 1.00 0.00 C ATOM 11 O SER A 2 13.932 36.482 -2.030 1.00 0.00 O ATOM 12 CB SER A 2 16.411 36.182 -0.950 1.00 0.00 C ATOM 13 OG SER A 2 16.526 34.858 -1.440 1.00 0.00 O ATOM 0 H SER A 2 17.481 38.839 -2.375 1.00 0.00 H new ATOM 0 HA SER A 2 16.769 36.818 -2.971 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.302 36.440 -0.377 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.563 36.248 -0.268 1.00 0.00 H new ATOM 0 HG SER A 2 16.643 34.240 -0.688 1.00 0.00 H new ATOM 19 N SER A 3 14.418 38.315 -3.241 1.00 0.00 N ATOM 20 CA SER A 3 13.039 38.542 -3.655 1.00 0.00 C ATOM 21 C SER A 3 12.670 37.645 -4.833 1.00 0.00 C ATOM 22 O SER A 3 11.584 37.069 -4.873 1.00 0.00 O ATOM 23 CB SER A 3 12.833 40.010 -4.034 1.00 0.00 C ATOM 24 OG SER A 3 13.739 40.407 -5.049 1.00 0.00 O ATOM 0 H SER A 3 15.084 38.997 -3.604 1.00 0.00 H new ATOM 0 HA SER A 3 12.389 38.296 -2.815 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.809 40.160 -4.377 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.970 40.639 -3.154 1.00 0.00 H new ATOM 0 HG SER A 3 13.586 41.348 -5.274 1.00 0.00 H new ATOM 30 N GLY A 4 13.584 37.532 -5.792 1.00 0.00 N ATOM 31 CA GLY A 4 13.338 36.704 -6.958 1.00 0.00 C ATOM 32 C GLY A 4 14.527 36.658 -7.897 1.00 0.00 C ATOM 33 O GLY A 4 14.808 37.627 -8.602 1.00 0.00 O ATOM 0 H GLY A 4 14.491 37.999 -5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.094 35.692 -6.636 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.470 37.086 -7.495 1.00 0.00 H new ATOM 37 N SER A 5 15.227 35.527 -7.908 1.00 0.00 N ATOM 38 CA SER A 5 16.395 35.360 -8.764 1.00 0.00 C ATOM 39 C SER A 5 16.021 34.647 -10.060 1.00 0.00 C ATOM 40 O SER A 5 15.089 33.843 -10.093 1.00 0.00 O ATOM 41 CB SER A 5 17.482 34.573 -8.031 1.00 0.00 C ATOM 42 OG SER A 5 18.493 34.144 -8.927 1.00 0.00 O ATOM 0 H SER A 5 15.005 34.714 -7.334 1.00 0.00 H new ATOM 0 HA SER A 5 16.778 36.350 -9.012 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.922 35.195 -7.251 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.039 33.708 -7.537 1.00 0.00 H new ATOM 0 HG SER A 5 19.177 33.645 -8.434 1.00 0.00 H new ATOM 48 N SER A 6 16.755 34.949 -11.127 1.00 0.00 N ATOM 49 CA SER A 6 16.499 34.341 -12.428 1.00 0.00 C ATOM 50 C SER A 6 16.210 32.851 -12.283 1.00 0.00 C ATOM 51 O SER A 6 16.555 32.234 -11.275 1.00 0.00 O ATOM 52 CB SER A 6 17.695 34.552 -13.357 1.00 0.00 C ATOM 53 OG SER A 6 17.317 34.414 -14.716 1.00 0.00 O ATOM 0 H SER A 6 17.531 35.611 -11.116 1.00 0.00 H new ATOM 0 HA SER A 6 15.622 34.823 -12.861 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.116 35.544 -13.193 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.476 33.830 -13.119 1.00 0.00 H new ATOM 0 HG SER A 6 18.099 34.555 -15.289 1.00 0.00 H new ATOM 59 N GLY A 7 15.573 32.275 -13.299 1.00 0.00 N ATOM 60 CA GLY A 7 15.248 30.862 -13.266 1.00 0.00 C ATOM 61 C GLY A 7 14.093 30.555 -12.334 1.00 0.00 C ATOM 62 O GLY A 7 12.931 30.610 -12.737 1.00 0.00 O ATOM 0 H GLY A 7 15.277 32.763 -14.144 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.998 30.526 -14.272 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.126 30.298 -12.950 1.00 0.00 H new ATOM 66 N MET A 8 14.411 30.228 -11.086 1.00 0.00 N ATOM 67 CA MET A 8 13.390 29.910 -10.095 1.00 0.00 C ATOM 68 C MET A 8 13.218 31.057 -9.105 1.00 0.00 C ATOM 69 O MET A 8 14.126 31.865 -8.913 1.00 0.00 O ATOM 70 CB MET A 8 13.756 28.626 -9.348 1.00 0.00 C ATOM 71 CG MET A 8 14.935 28.789 -8.402 1.00 0.00 C ATOM 72 SD MET A 8 16.524 28.594 -9.230 1.00 0.00 S ATOM 73 CE MET A 8 17.651 28.763 -7.848 1.00 0.00 C ATOM 0 H MET A 8 15.368 30.176 -10.737 1.00 0.00 H new ATOM 0 HA MET A 8 12.445 29.760 -10.618 1.00 0.00 H new ATOM 0 HB2 MET A 8 12.890 28.286 -8.781 1.00 0.00 H new ATOM 0 HB3 MET A 8 13.988 27.847 -10.074 1.00 0.00 H new ATOM 0 HG2 MET A 8 14.890 29.775 -7.939 1.00 0.00 H new ATOM 0 HG3 MET A 8 14.856 28.056 -7.600 1.00 0.00 H new ATOM 0 HE1 MET A 8 18.677 28.665 -8.202 1.00 0.00 H new ATOM 0 HE2 MET A 8 17.517 29.742 -7.387 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.445 27.985 -7.113 1.00 0.00 H new ATOM 83 N SER A 9 12.047 31.123 -8.480 1.00 0.00 N ATOM 84 CA SER A 9 11.754 32.174 -7.513 1.00 0.00 C ATOM 85 C SER A 9 11.959 31.672 -6.086 1.00 0.00 C ATOM 86 O SER A 9 12.299 30.510 -5.867 1.00 0.00 O ATOM 87 CB SER A 9 10.319 32.674 -7.688 1.00 0.00 C ATOM 88 OG SER A 9 10.152 33.313 -8.942 1.00 0.00 O ATOM 0 H SER A 9 11.285 30.461 -8.626 1.00 0.00 H new ATOM 0 HA SER A 9 12.443 33.000 -7.692 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.626 31.836 -7.608 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.072 33.370 -6.886 1.00 0.00 H new ATOM 0 HG SER A 9 9.226 33.622 -9.031 1.00 0.00 H new ATOM 94 N VAL A 10 11.748 32.558 -5.118 1.00 0.00 N ATOM 95 CA VAL A 10 11.907 32.206 -3.712 1.00 0.00 C ATOM 96 C VAL A 10 10.689 31.452 -3.193 1.00 0.00 C ATOM 97 O VAL A 10 10.812 30.542 -2.373 1.00 0.00 O ATOM 98 CB VAL A 10 12.131 33.458 -2.842 1.00 0.00 C ATOM 99 CG1 VAL A 10 11.053 34.496 -3.113 1.00 0.00 C ATOM 100 CG2 VAL A 10 12.163 33.082 -1.369 1.00 0.00 C ATOM 0 H VAL A 10 11.467 33.525 -5.282 1.00 0.00 H new ATOM 0 HA VAL A 10 12.785 31.563 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 10 13.095 33.894 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.227 35.373 -2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.083 34.786 -4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.075 34.074 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.322 33.978 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.215 32.622 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.975 32.377 -1.191 1.00 0.00 H new ATOM 110 N ASP A 11 9.512 31.835 -3.677 1.00 0.00 N ATOM 111 CA ASP A 11 8.270 31.193 -3.263 1.00 0.00 C ATOM 112 C ASP A 11 7.974 29.972 -4.129 1.00 0.00 C ATOM 113 O ASP A 11 7.081 29.183 -3.823 1.00 0.00 O ATOM 114 CB ASP A 11 7.107 32.183 -3.341 1.00 0.00 C ATOM 115 CG ASP A 11 7.142 33.016 -4.608 1.00 0.00 C ATOM 116 OD1 ASP A 11 6.701 32.511 -5.661 1.00 0.00 O ATOM 117 OD2 ASP A 11 7.610 34.172 -4.546 1.00 0.00 O ATOM 0 H ASP A 11 9.392 32.587 -4.356 1.00 0.00 H new ATOM 0 HA ASP A 11 8.387 30.864 -2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.165 31.637 -3.294 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.136 32.843 -2.474 1.00 0.00 H new ATOM 122 N ALA A 12 8.728 29.825 -5.213 1.00 0.00 N ATOM 123 CA ALA A 12 8.548 28.702 -6.123 1.00 0.00 C ATOM 124 C ALA A 12 8.900 27.383 -5.444 1.00 0.00 C ATOM 125 O ALA A 12 8.206 26.380 -5.614 1.00 0.00 O ATOM 126 CB ALA A 12 9.391 28.895 -7.374 1.00 0.00 C ATOM 0 H ALA A 12 9.470 30.471 -5.482 1.00 0.00 H new ATOM 0 HA ALA A 12 7.497 28.664 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.246 28.048 -8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.089 29.813 -7.878 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.443 28.963 -7.097 1.00 0.00 H new ATOM 132 N VAL A 13 9.984 27.389 -4.675 1.00 0.00 N ATOM 133 CA VAL A 13 10.428 26.193 -3.969 1.00 0.00 C ATOM 134 C VAL A 13 9.475 25.838 -2.834 1.00 0.00 C ATOM 135 O VAL A 13 9.373 24.678 -2.436 1.00 0.00 O ATOM 136 CB VAL A 13 11.847 26.375 -3.395 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.942 27.671 -2.606 1.00 0.00 C ATOM 138 CG2 VAL A 13 12.226 25.184 -2.529 1.00 0.00 C ATOM 0 H VAL A 13 10.571 28.209 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 13 10.439 25.382 -4.697 1.00 0.00 H new ATOM 0 HB VAL A 13 12.552 26.432 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.951 27.782 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.715 28.513 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.228 27.649 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.231 25.328 -2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.519 25.094 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.201 24.275 -3.130 1.00 0.00 H new ATOM 148 N GLU A 14 8.778 26.845 -2.317 1.00 0.00 N ATOM 149 CA GLU A 14 7.832 26.639 -1.226 1.00 0.00 C ATOM 150 C GLU A 14 6.608 25.865 -1.708 1.00 0.00 C ATOM 151 O GLU A 14 6.341 24.755 -1.246 1.00 0.00 O ATOM 152 CB GLU A 14 7.399 27.982 -0.635 1.00 0.00 C ATOM 153 CG GLU A 14 6.948 27.892 0.813 1.00 0.00 C ATOM 154 CD GLU A 14 8.112 27.824 1.784 1.00 0.00 C ATOM 155 OE1 GLU A 14 8.682 28.889 2.102 1.00 0.00 O ATOM 156 OE2 GLU A 14 8.451 26.706 2.224 1.00 0.00 O ATOM 0 H GLU A 14 8.850 27.811 -2.636 1.00 0.00 H new ATOM 0 HA GLU A 14 8.330 26.054 -0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.229 28.685 -0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.585 28.388 -1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.331 28.758 1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.322 27.009 0.940 1.00 0.00 H new ATOM 163 N ILE A 15 5.868 26.459 -2.637 1.00 0.00 N ATOM 164 CA ILE A 15 4.673 25.825 -3.182 1.00 0.00 C ATOM 165 C ILE A 15 4.946 24.375 -3.565 1.00 0.00 C ATOM 166 O ILE A 15 4.085 23.509 -3.409 1.00 0.00 O ATOM 167 CB ILE A 15 4.149 26.581 -4.417 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.648 26.336 -4.592 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.910 26.154 -5.663 1.00 0.00 C ATOM 170 CD1 ILE A 15 2.004 27.242 -5.618 1.00 0.00 C ATOM 0 H ILE A 15 6.074 27.378 -3.028 1.00 0.00 H new ATOM 0 HA ILE A 15 3.915 25.854 -2.399 1.00 0.00 H new ATOM 0 HB ILE A 15 4.309 27.649 -4.266 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.489 25.298 -4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.151 26.476 -3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.528 26.697 -6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.970 26.375 -5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.779 25.083 -5.821 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.941 27.013 -5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.132 28.282 -5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.475 27.085 -6.588 1.00 0.00 H new ATOM 182 N GLU A 16 6.149 24.118 -4.068 1.00 0.00 N ATOM 183 CA GLU A 16 6.536 22.771 -4.473 1.00 0.00 C ATOM 184 C GLU A 16 6.709 21.866 -3.256 1.00 0.00 C ATOM 185 O GLU A 16 6.311 20.700 -3.273 1.00 0.00 O ATOM 186 CB GLU A 16 7.833 22.810 -5.281 1.00 0.00 C ATOM 187 CG GLU A 16 7.776 23.743 -6.480 1.00 0.00 C ATOM 188 CD GLU A 16 7.268 23.053 -7.731 1.00 0.00 C ATOM 189 OE1 GLU A 16 7.528 21.842 -7.888 1.00 0.00 O ATOM 190 OE2 GLU A 16 6.611 23.725 -8.553 1.00 0.00 O ATOM 0 H GLU A 16 6.872 24.824 -4.205 1.00 0.00 H new ATOM 0 HA GLU A 16 5.740 22.364 -5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.649 23.121 -4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.067 21.803 -5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.129 24.589 -6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.771 24.146 -6.670 1.00 0.00 H new ATOM 197 N THR A 17 7.307 22.410 -2.201 1.00 0.00 N ATOM 198 CA THR A 17 7.534 21.653 -0.977 1.00 0.00 C ATOM 199 C THR A 17 6.217 21.301 -0.295 1.00 0.00 C ATOM 200 O THR A 17 6.058 20.205 0.246 1.00 0.00 O ATOM 201 CB THR A 17 8.419 22.435 0.012 1.00 0.00 C ATOM 202 OG1 THR A 17 9.749 22.548 -0.506 1.00 0.00 O ATOM 203 CG2 THR A 17 8.453 21.748 1.368 1.00 0.00 C ATOM 0 H THR A 17 7.643 23.373 -2.170 1.00 0.00 H new ATOM 0 HA THR A 17 8.047 20.735 -1.264 1.00 0.00 H new ATOM 0 HB THR A 17 7.993 23.430 0.139 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.772 23.238 -1.201 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.084 22.319 2.049 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.442 21.690 1.772 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.857 20.742 1.256 1.00 0.00 H new ATOM 211 N LEU A 18 5.274 22.237 -0.322 1.00 0.00 N ATOM 212 CA LEU A 18 3.968 22.025 0.294 1.00 0.00 C ATOM 213 C LEU A 18 3.262 20.824 -0.325 1.00 0.00 C ATOM 214 O LEU A 18 2.722 19.975 0.384 1.00 0.00 O ATOM 215 CB LEU A 18 3.103 23.276 0.140 1.00 0.00 C ATOM 216 CG LEU A 18 3.335 24.385 1.168 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.501 25.610 0.828 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.010 23.889 2.570 1.00 0.00 C ATOM 0 H LEU A 18 5.389 23.149 -0.763 1.00 0.00 H new ATOM 0 HA LEU A 18 4.121 21.824 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.271 23.689 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.056 22.977 0.188 1.00 0.00 H new ATOM 0 HG LEU A 18 4.387 24.667 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.679 26.389 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.781 25.978 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.444 25.342 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.181 24.691 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.966 23.579 2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.650 23.041 2.814 1.00 0.00 H new ATOM 230 N ARG A 19 3.272 20.758 -1.652 1.00 0.00 N ATOM 231 CA ARG A 19 2.633 19.660 -2.367 1.00 0.00 C ATOM 232 C ARG A 19 3.322 18.334 -2.057 1.00 0.00 C ATOM 233 O ARG A 19 2.670 17.297 -1.936 1.00 0.00 O ATOM 234 CB ARG A 19 2.661 19.920 -3.875 1.00 0.00 C ATOM 235 CG ARG A 19 1.701 21.009 -4.324 1.00 0.00 C ATOM 236 CD ARG A 19 1.925 21.385 -5.779 1.00 0.00 C ATOM 237 NE ARG A 19 1.134 22.548 -6.173 1.00 0.00 N ATOM 238 CZ ARG A 19 1.018 22.968 -7.427 1.00 0.00 C ATOM 239 NH1 ARG A 19 1.638 22.322 -8.405 1.00 0.00 N ATOM 240 NH2 ARG A 19 0.280 24.034 -7.706 1.00 0.00 N ATOM 0 H ARG A 19 3.716 21.452 -2.254 1.00 0.00 H new ATOM 0 HA ARG A 19 1.597 19.598 -2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.674 20.197 -4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.419 18.995 -4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.674 20.668 -4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.830 21.890 -3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.982 21.595 -5.940 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.667 20.539 -6.416 1.00 0.00 H new ATOM 0 HE ARG A 19 0.643 23.066 -5.444 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.205 21.501 -8.194 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.548 22.646 -9.368 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.200 24.533 -6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.192 24.355 -8.670 1.00 0.00 H new ATOM 254 N LYS A 20 4.644 18.377 -1.927 1.00 0.00 N ATOM 255 CA LYS A 20 5.422 17.180 -1.629 1.00 0.00 C ATOM 256 C LYS A 20 5.133 16.680 -0.217 1.00 0.00 C ATOM 257 O LYS A 20 4.911 15.488 -0.002 1.00 0.00 O ATOM 258 CB LYS A 20 6.918 17.469 -1.783 1.00 0.00 C ATOM 259 CG LYS A 20 7.411 17.372 -3.216 1.00 0.00 C ATOM 260 CD LYS A 20 8.872 16.958 -3.275 1.00 0.00 C ATOM 261 CE LYS A 20 9.797 18.164 -3.222 1.00 0.00 C ATOM 262 NZ LYS A 20 11.231 17.766 -3.233 1.00 0.00 N ATOM 0 H LYS A 20 5.199 19.228 -2.023 1.00 0.00 H new ATOM 0 HA LYS A 20 5.133 16.403 -2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.128 18.469 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.480 16.768 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.805 16.650 -3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.284 18.334 -3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.096 16.290 -2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.055 16.398 -4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.594 18.814 -4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.588 18.742 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.828 18.617 -3.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.431 17.166 -2.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.438 17.236 -4.104 1.00 0.00 H new ATOM 276 N THR A 21 5.134 17.599 0.743 1.00 0.00 N ATOM 277 CA THR A 21 4.872 17.252 2.134 1.00 0.00 C ATOM 278 C THR A 21 3.523 16.554 2.281 1.00 0.00 C ATOM 279 O THR A 21 3.410 15.536 2.963 1.00 0.00 O ATOM 280 CB THR A 21 4.893 18.498 3.038 1.00 0.00 C ATOM 281 OG1 THR A 21 6.105 19.233 2.831 1.00 0.00 O ATOM 282 CG2 THR A 21 4.776 18.106 4.504 1.00 0.00 C ATOM 0 H THR A 21 5.314 18.590 0.582 1.00 0.00 H new ATOM 0 HA THR A 21 5.666 16.574 2.446 1.00 0.00 H new ATOM 0 HB THR A 21 4.040 19.124 2.776 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.077 19.670 1.954 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.793 19.003 5.123 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.839 17.572 4.664 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.612 17.461 4.776 1.00 0.00 H new ATOM 290 N VAL A 22 2.502 17.110 1.637 1.00 0.00 N ATOM 291 CA VAL A 22 1.161 16.540 1.695 1.00 0.00 C ATOM 292 C VAL A 22 1.101 15.201 0.969 1.00 0.00 C ATOM 293 O VAL A 22 0.333 14.316 1.344 1.00 0.00 O ATOM 294 CB VAL A 22 0.119 17.492 1.077 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.285 16.932 1.249 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.229 18.877 1.698 1.00 0.00 C ATOM 0 H VAL A 22 2.578 17.954 1.069 1.00 0.00 H new ATOM 0 HA VAL A 22 0.927 16.390 2.749 1.00 0.00 H new ATOM 0 HB VAL A 22 0.321 17.580 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.007 17.618 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.354 15.964 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.502 16.813 2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.514 19.537 1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.054 18.809 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.226 19.278 1.518 1.00 0.00 H new ATOM 306 N GLU A 23 1.918 15.059 -0.069 1.00 0.00 N ATOM 307 CA GLU A 23 1.958 13.826 -0.846 1.00 0.00 C ATOM 308 C GLU A 23 2.375 12.646 0.026 1.00 0.00 C ATOM 309 O GLU A 23 1.805 11.559 -0.067 1.00 0.00 O ATOM 310 CB GLU A 23 2.924 13.970 -2.025 1.00 0.00 C ATOM 311 CG GLU A 23 2.271 14.518 -3.283 1.00 0.00 C ATOM 312 CD GLU A 23 3.220 14.553 -4.465 1.00 0.00 C ATOM 313 OE1 GLU A 23 3.496 13.476 -5.036 1.00 0.00 O ATOM 314 OE2 GLU A 23 3.689 15.654 -4.818 1.00 0.00 O ATOM 0 H GLU A 23 2.561 15.782 -0.391 1.00 0.00 H new ATOM 0 HA GLU A 23 0.955 13.636 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.743 14.628 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.361 12.996 -2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.405 13.905 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.903 15.525 -3.088 1.00 0.00 H new ATOM 321 N ASP A 24 3.375 12.868 0.872 1.00 0.00 N ATOM 322 CA ASP A 24 3.869 11.824 1.762 1.00 0.00 C ATOM 323 C ASP A 24 2.843 11.501 2.843 1.00 0.00 C ATOM 324 O ASP A 24 2.549 10.333 3.104 1.00 0.00 O ATOM 325 CB ASP A 24 5.188 12.255 2.406 1.00 0.00 C ATOM 326 CG ASP A 24 6.096 11.080 2.711 1.00 0.00 C ATOM 327 OD1 ASP A 24 6.529 10.401 1.756 1.00 0.00 O ATOM 328 OD2 ASP A 24 6.373 10.839 3.904 1.00 0.00 O ATOM 0 H ASP A 24 3.859 13.761 0.960 1.00 0.00 H new ATOM 0 HA ASP A 24 4.040 10.926 1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.705 12.946 1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.978 12.797 3.328 1.00 0.00 H new ATOM 333 N TYR A 25 2.304 12.540 3.469 1.00 0.00 N ATOM 334 CA TYR A 25 1.312 12.365 4.525 1.00 0.00 C ATOM 335 C TYR A 25 0.260 11.338 4.120 1.00 0.00 C ATOM 336 O TYR A 25 0.103 10.304 4.770 1.00 0.00 O ATOM 337 CB TYR A 25 0.640 13.701 4.847 1.00 0.00 C ATOM 338 CG TYR A 25 0.114 13.788 6.262 1.00 0.00 C ATOM 339 CD1 TYR A 25 0.953 14.130 7.316 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.221 13.529 6.545 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.478 14.211 8.610 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.705 13.609 7.837 1.00 0.00 C ATOM 343 CZ TYR A 25 -0.853 13.950 8.866 1.00 0.00 C ATOM 344 OH TYR A 25 -1.332 14.028 10.153 1.00 0.00 O ATOM 0 H TYR A 25 2.536 13.512 3.265 1.00 0.00 H new ATOM 0 HA TYR A 25 1.825 12.000 5.414 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.356 14.507 4.684 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.184 13.861 4.151 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.995 14.336 7.119 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.892 13.261 5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.144 14.477 9.417 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.746 13.405 8.040 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.292 13.832 10.157 1.00 0.00 H new ATOM 354 N PHE A 26 -0.460 11.631 3.042 1.00 0.00 N ATOM 355 CA PHE A 26 -1.498 10.733 2.549 1.00 0.00 C ATOM 356 C PHE A 26 -0.993 9.295 2.495 1.00 0.00 C ATOM 357 O PHE A 26 -1.720 8.357 2.827 1.00 0.00 O ATOM 358 CB PHE A 26 -1.965 11.174 1.160 1.00 0.00 C ATOM 359 CG PHE A 26 -2.759 12.450 1.172 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.797 12.627 2.072 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.466 13.471 0.283 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.529 13.799 2.085 1.00 0.00 C ATOM 363 CE2 PHE A 26 -3.194 14.645 0.292 1.00 0.00 C ATOM 364 CZ PHE A 26 -4.228 14.810 1.193 1.00 0.00 C ATOM 0 H PHE A 26 -0.344 12.483 2.493 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.340 10.778 3.240 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.095 11.303 0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.572 10.382 0.721 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.037 11.840 2.772 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.660 13.348 -0.425 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.336 13.924 2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.955 15.434 -0.406 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.799 15.727 1.200 1.00 0.00 H new ATOM 374 N CYS A 27 0.256 9.128 2.075 1.00 0.00 N ATOM 375 CA CYS A 27 0.859 7.804 1.975 1.00 0.00 C ATOM 376 C CYS A 27 1.050 7.188 3.358 1.00 0.00 C ATOM 377 O CYS A 27 0.824 5.994 3.554 1.00 0.00 O ATOM 378 CB CYS A 27 2.204 7.886 1.251 1.00 0.00 C ATOM 379 SG CYS A 27 2.106 8.604 -0.406 1.00 0.00 S ATOM 0 H CYS A 27 0.871 9.893 1.798 1.00 0.00 H new ATOM 0 HA CYS A 27 0.185 7.167 1.403 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.893 8.479 1.852 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.627 6.884 1.177 1.00 0.00 H new ATOM 0 HG CYS A 27 1.824 9.870 -0.314 1.00 0.00 H new ATOM 385 N PHE A 28 1.469 8.011 4.313 1.00 0.00 N ATOM 386 CA PHE A 28 1.693 7.547 5.677 1.00 0.00 C ATOM 387 C PHE A 28 0.393 7.048 6.303 1.00 0.00 C ATOM 388 O PHE A 28 0.307 5.905 6.752 1.00 0.00 O ATOM 389 CB PHE A 28 2.284 8.671 6.531 1.00 0.00 C ATOM 390 CG PHE A 28 2.026 8.508 8.001 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.724 7.567 8.740 1.00 0.00 C ATOM 392 CD2 PHE A 28 1.084 9.295 8.644 1.00 0.00 C ATOM 393 CE1 PHE A 28 2.487 7.413 10.094 1.00 0.00 C ATOM 394 CE2 PHE A 28 0.844 9.146 9.997 1.00 0.00 C ATOM 395 CZ PHE A 28 1.545 8.204 10.723 1.00 0.00 C ATOM 0 H PHE A 28 1.660 9.002 4.168 1.00 0.00 H new ATOM 0 HA PHE A 28 2.400 6.718 5.640 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.360 8.717 6.362 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.869 9.623 6.201 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.462 6.946 8.253 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.531 10.033 8.082 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.038 6.675 10.659 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.108 9.767 10.486 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.357 8.086 11.780 1.00 0.00 H new ATOM 405 N CYS A 29 -0.613 7.914 6.329 1.00 0.00 N ATOM 406 CA CYS A 29 -1.909 7.563 6.901 1.00 0.00 C ATOM 407 C CYS A 29 -2.440 6.271 6.291 1.00 0.00 C ATOM 408 O CYS A 29 -3.007 5.430 6.989 1.00 0.00 O ATOM 409 CB CYS A 29 -2.912 8.696 6.678 1.00 0.00 C ATOM 410 SG CYS A 29 -2.423 10.271 7.421 1.00 0.00 S ATOM 0 H CYS A 29 -0.557 8.864 5.961 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.776 7.410 7.972 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.050 8.839 5.606 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.878 8.398 7.087 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.059 11.098 6.486 1.00 0.00 H new ATOM 416 N TYR A 30 -2.253 6.119 4.985 1.00 0.00 N ATOM 417 CA TYR A 30 -2.718 4.931 4.279 1.00 0.00 C ATOM 418 C TYR A 30 -1.945 3.694 4.729 1.00 0.00 C ATOM 419 O TYR A 30 -2.513 2.772 5.311 1.00 0.00 O ATOM 420 CB TYR A 30 -2.569 5.118 2.768 1.00 0.00 C ATOM 421 CG TYR A 30 -3.053 3.935 1.960 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.237 3.285 2.287 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.328 3.467 0.872 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.684 2.203 1.553 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.769 2.387 0.131 1.00 0.00 C ATOM 426 CZ TYR A 30 -3.946 1.759 0.475 1.00 0.00 C ATOM 427 OH TYR A 30 -4.387 0.682 -0.259 1.00 0.00 O ATOM 0 H TYR A 30 -1.782 6.804 4.393 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.772 4.786 4.517 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.123 6.006 2.464 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.520 5.302 2.535 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.818 3.631 3.129 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.404 3.955 0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.605 1.708 1.821 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.194 2.037 -0.713 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.753 0.498 -0.984 1.00 0.00 H new ATOM 437 N GLY A 31 -0.645 3.684 4.453 1.00 0.00 N ATOM 438 CA GLY A 31 0.186 2.557 4.835 1.00 0.00 C ATOM 439 C GLY A 31 0.188 2.320 6.332 1.00 0.00 C ATOM 440 O GLY A 31 0.464 1.212 6.793 1.00 0.00 O ATOM 0 H GLY A 31 -0.152 4.436 3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.169 1.659 4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.207 2.731 4.496 1.00 0.00 H new ATOM 444 N LYS A 32 -0.121 3.363 7.095 1.00 0.00 N ATOM 445 CA LYS A 32 -0.154 3.264 8.549 1.00 0.00 C ATOM 446 C LYS A 32 -1.383 2.490 9.014 1.00 0.00 C ATOM 447 O LYS A 32 -1.309 1.698 9.954 1.00 0.00 O ATOM 448 CB LYS A 32 -0.152 4.661 9.176 1.00 0.00 C ATOM 449 CG LYS A 32 -0.671 4.689 10.603 1.00 0.00 C ATOM 450 CD LYS A 32 -2.174 4.913 10.645 1.00 0.00 C ATOM 451 CE LYS A 32 -2.592 5.647 11.909 1.00 0.00 C ATOM 452 NZ LYS A 32 -3.973 5.284 12.331 1.00 0.00 N ATOM 0 H LYS A 32 -0.352 4.287 6.730 1.00 0.00 H new ATOM 0 HA LYS A 32 0.737 2.725 8.872 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.864 5.055 9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.762 5.326 8.564 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.428 3.749 11.098 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.168 5.481 11.159 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.482 5.487 9.771 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.688 3.953 10.594 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.894 5.413 12.712 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.535 6.722 11.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.220 5.806 13.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.643 5.531 11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.022 4.262 12.517 1.00 0.00 H new ATOM 466 N ALA A 33 -2.510 2.722 8.350 1.00 0.00 N ATOM 467 CA ALA A 33 -3.753 2.043 8.694 1.00 0.00 C ATOM 468 C ALA A 33 -3.730 0.589 8.233 1.00 0.00 C ATOM 469 O ALA A 33 -4.396 -0.268 8.815 1.00 0.00 O ATOM 470 CB ALA A 33 -4.940 2.773 8.082 1.00 0.00 C ATOM 0 H ALA A 33 -2.588 3.375 7.570 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.855 2.052 9.779 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.862 2.255 8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.975 3.794 8.463 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.834 2.794 6.997 1.00 0.00 H new ATOM 476 N LEU A 34 -2.960 0.318 7.184 1.00 0.00 N ATOM 477 CA LEU A 34 -2.851 -1.032 6.645 1.00 0.00 C ATOM 478 C LEU A 34 -2.174 -1.965 7.644 1.00 0.00 C ATOM 479 O LEU A 34 -2.481 -3.155 7.706 1.00 0.00 O ATOM 480 CB LEU A 34 -2.066 -1.016 5.331 1.00 0.00 C ATOM 481 CG LEU A 34 -2.892 -0.820 4.060 1.00 0.00 C ATOM 482 CD1 LEU A 34 -1.998 -0.400 2.903 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.651 -2.092 3.715 1.00 0.00 C ATOM 0 H LEU A 34 -2.403 1.015 6.691 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.858 -1.403 6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.323 -0.220 5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.521 -1.956 5.245 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.617 -0.026 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.603 -0.265 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.500 0.538 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.249 -1.172 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.233 -1.933 2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.944 -2.906 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.321 -2.350 4.535 1.00 0.00 H new ATOM 495 N GLY A 35 -1.249 -1.415 8.426 1.00 0.00 N ATOM 496 CA GLY A 35 -0.544 -2.210 9.414 1.00 0.00 C ATOM 497 C GLY A 35 0.818 -2.666 8.926 1.00 0.00 C ATOM 498 O GLY A 35 1.338 -3.686 9.377 1.00 0.00 O ATOM 0 H GLY A 35 -0.976 -0.433 8.392 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.423 -1.626 10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.145 -3.082 9.671 1.00 0.00 H new ATOM 502 N LYS A 36 1.396 -1.909 8.000 1.00 0.00 N ATOM 503 CA LYS A 36 2.706 -2.239 7.450 1.00 0.00 C ATOM 504 C LYS A 36 3.810 -1.481 8.180 1.00 0.00 C ATOM 505 O LYS A 36 3.542 -0.706 9.097 1.00 0.00 O ATOM 506 CB LYS A 36 2.750 -1.912 5.955 1.00 0.00 C ATOM 507 CG LYS A 36 1.538 -2.409 5.187 1.00 0.00 C ATOM 508 CD LYS A 36 1.913 -2.862 3.786 1.00 0.00 C ATOM 509 CE LYS A 36 2.030 -1.684 2.831 1.00 0.00 C ATOM 510 NZ LYS A 36 2.819 -2.031 1.617 1.00 0.00 N ATOM 0 H LYS A 36 0.978 -1.062 7.614 1.00 0.00 H new ATOM 0 HA LYS A 36 2.872 -3.307 7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.831 -0.832 5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.649 -2.351 5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.078 -3.237 5.727 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.794 -1.615 5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.860 -3.401 3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.162 -3.559 3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.034 -1.356 2.535 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.502 -0.846 3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.632 -1.388 1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.159 -3.011 1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.218 -1.937 0.774 1.00 0.00 H new ATOM 524 N SER A 37 5.052 -1.709 7.765 1.00 0.00 N ATOM 525 CA SER A 37 6.197 -1.050 8.382 1.00 0.00 C ATOM 526 C SER A 37 6.829 -0.047 7.421 1.00 0.00 C ATOM 527 O SER A 37 7.994 0.321 7.568 1.00 0.00 O ATOM 528 CB SER A 37 7.237 -2.085 8.813 1.00 0.00 C ATOM 529 OG SER A 37 8.294 -1.477 9.535 1.00 0.00 O ATOM 0 H SER A 37 5.291 -2.345 7.004 1.00 0.00 H new ATOM 0 HA SER A 37 5.844 -0.512 9.262 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.762 -2.847 9.431 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.637 -2.591 7.934 1.00 0.00 H new ATOM 0 HG SER A 37 8.542 -0.633 9.103 1.00 0.00 H new ATOM 535 N THR A 38 6.050 0.390 6.436 1.00 0.00 N ATOM 536 CA THR A 38 6.531 1.349 5.450 1.00 0.00 C ATOM 537 C THR A 38 5.380 2.151 4.854 1.00 0.00 C ATOM 538 O THR A 38 4.215 1.771 4.981 1.00 0.00 O ATOM 539 CB THR A 38 7.297 0.647 4.312 1.00 0.00 C ATOM 540 OG1 THR A 38 6.432 -0.268 3.631 1.00 0.00 O ATOM 541 CG2 THR A 38 8.507 -0.098 4.853 1.00 0.00 C ATOM 0 H THR A 38 5.083 0.095 6.300 1.00 0.00 H new ATOM 0 HA THR A 38 7.208 2.025 5.971 1.00 0.00 H new ATOM 0 HB THR A 38 7.642 1.408 3.613 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.926 -0.709 2.908 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.032 -0.585 4.031 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.178 0.606 5.345 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.180 -0.850 5.571 1.00 0.00 H new ATOM 549 N VAL A 39 5.712 3.261 4.204 1.00 0.00 N ATOM 550 CA VAL A 39 4.705 4.115 3.585 1.00 0.00 C ATOM 551 C VAL A 39 4.242 3.543 2.251 1.00 0.00 C ATOM 552 O VAL A 39 5.035 2.978 1.497 1.00 0.00 O ATOM 553 CB VAL A 39 5.240 5.542 3.363 1.00 0.00 C ATOM 554 CG1 VAL A 39 5.142 6.356 4.643 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.674 5.499 2.857 1.00 0.00 C ATOM 0 H VAL A 39 6.671 3.591 4.092 1.00 0.00 H new ATOM 0 HA VAL A 39 3.859 4.155 4.271 1.00 0.00 H new ATOM 0 HB VAL A 39 4.625 6.028 2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.525 7.361 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.100 6.415 4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.731 5.876 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.037 6.516 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.304 4.995 3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.710 4.956 1.913 1.00 0.00 H new ATOM 565 N VAL A 40 2.954 3.694 1.963 1.00 0.00 N ATOM 566 CA VAL A 40 2.384 3.193 0.717 1.00 0.00 C ATOM 567 C VAL A 40 1.803 4.329 -0.116 1.00 0.00 C ATOM 568 O VAL A 40 1.146 5.236 0.396 1.00 0.00 O ATOM 569 CB VAL A 40 1.283 2.150 0.983 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.712 1.631 -0.328 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.824 1.007 1.828 1.00 0.00 C ATOM 0 H VAL A 40 2.284 4.159 2.576 1.00 0.00 H new ATOM 0 HA VAL A 40 3.196 2.720 0.165 1.00 0.00 H new ATOM 0 HB VAL A 40 0.477 2.631 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.065 0.895 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.285 2.460 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.506 1.166 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.032 0.280 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.648 0.525 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.180 1.396 2.782 1.00 0.00 H new ATOM 581 N PRO A 41 2.049 4.282 -1.434 1.00 0.00 N ATOM 582 CA PRO A 41 1.558 5.299 -2.368 1.00 0.00 C ATOM 583 C PRO A 41 0.045 5.238 -2.549 1.00 0.00 C ATOM 584 O PRO A 41 -0.500 4.215 -2.965 1.00 0.00 O ATOM 585 CB PRO A 41 2.267 4.949 -3.679 1.00 0.00 C ATOM 586 CG PRO A 41 2.565 3.493 -3.571 1.00 0.00 C ATOM 587 CD PRO A 41 2.825 3.230 -2.114 1.00 0.00 C ATOM 0 HA PRO A 41 1.762 6.309 -2.014 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.634 5.161 -4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.180 5.532 -3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.728 2.896 -3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.431 3.226 -4.176 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.495 2.234 -1.820 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.887 3.297 -1.877 1.00 0.00 H new ATOM 595 N VAL A 42 -0.629 6.340 -2.235 1.00 0.00 N ATOM 596 CA VAL A 42 -2.079 6.411 -2.364 1.00 0.00 C ATOM 597 C VAL A 42 -2.499 6.458 -3.829 1.00 0.00 C ATOM 598 O VAL A 42 -2.243 7.427 -4.544 1.00 0.00 O ATOM 599 CB VAL A 42 -2.647 7.647 -1.640 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.160 7.701 -1.782 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.241 7.637 -0.173 1.00 0.00 C ATOM 0 H VAL A 42 -0.194 7.195 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.482 5.510 -1.902 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.231 8.542 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.543 8.580 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.425 7.758 -2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.599 6.804 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.650 8.517 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.628 6.737 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.154 7.650 -0.096 1.00 0.00 H new ATOM 611 N PRO A 43 -3.160 5.385 -4.290 1.00 0.00 N ATOM 612 CA PRO A 43 -3.631 5.279 -5.674 1.00 0.00 C ATOM 613 C PRO A 43 -4.780 6.237 -5.970 1.00 0.00 C ATOM 614 O PRO A 43 -5.946 5.841 -5.966 1.00 0.00 O ATOM 615 CB PRO A 43 -4.103 3.827 -5.778 1.00 0.00 C ATOM 616 CG PRO A 43 -4.452 3.441 -4.381 1.00 0.00 C ATOM 617 CD PRO A 43 -3.499 4.193 -3.494 1.00 0.00 C ATOM 0 HA PRO A 43 -2.853 5.540 -6.391 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.964 3.737 -6.440 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.321 3.184 -6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.486 3.700 -4.151 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.353 2.365 -4.237 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.961 4.462 -2.544 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.614 3.600 -3.261 1.00 0.00 H new ATOM 625 N TYR A 44 -4.444 7.495 -6.227 1.00 0.00 N ATOM 626 CA TYR A 44 -5.448 8.509 -6.524 1.00 0.00 C ATOM 627 C TYR A 44 -6.248 8.136 -7.769 1.00 0.00 C ATOM 628 O TYR A 44 -7.461 8.336 -7.823 1.00 0.00 O ATOM 629 CB TYR A 44 -4.784 9.874 -6.721 1.00 0.00 C ATOM 630 CG TYR A 44 -4.134 10.417 -5.468 1.00 0.00 C ATOM 631 CD1 TYR A 44 -4.902 10.862 -4.401 1.00 0.00 C ATOM 632 CD2 TYR A 44 -2.750 10.481 -5.353 1.00 0.00 C ATOM 633 CE1 TYR A 44 -4.312 11.360 -3.255 1.00 0.00 C ATOM 634 CE2 TYR A 44 -2.152 10.977 -4.211 1.00 0.00 C ATOM 635 CZ TYR A 44 -2.937 11.415 -3.165 1.00 0.00 C ATOM 636 OH TYR A 44 -2.345 11.909 -2.024 1.00 0.00 O ATOM 0 H TYR A 44 -3.483 7.838 -6.236 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.132 8.564 -5.677 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.031 9.793 -7.505 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.532 10.586 -7.070 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.979 10.818 -4.468 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.133 10.137 -6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.924 11.704 -2.435 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.075 11.022 -4.138 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.001 12.430 -1.515 1.00 0.00 H new ATOM 646 N GLU A 45 -5.558 7.593 -8.767 1.00 0.00 N ATOM 647 CA GLU A 45 -6.203 7.192 -10.011 1.00 0.00 C ATOM 648 C GLU A 45 -7.345 6.216 -9.742 1.00 0.00 C ATOM 649 O GLU A 45 -8.392 6.273 -10.388 1.00 0.00 O ATOM 650 CB GLU A 45 -5.184 6.553 -10.957 1.00 0.00 C ATOM 651 CG GLU A 45 -5.815 5.710 -12.052 1.00 0.00 C ATOM 652 CD GLU A 45 -4.883 5.486 -13.226 1.00 0.00 C ATOM 653 OE1 GLU A 45 -4.157 6.433 -13.596 1.00 0.00 O ATOM 654 OE2 GLU A 45 -4.878 4.364 -13.776 1.00 0.00 O ATOM 0 H GLU A 45 -4.553 7.421 -8.738 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.614 8.085 -10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.584 7.339 -11.416 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.503 5.930 -10.377 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.110 4.746 -11.638 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.724 6.198 -12.403 1.00 0.00 H new ATOM 661 N LYS A 46 -7.136 5.319 -8.785 1.00 0.00 N ATOM 662 CA LYS A 46 -8.145 4.330 -8.428 1.00 0.00 C ATOM 663 C LYS A 46 -9.204 4.937 -7.513 1.00 0.00 C ATOM 664 O LYS A 46 -10.397 4.886 -7.809 1.00 0.00 O ATOM 665 CB LYS A 46 -7.492 3.128 -7.741 1.00 0.00 C ATOM 666 CG LYS A 46 -6.424 2.452 -8.583 1.00 0.00 C ATOM 667 CD LYS A 46 -6.185 1.020 -8.138 1.00 0.00 C ATOM 668 CE LYS A 46 -4.996 0.402 -8.857 1.00 0.00 C ATOM 669 NZ LYS A 46 -5.385 -0.185 -10.170 1.00 0.00 N ATOM 0 H LYS A 46 -6.275 5.257 -8.242 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.630 3.997 -9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.048 3.455 -6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.263 2.399 -7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.725 2.463 -9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.494 3.016 -8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.013 0.997 -7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.077 0.425 -8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.230 1.162 -9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.555 -0.372 -8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.547 -0.596 -10.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.097 -0.928 -10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.783 0.559 -10.779 1.00 0.00 H new ATOM 683 N MET A 47 -8.758 5.515 -6.402 1.00 0.00 N ATOM 684 CA MET A 47 -9.667 6.136 -5.446 1.00 0.00 C ATOM 685 C MET A 47 -10.637 7.079 -6.151 1.00 0.00 C ATOM 686 O MET A 47 -11.802 7.188 -5.767 1.00 0.00 O ATOM 687 CB MET A 47 -8.877 6.900 -4.381 1.00 0.00 C ATOM 688 CG MET A 47 -8.238 5.999 -3.337 1.00 0.00 C ATOM 689 SD MET A 47 -7.236 6.915 -2.149 1.00 0.00 S ATOM 690 CE MET A 47 -8.500 7.512 -1.029 1.00 0.00 C ATOM 0 H MET A 47 -7.773 5.566 -6.142 1.00 0.00 H new ATOM 0 HA MET A 47 -10.243 5.346 -4.964 1.00 0.00 H new ATOM 0 HB2 MET A 47 -8.098 7.487 -4.869 1.00 0.00 H new ATOM 0 HB3 MET A 47 -9.542 7.605 -3.883 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.019 5.455 -2.805 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.615 5.256 -3.836 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.078 8.278 -0.379 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.323 7.937 -1.603 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.869 6.685 -0.423 1.00 0.00 H new ATOM 700 N LEU A 48 -10.148 7.758 -7.184 1.00 0.00 N ATOM 701 CA LEU A 48 -10.972 8.692 -7.943 1.00 0.00 C ATOM 702 C LEU A 48 -12.180 7.986 -8.548 1.00 0.00 C ATOM 703 O LEU A 48 -13.257 8.571 -8.670 1.00 0.00 O ATOM 704 CB LEU A 48 -10.145 9.351 -9.047 1.00 0.00 C ATOM 705 CG LEU A 48 -9.246 10.509 -8.614 1.00 0.00 C ATOM 706 CD1 LEU A 48 -8.232 10.833 -9.700 1.00 0.00 C ATOM 707 CD2 LEU A 48 -10.081 11.735 -8.277 1.00 0.00 C ATOM 0 H LEU A 48 -9.186 7.679 -7.514 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.330 9.461 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.521 8.587 -9.510 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.827 9.715 -9.816 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.703 10.207 -7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.601 11.660 -9.374 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.612 9.957 -9.892 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.755 11.115 -10.614 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.424 12.549 -7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.651 12.039 -9.155 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.766 11.496 -7.464 1.00 0.00 H new ATOM 719 N ARG A 49 -11.995 6.724 -8.923 1.00 0.00 N ATOM 720 CA ARG A 49 -13.070 5.937 -9.515 1.00 0.00 C ATOM 721 C ARG A 49 -13.926 5.286 -8.433 1.00 0.00 C ATOM 722 O ARG A 49 -15.147 5.199 -8.562 1.00 0.00 O ATOM 723 CB ARG A 49 -12.494 4.863 -10.441 1.00 0.00 C ATOM 724 CG ARG A 49 -11.219 5.290 -11.149 1.00 0.00 C ATOM 725 CD ARG A 49 -11.452 6.504 -12.035 1.00 0.00 C ATOM 726 NE ARG A 49 -12.483 6.259 -13.038 1.00 0.00 N ATOM 727 CZ ARG A 49 -12.796 7.123 -13.998 1.00 0.00 C ATOM 728 NH1 ARG A 49 -12.158 8.282 -14.083 1.00 0.00 N ATOM 729 NH2 ARG A 49 -13.747 6.827 -14.874 1.00 0.00 N ATOM 0 H ARG A 49 -11.111 6.225 -8.827 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.701 6.609 -10.097 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.293 3.963 -9.859 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.243 4.599 -11.187 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.451 5.520 -10.410 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.843 4.464 -11.753 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.742 7.354 -11.417 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.520 6.775 -12.532 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.992 5.376 -13.000 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.426 8.512 -13.411 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.399 8.944 -14.820 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.239 5.936 -14.811 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.987 7.491 -15.610 1.00 0.00 H new ATOM 743 N ASP A 50 -13.277 4.829 -7.368 1.00 0.00 N ATOM 744 CA ASP A 50 -13.979 4.186 -6.263 1.00 0.00 C ATOM 745 C ASP A 50 -13.507 4.742 -4.923 1.00 0.00 C ATOM 746 O ASP A 50 -12.543 4.245 -4.339 1.00 0.00 O ATOM 747 CB ASP A 50 -13.763 2.672 -6.305 1.00 0.00 C ATOM 748 CG ASP A 50 -14.821 1.960 -7.127 1.00 0.00 C ATOM 749 OD1 ASP A 50 -15.901 1.664 -6.575 1.00 0.00 O ATOM 750 OD2 ASP A 50 -14.567 1.701 -8.322 1.00 0.00 O ATOM 0 H ASP A 50 -12.266 4.892 -7.246 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.043 4.396 -6.370 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.779 2.459 -6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.770 2.278 -5.289 1.00 0.00 H new ATOM 755 N GLN A 51 -14.191 5.775 -4.442 1.00 0.00 N ATOM 756 CA GLN A 51 -13.840 6.398 -3.172 1.00 0.00 C ATOM 757 C GLN A 51 -14.407 5.604 -2.000 1.00 0.00 C ATOM 758 O GLN A 51 -14.920 6.177 -1.039 1.00 0.00 O ATOM 759 CB GLN A 51 -14.356 7.838 -3.126 1.00 0.00 C ATOM 760 CG GLN A 51 -14.001 8.650 -4.360 1.00 0.00 C ATOM 761 CD GLN A 51 -14.438 10.098 -4.250 1.00 0.00 C ATOM 762 OE1 GLN A 51 -15.362 10.425 -3.505 1.00 0.00 O ATOM 763 NE2 GLN A 51 -13.773 10.975 -4.993 1.00 0.00 N ATOM 0 H GLN A 51 -14.991 6.198 -4.913 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.753 6.406 -3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.440 7.823 -3.010 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.948 8.334 -2.245 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.923 8.611 -4.519 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.469 8.198 -5.235 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.014 10.660 -5.597 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -14.022 11.964 -4.960 1.00 0.00 H new ATOM 772 N SER A 52 -14.313 4.280 -2.087 1.00 0.00 N ATOM 773 CA SER A 52 -14.822 3.407 -1.036 1.00 0.00 C ATOM 774 C SER A 52 -13.687 2.617 -0.391 1.00 0.00 C ATOM 775 O SER A 52 -13.494 2.667 0.824 1.00 0.00 O ATOM 776 CB SER A 52 -15.868 2.447 -1.604 1.00 0.00 C ATOM 777 OG SER A 52 -15.400 1.822 -2.786 1.00 0.00 O ATOM 0 H SER A 52 -13.889 3.789 -2.874 1.00 0.00 H new ATOM 0 HA SER A 52 -15.288 4.030 -0.273 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.112 1.688 -0.860 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.788 2.992 -1.817 1.00 0.00 H new ATOM 0 HG SER A 52 -16.087 1.212 -3.128 1.00 0.00 H new ATOM 783 N ALA A 53 -12.939 1.889 -1.212 1.00 0.00 N ATOM 784 CA ALA A 53 -11.823 1.089 -0.723 1.00 0.00 C ATOM 785 C ALA A 53 -11.139 1.767 0.459 1.00 0.00 C ATOM 786 O ALA A 53 -10.709 1.104 1.404 1.00 0.00 O ATOM 787 CB ALA A 53 -10.822 0.840 -1.842 1.00 0.00 C ATOM 0 H ALA A 53 -13.085 1.836 -2.220 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.216 0.131 -0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.994 0.241 -1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.312 0.307 -2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.442 1.793 -2.209 1.00 0.00 H new ATOM 793 N VAL A 54 -11.041 3.091 0.401 1.00 0.00 N ATOM 794 CA VAL A 54 -10.410 3.858 1.468 1.00 0.00 C ATOM 795 C VAL A 54 -11.055 5.233 1.612 1.00 0.00 C ATOM 796 O VAL A 54 -11.315 5.914 0.621 1.00 0.00 O ATOM 797 CB VAL A 54 -8.901 4.035 1.215 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.234 4.702 2.408 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.251 2.694 0.910 1.00 0.00 C ATOM 0 H VAL A 54 -11.391 3.655 -0.374 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.553 3.294 2.390 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.769 4.682 0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.168 4.819 2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.682 5.682 2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.373 4.084 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.185 2.838 0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.391 2.021 1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.710 2.261 0.021 1.00 0.00 H new ATOM 809 N VAL A 55 -11.307 5.634 2.854 1.00 0.00 N ATOM 810 CA VAL A 55 -11.921 6.928 3.129 1.00 0.00 C ATOM 811 C VAL A 55 -10.918 7.888 3.759 1.00 0.00 C ATOM 812 O VAL A 55 -10.041 7.476 4.518 1.00 0.00 O ATOM 813 CB VAL A 55 -13.136 6.786 4.064 1.00 0.00 C ATOM 814 CG1 VAL A 55 -13.810 8.134 4.273 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.121 5.769 3.507 1.00 0.00 C ATOM 0 H VAL A 55 -11.096 5.082 3.685 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.254 7.330 2.172 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.787 6.427 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.666 8.014 4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.100 8.830 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.147 8.525 3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.973 5.681 4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.466 6.096 2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.630 4.800 3.415 1.00 0.00 H new ATOM 825 N VAL A 56 -11.053 9.171 3.438 1.00 0.00 N ATOM 826 CA VAL A 56 -10.160 10.192 3.974 1.00 0.00 C ATOM 827 C VAL A 56 -10.926 11.202 4.820 1.00 0.00 C ATOM 828 O VAL A 56 -11.886 11.816 4.354 1.00 0.00 O ATOM 829 CB VAL A 56 -9.421 10.937 2.848 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.315 11.811 3.421 1.00 0.00 C ATOM 831 CG2 VAL A 56 -8.861 9.951 1.834 1.00 0.00 C ATOM 0 H VAL A 56 -11.772 9.528 2.809 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.430 9.678 4.600 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.134 11.584 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.804 12.330 2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.746 12.542 4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.601 11.188 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.342 10.496 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.163 9.277 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.677 9.373 1.400 1.00 0.00 H new ATOM 841 N GLN A 57 -10.494 11.371 6.065 1.00 0.00 N ATOM 842 CA GLN A 57 -11.139 12.308 6.977 1.00 0.00 C ATOM 843 C GLN A 57 -10.201 13.457 7.331 1.00 0.00 C ATOM 844 O GLN A 57 -8.996 13.384 7.094 1.00 0.00 O ATOM 845 CB GLN A 57 -11.586 11.588 8.251 1.00 0.00 C ATOM 846 CG GLN A 57 -12.782 10.673 8.046 1.00 0.00 C ATOM 847 CD GLN A 57 -13.590 10.476 9.313 1.00 0.00 C ATOM 848 OE1 GLN A 57 -13.056 10.541 10.420 1.00 0.00 O ATOM 849 NE2 GLN A 57 -14.886 10.235 9.157 1.00 0.00 N ATOM 0 H GLN A 57 -9.700 10.871 6.465 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.014 12.719 6.475 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.753 11.001 8.638 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.833 12.330 9.010 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.425 11.090 7.271 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.436 9.704 7.686 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.287 10.190 8.220 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.481 10.095 9.974 1.00 0.00 H new ATOM 858 N GLY A 58 -10.763 14.519 7.901 1.00 0.00 N ATOM 859 CA GLY A 58 -9.962 15.670 8.278 1.00 0.00 C ATOM 860 C GLY A 58 -9.859 16.694 7.165 1.00 0.00 C ATOM 861 O GLY A 58 -9.046 17.617 7.233 1.00 0.00 O ATOM 0 H GLY A 58 -11.758 14.603 8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.398 16.139 9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.962 15.338 8.555 1.00 0.00 H new ATOM 865 N LEU A 59 -10.683 16.532 6.135 1.00 0.00 N ATOM 866 CA LEU A 59 -10.680 17.449 5.001 1.00 0.00 C ATOM 867 C LEU A 59 -11.568 18.659 5.277 1.00 0.00 C ATOM 868 O LEU A 59 -12.546 18.584 6.023 1.00 0.00 O ATOM 869 CB LEU A 59 -11.157 16.731 3.737 1.00 0.00 C ATOM 870 CG LEU A 59 -10.118 15.861 3.028 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.581 15.518 1.620 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.770 16.566 2.990 1.00 0.00 C ATOM 0 H LEU A 59 -11.362 15.774 6.062 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.658 17.797 4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.009 16.104 3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.517 17.480 3.032 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.005 14.933 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.829 14.899 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.524 14.973 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.722 16.436 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.042 15.933 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.868 17.509 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.433 16.761 4.008 1.00 0.00 H new ATOM 884 N PRO A 60 -11.223 19.799 4.662 1.00 0.00 N ATOM 885 CA PRO A 60 -11.977 21.046 4.824 1.00 0.00 C ATOM 886 C PRO A 60 -13.347 20.985 4.156 1.00 0.00 C ATOM 887 O PRO A 60 -13.797 19.919 3.740 1.00 0.00 O ATOM 888 CB PRO A 60 -11.092 22.088 4.136 1.00 0.00 C ATOM 889 CG PRO A 60 -10.296 21.312 3.143 1.00 0.00 C ATOM 890 CD PRO A 60 -10.069 19.960 3.760 1.00 0.00 C ATOM 0 HA PRO A 60 -12.181 21.266 5.872 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.691 22.857 3.649 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.446 22.594 4.853 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.831 21.224 2.197 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.349 21.807 2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.036 19.174 3.005 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.125 19.920 4.304 1.00 0.00 H new ATOM 898 N GLU A 61 -14.003 22.138 4.058 1.00 0.00 N ATOM 899 CA GLU A 61 -15.322 22.214 3.441 1.00 0.00 C ATOM 900 C GLU A 61 -15.206 22.419 1.933 1.00 0.00 C ATOM 901 O GLU A 61 -14.132 22.725 1.418 1.00 0.00 O ATOM 902 CB GLU A 61 -16.135 23.353 4.061 1.00 0.00 C ATOM 903 CG GLU A 61 -17.636 23.119 4.024 1.00 0.00 C ATOM 904 CD GLU A 61 -18.380 23.951 5.051 1.00 0.00 C ATOM 905 OE1 GLU A 61 -18.173 23.725 6.261 1.00 0.00 O ATOM 906 OE2 GLU A 61 -19.170 24.829 4.642 1.00 0.00 O ATOM 0 H GLU A 61 -13.643 23.030 4.397 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.835 21.270 3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.822 23.490 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.907 24.280 3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -18.013 23.355 3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.840 22.063 4.200 1.00 0.00 H new ATOM 913 N GLY A 62 -16.322 22.247 1.231 1.00 0.00 N ATOM 914 CA GLY A 62 -16.325 22.416 -0.210 1.00 0.00 C ATOM 915 C GLY A 62 -15.106 21.800 -0.869 1.00 0.00 C ATOM 916 O GLY A 62 -14.712 22.204 -1.962 1.00 0.00 O ATOM 0 H GLY A 62 -17.224 21.994 1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -17.226 21.963 -0.624 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.365 23.479 -0.448 1.00 0.00 H new ATOM 920 N VAL A 63 -14.508 20.819 -0.201 1.00 0.00 N ATOM 921 CA VAL A 63 -13.326 20.146 -0.729 1.00 0.00 C ATOM 922 C VAL A 63 -13.616 18.678 -1.024 1.00 0.00 C ATOM 923 O VAL A 63 -14.569 18.105 -0.497 1.00 0.00 O ATOM 924 CB VAL A 63 -12.144 20.236 0.254 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.293 19.208 1.365 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.825 20.052 -0.481 1.00 0.00 C ATOM 0 H VAL A 63 -14.822 20.472 0.706 1.00 0.00 H new ATOM 0 HA VAL A 63 -13.059 20.654 -1.655 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.146 21.227 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.448 19.287 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.219 19.392 1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.318 18.207 0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.001 20.119 0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.811 19.075 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.717 20.831 -1.236 1.00 0.00 H new ATOM 936 N ALA A 64 -12.787 18.076 -1.871 1.00 0.00 N ATOM 937 CA ALA A 64 -12.953 16.675 -2.235 1.00 0.00 C ATOM 938 C ALA A 64 -11.603 15.977 -2.360 1.00 0.00 C ATOM 939 O ALA A 64 -10.783 16.336 -3.206 1.00 0.00 O ATOM 940 CB ALA A 64 -13.733 16.556 -3.536 1.00 0.00 C ATOM 0 H ALA A 64 -11.994 18.537 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.515 16.183 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.849 15.504 -3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.716 17.010 -3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.193 17.069 -4.332 1.00 0.00 H new ATOM 946 N PHE A 65 -11.376 14.978 -1.513 1.00 0.00 N ATOM 947 CA PHE A 65 -10.124 14.231 -1.528 1.00 0.00 C ATOM 948 C PHE A 65 -9.584 14.104 -2.950 1.00 0.00 C ATOM 949 O PHE A 65 -10.196 13.465 -3.804 1.00 0.00 O ATOM 950 CB PHE A 65 -10.328 12.842 -0.921 1.00 0.00 C ATOM 951 CG PHE A 65 -9.208 11.887 -1.223 1.00 0.00 C ATOM 952 CD1 PHE A 65 -8.011 11.960 -0.529 1.00 0.00 C ATOM 953 CD2 PHE A 65 -9.353 10.914 -2.199 1.00 0.00 C ATOM 954 CE1 PHE A 65 -6.979 11.084 -0.805 1.00 0.00 C ATOM 955 CE2 PHE A 65 -8.324 10.034 -2.479 1.00 0.00 C ATOM 956 CZ PHE A 65 -7.136 10.119 -1.780 1.00 0.00 C ATOM 0 H PHE A 65 -12.044 14.667 -0.807 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.395 14.778 -0.929 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.432 12.938 0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.263 12.424 -1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.883 12.711 0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.281 10.842 -2.747 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.050 11.154 -0.259 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.449 9.281 -3.243 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.331 9.432 -1.996 1.00 0.00 H new ATOM 966 N LYS A 66 -8.432 14.720 -3.195 1.00 0.00 N ATOM 967 CA LYS A 66 -7.806 14.677 -4.512 1.00 0.00 C ATOM 968 C LYS A 66 -6.316 14.988 -4.416 1.00 0.00 C ATOM 969 O LYS A 66 -5.813 15.345 -3.349 1.00 0.00 O ATOM 970 CB LYS A 66 -8.487 15.672 -5.455 1.00 0.00 C ATOM 971 CG LYS A 66 -8.341 17.119 -5.019 1.00 0.00 C ATOM 972 CD LYS A 66 -8.946 18.071 -6.039 1.00 0.00 C ATOM 973 CE LYS A 66 -10.421 18.319 -5.762 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.887 19.605 -6.350 1.00 0.00 N ATOM 0 H LYS A 66 -7.913 15.255 -2.499 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.923 13.669 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.067 15.558 -6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.547 15.427 -5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.828 17.260 -4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.286 17.354 -4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.407 19.018 -6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.827 17.657 -7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.010 17.498 -6.171 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.592 18.329 -4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.897 19.737 -6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.342 20.391 -5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.748 19.586 -7.380 1.00 0.00 H new ATOM 988 N HIS A 67 -5.614 14.852 -5.537 1.00 0.00 N ATOM 989 CA HIS A 67 -4.182 15.122 -5.580 1.00 0.00 C ATOM 990 C HIS A 67 -3.845 16.394 -4.807 1.00 0.00 C ATOM 991 O HIS A 67 -4.571 17.386 -4.851 1.00 0.00 O ATOM 992 CB HIS A 67 -3.708 15.250 -7.027 1.00 0.00 C ATOM 993 CG HIS A 67 -2.290 14.817 -7.235 1.00 0.00 C ATOM 994 ND1 HIS A 67 -1.222 15.686 -7.181 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.767 13.595 -7.496 1.00 0.00 C ATOM 996 CE1 HIS A 67 -0.102 15.020 -7.402 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.406 13.749 -7.595 1.00 0.00 N ATOM 0 H HIS A 67 -6.014 14.556 -6.427 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.666 14.285 -5.110 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.358 14.654 -7.667 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.812 16.288 -7.344 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.317 12.672 -7.606 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.892 15.443 -7.421 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.262 13.003 -7.787 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.717 16.364 -4.080 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.259 17.506 -3.284 1.00 0.00 C ATOM 1007 C PRO A 68 -1.784 18.666 -4.154 1.00 0.00 C ATOM 1008 O PRO A 68 -1.356 19.700 -3.643 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.091 16.930 -2.478 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.596 15.787 -3.294 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.803 15.214 -3.982 1.00 0.00 C ATOM 0 HA PRO A 68 -3.057 17.920 -2.668 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.310 17.675 -2.325 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.415 16.601 -1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.146 16.119 -4.020 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.114 15.039 -2.665 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.553 14.814 -4.965 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.243 14.398 -3.408 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.866 18.486 -5.468 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.445 19.519 -6.408 1.00 0.00 C ATOM 1021 C GLU A 69 -2.643 20.319 -6.911 1.00 0.00 C ATOM 1022 O GLU A 69 -2.490 21.417 -7.442 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.702 18.892 -7.590 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.624 18.291 -8.638 1.00 0.00 C ATOM 1025 CD GLU A 69 -0.892 17.391 -9.613 1.00 0.00 C ATOM 1026 OE1 GLU A 69 0.237 17.744 -10.014 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -1.447 16.332 -9.974 1.00 0.00 O ATOM 0 H GLU A 69 -2.220 17.635 -5.906 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.772 20.198 -5.884 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.078 19.652 -8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.034 18.116 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.409 17.720 -8.141 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.114 19.094 -9.189 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.836 19.757 -6.739 1.00 0.00 N ATOM 1035 CA ASN A 70 -5.060 20.417 -7.177 1.00 0.00 C ATOM 1036 C ASN A 70 -5.550 21.409 -6.126 1.00 0.00 C ATOM 1037 O ASN A 70 -6.443 22.214 -6.386 1.00 0.00 O ATOM 1038 CB ASN A 70 -6.149 19.380 -7.462 1.00 0.00 C ATOM 1039 CG ASN A 70 -5.958 18.694 -8.800 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -5.177 19.149 -9.638 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -6.671 17.594 -9.010 1.00 0.00 N ATOM 0 H ASN A 70 -3.980 18.848 -6.300 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.840 20.965 -8.093 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.150 18.631 -6.670 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.124 19.866 -7.442 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.584 17.091 -9.893 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.306 17.252 -8.289 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.958 21.344 -4.938 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.334 22.234 -3.846 1.00 0.00 C ATOM 1050 C TYR A 71 -4.531 23.530 -3.899 1.00 0.00 C ATOM 1051 O TYR A 71 -3.301 23.514 -3.847 1.00 0.00 O ATOM 1052 CB TYR A 71 -5.119 21.542 -2.499 1.00 0.00 C ATOM 1053 CG TYR A 71 -5.959 20.299 -2.316 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.298 20.279 -2.689 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.414 19.142 -1.773 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -8.069 19.145 -2.523 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.177 18.002 -1.605 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.504 18.010 -1.980 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.268 16.877 -1.815 1.00 0.00 O ATOM 0 H TYR A 71 -4.216 20.684 -4.707 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.391 22.478 -3.957 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.066 21.277 -2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.347 22.245 -1.698 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.743 21.166 -3.116 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.375 19.133 -1.477 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.108 19.147 -2.817 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.737 17.111 -1.183 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.201 17.075 -2.042 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.237 24.651 -4.002 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.591 25.958 -4.061 1.00 0.00 C ATOM 1071 C ASP A 72 -3.601 26.126 -2.912 1.00 0.00 C ATOM 1072 O ASP A 72 -3.828 25.636 -1.805 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.639 27.070 -4.013 1.00 0.00 C ATOM 1074 CG ASP A 72 -6.877 26.734 -4.822 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -6.885 27.018 -6.039 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -7.836 26.188 -4.240 1.00 0.00 O ATOM 0 H ASP A 72 -6.256 24.681 -4.046 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.044 26.024 -5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.924 27.252 -2.977 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.202 27.994 -4.391 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.501 26.820 -3.184 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.474 27.052 -2.173 1.00 0.00 C ATOM 1083 C LEU A 73 -2.101 27.272 -0.800 1.00 0.00 C ATOM 1084 O LEU A 73 -1.683 26.667 0.187 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.619 28.262 -2.556 1.00 0.00 C ATOM 1086 CG LEU A 73 0.456 28.669 -1.548 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.131 27.440 -0.960 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.482 29.582 -2.203 1.00 0.00 C ATOM 0 H LEU A 73 -2.297 27.232 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.840 26.167 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.134 28.052 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.281 29.114 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.023 29.217 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.893 27.750 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.388 26.824 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.597 26.863 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.240 29.862 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.956 29.060 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.986 30.479 -2.574 1.00 0.00 H new ATOM 1100 N ALA A 74 -3.107 28.140 -0.747 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.793 28.436 0.505 1.00 0.00 C ATOM 1102 C ALA A 74 -4.343 27.165 1.143 1.00 0.00 C ATOM 1103 O ALA A 74 -4.065 26.871 2.307 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.914 29.436 0.267 1.00 0.00 C ATOM 0 H ALA A 74 -3.464 28.649 -1.555 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.070 28.873 1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.418 29.648 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.499 30.359 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.630 29.019 -0.441 1.00 0.00 H new ATOM 1110 N THR A 75 -5.125 26.413 0.375 1.00 0.00 N ATOM 1111 CA THR A 75 -5.715 25.174 0.867 1.00 0.00 C ATOM 1112 C THR A 75 -4.641 24.209 1.355 1.00 0.00 C ATOM 1113 O THR A 75 -4.738 23.662 2.455 1.00 0.00 O ATOM 1114 CB THR A 75 -6.555 24.481 -0.223 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.531 25.391 -0.742 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.250 23.247 0.333 1.00 0.00 C ATOM 0 H THR A 75 -5.365 26.640 -0.590 1.00 0.00 H new ATOM 0 HA THR A 75 -6.364 25.442 1.701 1.00 0.00 H new ATOM 0 HB THR A 75 -5.885 24.171 -1.025 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.060 24.943 -1.435 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.837 22.774 -0.454 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.503 22.543 0.701 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.908 23.538 1.151 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.618 24.005 0.533 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.524 23.105 0.882 1.00 0.00 C ATOM 1126 C LEU A 76 -2.093 23.311 2.331 1.00 0.00 C ATOM 1127 O LEU A 76 -2.104 22.375 3.133 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.335 23.331 -0.052 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.356 22.548 -1.367 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.264 23.043 -2.301 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.199 21.058 -1.102 1.00 0.00 C ATOM 0 H LEU A 76 -3.523 24.450 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.878 22.080 0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.279 24.394 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.422 23.075 0.486 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.319 22.712 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.295 22.474 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.421 24.100 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.708 22.910 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.216 20.516 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.250 20.876 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.018 20.712 -0.471 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.713 24.540 2.662 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.281 24.870 4.014 1.00 0.00 C ATOM 1145 C LYS A 77 -2.266 24.331 5.048 1.00 0.00 C ATOM 1146 O LYS A 77 -1.864 23.764 6.064 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.141 26.386 4.172 1.00 0.00 C ATOM 1148 CG LYS A 77 -0.108 27.001 3.243 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.103 28.517 3.340 1.00 0.00 C ATOM 1150 CE LYS A 77 1.181 29.107 2.779 1.00 0.00 C ATOM 1151 NZ LYS A 77 1.337 30.543 3.143 1.00 0.00 N ATOM 0 H LYS A 77 -1.696 25.325 2.011 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.311 24.401 4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.108 26.853 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.870 26.612 5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.881 26.616 3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.317 26.702 2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.958 28.920 2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.217 28.816 4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.034 28.542 3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.184 29.005 1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.224 30.908 2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.536 31.086 2.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.360 30.638 4.178 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.553 24.509 4.779 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.595 24.038 5.686 1.00 0.00 C ATOM 1167 C TRP A 78 -4.410 22.559 6.007 1.00 0.00 C ATOM 1168 O TRP A 78 -4.241 22.183 7.168 1.00 0.00 O ATOM 1169 CB TRP A 78 -5.977 24.269 5.072 1.00 0.00 C ATOM 1170 CG TRP A 78 -7.101 24.044 6.037 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.743 24.990 6.784 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.714 22.791 6.361 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.717 24.401 7.552 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.722 23.053 7.310 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.513 21.473 5.939 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.521 22.046 7.844 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.307 20.476 6.471 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.301 20.765 7.413 1.00 0.00 C ATOM 0 H TRP A 78 -3.901 24.975 3.941 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.517 24.605 6.614 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -6.032 25.289 4.693 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.103 23.604 4.218 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.518 26.046 6.772 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.337 24.889 8.199 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.751 21.239 5.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.287 22.267 8.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.158 19.454 6.154 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.906 19.962 7.808 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.441 21.725 4.973 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.274 20.287 5.147 1.00 0.00 C ATOM 1191 C ILE A 79 -3.169 19.979 6.152 1.00 0.00 C ATOM 1192 O ILE A 79 -3.387 19.263 7.131 1.00 0.00 O ATOM 1193 CB ILE A 79 -3.946 19.593 3.811 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.108 19.755 2.829 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.641 18.121 4.041 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.822 19.186 1.456 1.00 0.00 C ATOM 0 H ILE A 79 -4.580 22.020 4.007 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.222 19.903 5.524 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.063 20.064 3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.991 19.266 3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.346 20.814 2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.411 17.644 3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.785 18.027 4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.508 17.636 4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.689 19.336 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.958 19.692 1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.613 18.120 1.540 1.00 0.00 H new ATOM 1208 N LEU A 80 -1.984 20.525 5.904 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.844 20.310 6.789 1.00 0.00 C ATOM 1210 C LEU A 80 -1.145 20.813 8.197 1.00 0.00 C ATOM 1211 O LEU A 80 -0.728 20.209 9.184 1.00 0.00 O ATOM 1212 CB LEU A 80 0.395 21.018 6.237 1.00 0.00 C ATOM 1213 CG LEU A 80 1.174 20.263 5.159 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.180 21.183 4.485 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.873 19.051 5.756 1.00 0.00 C ATOM 0 H LEU A 80 -1.787 21.119 5.099 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.651 19.238 6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.087 21.980 5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.070 21.226 7.067 1.00 0.00 H new ATOM 0 HG LEU A 80 0.469 19.915 4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.725 20.629 3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.655 22.019 4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.882 21.562 5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.422 18.526 4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.567 19.376 6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.131 18.381 6.191 1.00 0.00 H new ATOM 1227 N GLU A 81 -1.874 21.922 8.281 1.00 0.00 N ATOM 1228 CA GLU A 81 -2.233 22.503 9.569 1.00 0.00 C ATOM 1229 C GLU A 81 -3.109 21.549 10.373 1.00 0.00 C ATOM 1230 O GLU A 81 -2.807 21.229 11.522 1.00 0.00 O ATOM 1231 CB GLU A 81 -2.960 23.835 9.368 1.00 0.00 C ATOM 1232 CG GLU A 81 -2.041 25.043 9.408 1.00 0.00 C ATOM 1233 CD GLU A 81 -1.086 25.012 10.585 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -1.564 24.877 11.732 1.00 0.00 O ATOM 1235 OE2 GLU A 81 0.138 25.121 10.361 1.00 0.00 O ATOM 0 H GLU A 81 -2.227 22.435 7.473 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.313 22.679 10.127 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.478 23.815 8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.722 23.943 10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.468 25.090 8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.642 25.951 9.457 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.199 21.096 9.760 1.00 0.00 N ATOM 1243 CA ASN A 82 -5.122 20.178 10.418 1.00 0.00 C ATOM 1244 C ASN A 82 -4.890 18.746 9.950 1.00 0.00 C ATOM 1245 O ASN A 82 -5.831 17.960 9.828 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.569 20.590 10.140 1.00 0.00 C ATOM 1247 CG ASN A 82 -6.905 21.949 10.723 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.852 22.088 11.497 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -6.128 22.960 10.350 1.00 0.00 N ATOM 0 H ASN A 82 -4.464 21.350 8.808 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.938 20.225 11.491 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.739 20.607 9.063 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.243 19.842 10.557 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.306 23.899 10.708 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.354 22.798 9.706 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.631 18.410 9.689 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.273 17.071 9.235 1.00 0.00 C ATOM 1258 C LYS A 83 -3.297 16.080 10.393 1.00 0.00 C ATOM 1259 O LYS A 83 -3.837 14.981 10.272 1.00 0.00 O ATOM 1260 CB LYS A 83 -1.887 17.083 8.588 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.751 17.214 9.589 1.00 0.00 C ATOM 1262 CD LYS A 83 0.581 17.444 8.893 1.00 0.00 C ATOM 1263 CE LYS A 83 1.741 17.382 9.875 1.00 0.00 C ATOM 1264 NZ LYS A 83 3.054 17.563 9.195 1.00 0.00 N ATOM 0 H LYS A 83 -2.840 19.048 9.784 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.009 16.756 8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.753 16.164 8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.833 17.909 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.956 18.042 10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.694 16.311 10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.721 16.693 8.115 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.572 18.416 8.400 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.616 18.154 10.634 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.729 16.422 10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.819 17.514 9.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.185 16.812 8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.076 18.490 8.723 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.711 16.477 11.518 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.668 15.624 12.700 1.00 0.00 C ATOM 1280 C ALA A 84 -4.005 14.923 12.919 1.00 0.00 C ATOM 1281 O ALA A 84 -4.058 13.825 13.471 1.00 0.00 O ATOM 1282 CB ALA A 84 -2.290 16.440 13.927 1.00 0.00 C ATOM 0 H ALA A 84 -2.259 17.384 11.636 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.908 14.859 12.539 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.262 15.790 14.802 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.308 16.889 13.777 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.029 17.226 14.083 1.00 0.00 H new ATOM 1288 N GLY A 85 -5.083 15.567 12.484 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.407 14.991 12.643 1.00 0.00 C ATOM 1290 C GLY A 85 -6.788 14.088 11.487 1.00 0.00 C ATOM 1291 O GLY A 85 -7.459 13.074 11.679 1.00 0.00 O ATOM 0 H GLY A 85 -5.064 16.477 12.024 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.443 14.422 13.572 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.140 15.792 12.731 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.362 14.458 10.284 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.664 13.673 9.093 1.00 0.00 C ATOM 1297 C ILE A 86 -6.417 12.189 9.335 1.00 0.00 C ATOM 1298 O ILE A 86 -5.301 11.779 9.652 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.823 14.134 7.889 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.427 15.395 7.268 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.727 13.022 6.854 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.602 15.968 6.137 1.00 0.00 C ATOM 0 H ILE A 86 -5.807 15.296 10.108 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.719 13.830 8.870 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.817 14.370 8.237 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.426 15.165 6.897 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.541 16.153 8.043 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.129 13.363 6.008 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.256 12.147 7.302 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.727 12.759 6.509 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.091 16.860 5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.611 16.230 6.506 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.509 15.227 5.343 1.00 0.00 H new ATOM 1314 N SER A 87 -7.465 11.387 9.180 1.00 0.00 N ATOM 1315 CA SER A 87 -7.362 9.946 9.384 1.00 0.00 C ATOM 1316 C SER A 87 -7.738 9.190 8.113 1.00 0.00 C ATOM 1317 O SER A 87 -8.359 9.746 7.206 1.00 0.00 O ATOM 1318 CB SER A 87 -8.265 9.507 10.538 1.00 0.00 C ATOM 1319 OG SER A 87 -9.557 9.156 10.071 1.00 0.00 O ATOM 0 H SER A 87 -8.395 11.710 8.914 1.00 0.00 H new ATOM 0 HA SER A 87 -6.327 9.712 9.633 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.817 8.656 11.051 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.345 10.313 11.268 1.00 0.00 H new ATOM 0 HG SER A 87 -10.114 8.878 10.828 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.359 7.918 8.054 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.654 7.084 6.896 1.00 0.00 C ATOM 1327 C PHE A 88 -8.292 5.766 7.323 1.00 0.00 C ATOM 1328 O PHE A 88 -7.750 5.045 8.162 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.377 6.812 6.098 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.126 7.815 5.009 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -5.878 9.143 5.316 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.138 7.431 3.678 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.645 10.069 4.316 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -5.906 8.351 2.674 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.660 9.673 2.994 1.00 0.00 C ATOM 0 H PHE A 88 -6.846 7.442 8.796 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.361 7.621 6.264 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.526 6.807 6.780 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.438 5.817 5.657 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.867 9.459 6.349 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.331 6.400 3.422 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.451 11.101 4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.917 8.038 1.640 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.480 10.395 2.211 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.445 5.456 6.740 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.155 4.225 7.059 1.00 0.00 C ATOM 1347 C ILE A 89 -10.167 3.271 5.868 1.00 0.00 C ATOM 1348 O ILE A 89 -10.813 3.537 4.854 1.00 0.00 O ATOM 1349 CB ILE A 89 -11.607 4.507 7.489 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -11.638 5.567 8.592 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.280 3.226 7.959 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -11.777 6.980 8.069 1.00 0.00 C ATOM 0 H ILE A 89 -9.907 6.041 6.044 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.622 3.761 7.889 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.157 4.888 6.629 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.468 5.354 9.266 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.723 5.494 9.180 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.305 3.443 8.259 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.286 2.499 7.147 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.732 2.817 8.808 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -11.792 7.678 8.906 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.934 7.212 7.418 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.706 7.070 7.505 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.449 2.161 6.000 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.379 1.168 4.935 1.00 0.00 C ATOM 1366 C ILE A 90 -10.593 0.245 4.963 1.00 0.00 C ATOM 1367 O ILE A 90 -10.770 -0.539 5.897 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.099 0.317 5.042 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.121 0.686 3.926 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -8.441 -1.164 4.988 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.152 1.783 4.308 1.00 0.00 C ATOM 0 H ILE A 90 -8.908 1.927 6.833 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.364 1.716 3.993 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.622 0.524 6.000 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.557 -0.202 3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.686 1.001 3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.526 -1.752 5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.104 -1.415 5.816 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.938 -1.388 4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.489 1.992 3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.707 2.685 4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.561 1.464 5.166 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.426 0.341 3.934 1.00 0.00 N ATOM 1384 CA LYS A 91 -12.622 -0.487 3.837 1.00 0.00 C ATOM 1385 C LYS A 91 -12.334 -1.774 3.072 1.00 0.00 C ATOM 1386 O LYS A 91 -12.932 -2.815 3.342 1.00 0.00 O ATOM 1387 CB LYS A 91 -13.748 0.287 3.147 1.00 0.00 C ATOM 1388 CG LYS A 91 -13.919 1.704 3.666 1.00 0.00 C ATOM 1389 CD LYS A 91 -14.936 1.766 4.793 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.292 3.202 5.145 1.00 0.00 C ATOM 1391 NZ LYS A 91 -16.651 3.307 5.744 1.00 0.00 N ATOM 0 H LYS A 91 -11.295 0.985 3.154 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.934 -0.749 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.549 0.323 2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -14.684 -0.255 3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -12.959 2.081 4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.237 2.355 2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.838 1.228 4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.536 1.263 5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.556 3.597 5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.242 3.819 4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -16.855 4.302 5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.357 2.954 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.692 2.739 6.614 1.00 0.00 H new ATOM 1405 N ARG A 92 -11.411 -1.697 2.118 1.00 0.00 N ATOM 1406 CA ARG A 92 -11.043 -2.856 1.316 1.00 0.00 C ATOM 1407 C ARG A 92 -9.948 -2.499 0.315 1.00 0.00 C ATOM 1408 O ARG A 92 -10.020 -1.491 -0.390 1.00 0.00 O ATOM 1409 CB ARG A 92 -12.267 -3.400 0.575 1.00 0.00 C ATOM 1410 CG ARG A 92 -11.919 -4.253 -0.633 1.00 0.00 C ATOM 1411 CD ARG A 92 -11.548 -3.394 -1.833 1.00 0.00 C ATOM 1412 NE ARG A 92 -11.944 -4.016 -3.094 1.00 0.00 N ATOM 1413 CZ ARG A 92 -13.189 -4.012 -3.556 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -14.154 -3.422 -2.864 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -13.470 -4.599 -4.712 1.00 0.00 N ATOM 0 H ARG A 92 -10.905 -0.843 1.882 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.661 -3.625 1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.866 -3.992 1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.887 -2.564 0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.088 -4.914 -0.386 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.767 -4.889 -0.887 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.027 -2.419 -1.743 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.472 -3.221 -1.836 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.225 -4.479 -3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.941 -2.970 -1.975 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.110 -3.420 -3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.730 -5.054 -5.246 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.426 -4.596 -5.066 1.00 0.00 H new ATOM 1429 N PRO A 93 -8.907 -3.342 0.249 1.00 0.00 N ATOM 1430 CA PRO A 93 -7.778 -3.137 -0.661 1.00 0.00 C ATOM 1431 C PRO A 93 -8.164 -3.345 -2.121 1.00 0.00 C ATOM 1432 O PRO A 93 -8.681 -4.398 -2.493 1.00 0.00 O ATOM 1433 CB PRO A 93 -6.767 -4.198 -0.219 1.00 0.00 C ATOM 1434 CG PRO A 93 -7.593 -5.266 0.413 1.00 0.00 C ATOM 1435 CD PRO A 93 -8.754 -4.563 1.059 1.00 0.00 C ATOM 0 HA PRO A 93 -7.396 -2.118 -0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.202 -4.584 -1.067 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.044 -3.787 0.486 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.937 -5.985 -0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.014 -5.822 1.150 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.656 -5.175 1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.551 -4.329 2.104 1.00 0.00 H new ATOM 1443 N PHE A 94 -7.909 -2.335 -2.946 1.00 0.00 N ATOM 1444 CA PHE A 94 -8.231 -2.407 -4.367 1.00 0.00 C ATOM 1445 C PHE A 94 -7.713 -3.706 -4.976 1.00 0.00 C ATOM 1446 O PHE A 94 -7.102 -4.527 -4.290 1.00 0.00 O ATOM 1447 CB PHE A 94 -7.636 -1.209 -5.109 1.00 0.00 C ATOM 1448 CG PHE A 94 -7.934 0.110 -4.455 1.00 0.00 C ATOM 1449 CD1 PHE A 94 -7.184 0.549 -3.375 1.00 0.00 C ATOM 1450 CD2 PHE A 94 -8.966 0.910 -4.917 1.00 0.00 C ATOM 1451 CE1 PHE A 94 -7.456 1.762 -2.772 1.00 0.00 C ATOM 1452 CE2 PHE A 94 -9.242 2.124 -4.318 1.00 0.00 C ATOM 1453 CZ PHE A 94 -8.487 2.550 -3.243 1.00 0.00 C ATOM 0 H PHE A 94 -7.480 -1.456 -2.655 1.00 0.00 H new ATOM 0 HA PHE A 94 -9.316 -2.385 -4.470 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.556 -1.335 -5.178 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.022 -1.195 -6.128 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.378 -0.064 -3.001 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.562 0.581 -5.755 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.862 2.093 -1.933 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.048 2.739 -4.690 1.00 0.00 H new ATOM 0 HZ PHE A 94 -8.703 3.498 -2.772 1.00 0.00 H new ATOM 1463 N LEU A 95 -7.961 -3.886 -6.269 1.00 0.00 N ATOM 1464 CA LEU A 95 -7.519 -5.085 -6.973 1.00 0.00 C ATOM 1465 C LEU A 95 -6.312 -4.786 -7.856 1.00 0.00 C ATOM 1466 O LEU A 95 -6.417 -4.044 -8.833 1.00 0.00 O ATOM 1467 CB LEU A 95 -8.659 -5.651 -7.821 1.00 0.00 C ATOM 1468 CG LEU A 95 -10.043 -5.651 -7.172 1.00 0.00 C ATOM 1469 CD1 LEU A 95 -11.007 -6.517 -7.969 1.00 0.00 C ATOM 1470 CD2 LEU A 95 -9.957 -6.135 -5.732 1.00 0.00 C ATOM 0 H LEU A 95 -8.466 -3.217 -6.851 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.225 -5.825 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.714 -5.079 -8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.408 -6.676 -8.094 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.421 -4.629 -7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -11.987 -6.505 -7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -11.093 -6.127 -8.983 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.633 -7.540 -8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.952 -6.128 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -9.557 -7.149 -5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -9.301 -5.475 -5.165 1.00 0.00 H new ATOM 1482 N GLU A 96 -5.171 -5.369 -7.506 1.00 0.00 N ATOM 1483 CA GLU A 96 -3.944 -5.164 -8.270 1.00 0.00 C ATOM 1484 C GLU A 96 -2.818 -6.046 -7.736 1.00 0.00 C ATOM 1485 O GLU A 96 -2.716 -6.309 -6.538 1.00 0.00 O ATOM 1486 CB GLU A 96 -3.523 -3.694 -8.216 1.00 0.00 C ATOM 1487 CG GLU A 96 -2.882 -3.291 -6.899 1.00 0.00 C ATOM 1488 CD GLU A 96 -3.906 -2.957 -5.830 1.00 0.00 C ATOM 1489 OE1 GLU A 96 -4.487 -1.854 -5.891 1.00 0.00 O ATOM 1490 OE2 GLU A 96 -4.125 -3.798 -4.934 1.00 0.00 O ATOM 0 H GLU A 96 -5.069 -5.986 -6.700 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.140 -5.441 -9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -2.822 -3.496 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.398 -3.068 -8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -2.245 -4.102 -6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -2.237 -2.427 -7.062 1.00 0.00 H new ATOM 1497 N PRO A 97 -1.953 -6.516 -8.649 1.00 0.00 N ATOM 1498 CA PRO A 97 -0.820 -7.375 -8.295 1.00 0.00 C ATOM 1499 C PRO A 97 0.256 -6.625 -7.517 1.00 0.00 C ATOM 1500 O PRO A 97 0.069 -5.469 -7.137 1.00 0.00 O ATOM 1501 CB PRO A 97 -0.280 -7.826 -9.655 1.00 0.00 C ATOM 1502 CG PRO A 97 -0.697 -6.755 -10.603 1.00 0.00 C ATOM 1503 CD PRO A 97 -2.016 -6.243 -10.094 1.00 0.00 C ATOM 0 HA PRO A 97 -1.119 -8.197 -7.645 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.804 -7.936 -9.634 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.692 -8.793 -9.944 1.00 0.00 H new ATOM 0 HG2 PRO A 97 0.044 -5.956 -10.640 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.795 -7.146 -11.616 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.139 -5.179 -10.297 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.855 -6.757 -10.564 1.00 0.00 H new ATOM 1511 N LYS A 98 1.383 -7.290 -7.284 1.00 0.00 N ATOM 1512 CA LYS A 98 2.490 -6.686 -6.551 1.00 0.00 C ATOM 1513 C LYS A 98 3.783 -6.770 -7.357 1.00 0.00 C ATOM 1514 O LYS A 98 4.711 -5.989 -7.142 1.00 0.00 O ATOM 1515 CB LYS A 98 2.673 -7.378 -5.200 1.00 0.00 C ATOM 1516 CG LYS A 98 3.651 -8.539 -5.237 1.00 0.00 C ATOM 1517 CD LYS A 98 3.061 -9.742 -5.952 1.00 0.00 C ATOM 1518 CE LYS A 98 1.889 -10.330 -5.181 1.00 0.00 C ATOM 1519 NZ LYS A 98 1.414 -11.607 -5.781 1.00 0.00 N ATOM 0 H LYS A 98 1.554 -8.247 -7.592 1.00 0.00 H new ATOM 0 HA LYS A 98 2.253 -5.635 -6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.019 -6.646 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.705 -7.740 -4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 98 4.567 -8.229 -5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.925 -8.818 -4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.731 -9.449 -6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.831 -10.503 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.185 -10.503 -4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.070 -9.611 -5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.615 -11.975 -5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.107 -11.438 -6.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.188 -12.302 -5.776 1.00 0.00 H new ATOM 1533 N LYS A 99 3.837 -7.720 -8.283 1.00 0.00 N ATOM 1534 CA LYS A 99 5.015 -7.904 -9.123 1.00 0.00 C ATOM 1535 C LYS A 99 4.854 -7.177 -10.454 1.00 0.00 C ATOM 1536 O LYS A 99 3.744 -6.812 -10.843 1.00 0.00 O ATOM 1537 CB LYS A 99 5.263 -9.394 -9.369 1.00 0.00 C ATOM 1538 CG LYS A 99 6.733 -9.756 -9.488 1.00 0.00 C ATOM 1539 CD LYS A 99 6.924 -11.112 -10.146 1.00 0.00 C ATOM 1540 CE LYS A 99 8.370 -11.574 -10.061 1.00 0.00 C ATOM 1541 NZ LYS A 99 8.522 -12.997 -10.473 1.00 0.00 N ATOM 0 H LYS A 99 3.078 -8.375 -8.471 1.00 0.00 H new ATOM 0 HA LYS A 99 5.873 -7.481 -8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.822 -9.966 -8.553 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.749 -9.693 -10.283 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.250 -8.993 -10.069 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.187 -9.764 -8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.278 -11.846 -9.664 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.620 -11.057 -11.191 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.991 -10.943 -10.697 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.731 -11.451 -9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.522 -13.274 -10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.949 -13.602 -9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.201 -13.110 -11.456 1.00 0.00 H new ATOM 1555 N HIS A 100 5.968 -6.973 -11.149 1.00 0.00 N ATOM 1556 CA HIS A 100 5.950 -6.291 -12.439 1.00 0.00 C ATOM 1557 C HIS A 100 7.307 -6.396 -13.129 1.00 0.00 C ATOM 1558 O HIS A 100 8.350 -6.243 -12.494 1.00 0.00 O ATOM 1559 CB HIS A 100 5.569 -4.822 -12.258 1.00 0.00 C ATOM 1560 CG HIS A 100 4.971 -4.202 -13.484 1.00 0.00 C ATOM 1561 ND1 HIS A 100 3.612 -4.088 -13.684 1.00 0.00 N ATOM 1562 CD2 HIS A 100 5.557 -3.660 -14.577 1.00 0.00 C ATOM 1563 CE1 HIS A 100 3.387 -3.503 -14.846 1.00 0.00 C ATOM 1564 NE2 HIS A 100 4.551 -3.233 -15.409 1.00 0.00 N ATOM 0 H HIS A 100 6.894 -7.270 -10.841 1.00 0.00 H new ATOM 0 HA HIS A 100 5.204 -6.777 -13.068 1.00 0.00 H new ATOM 0 HB2 HIS A 100 4.859 -4.738 -11.435 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.457 -4.258 -11.972 1.00 0.00 H new ATOM 0 HD1 HIS A 100 2.892 -4.406 -13.035 1.00 0.00 H new ATOM 0 HD2 HIS A 100 6.618 -3.578 -14.761 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.416 -3.283 -15.265 1.00 0.00 H new ATOM 1572 N VAL A 101 7.284 -6.659 -14.431 1.00 0.00 N ATOM 1573 CA VAL A 101 8.512 -6.784 -15.207 1.00 0.00 C ATOM 1574 C VAL A 101 8.521 -5.814 -16.384 1.00 0.00 C ATOM 1575 O VAL A 101 8.012 -6.124 -17.460 1.00 0.00 O ATOM 1576 CB VAL A 101 8.698 -8.218 -15.738 1.00 0.00 C ATOM 1577 CG1 VAL A 101 9.969 -8.321 -16.567 1.00 0.00 C ATOM 1578 CG2 VAL A 101 8.722 -9.213 -14.586 1.00 0.00 C ATOM 0 H VAL A 101 6.429 -6.790 -14.971 1.00 0.00 H new ATOM 0 HA VAL A 101 9.336 -6.543 -14.535 1.00 0.00 H new ATOM 0 HB VAL A 101 7.853 -8.461 -16.382 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.083 -9.341 -16.933 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.908 -7.637 -17.413 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.828 -8.059 -15.950 1.00 0.00 H new ATOM 0 HG21 VAL A 101 8.854 -10.221 -14.979 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.547 -8.974 -13.916 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.782 -9.158 -14.038 1.00 0.00 H new ATOM 1588 N GLY A 102 9.104 -4.639 -16.171 1.00 0.00 N ATOM 1589 CA GLY A 102 9.169 -3.641 -17.223 1.00 0.00 C ATOM 1590 C GLY A 102 7.896 -3.582 -18.044 1.00 0.00 C ATOM 1591 O GLY A 102 7.861 -4.046 -19.183 1.00 0.00 O ATOM 0 H GLY A 102 9.533 -4.360 -15.289 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.358 -2.663 -16.781 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.011 -3.863 -17.879 1.00 0.00 H new ATOM 1595 N GLY A 103 6.845 -3.009 -17.464 1.00 0.00 N ATOM 1596 CA GLY A 103 5.577 -2.903 -18.163 1.00 0.00 C ATOM 1597 C GLY A 103 4.898 -4.246 -18.338 1.00 0.00 C ATOM 1598 O GLY A 103 4.434 -4.846 -17.368 1.00 0.00 O ATOM 0 H GLY A 103 6.849 -2.616 -16.523 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.916 -2.234 -17.611 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.742 -2.452 -19.142 1.00 0.00 H new ATOM 1602 N SER A 104 4.836 -4.720 -19.579 1.00 0.00 N ATOM 1603 CA SER A 104 4.203 -5.998 -19.879 1.00 0.00 C ATOM 1604 C SER A 104 4.723 -7.093 -18.951 1.00 0.00 C ATOM 1605 O SER A 104 5.866 -7.531 -19.069 1.00 0.00 O ATOM 1606 CB SER A 104 4.457 -6.387 -21.337 1.00 0.00 C ATOM 1607 OG SER A 104 5.843 -6.531 -21.593 1.00 0.00 O ATOM 0 H SER A 104 5.217 -4.237 -20.393 1.00 0.00 H new ATOM 0 HA SER A 104 3.130 -5.890 -19.720 1.00 0.00 H new ATOM 0 HB2 SER A 104 3.944 -7.322 -21.562 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.039 -5.627 -21.997 1.00 0.00 H new ATOM 0 HG SER A 104 6.275 -6.961 -20.825 1.00 0.00 H new ATOM 1613 N GLY A 105 3.872 -7.530 -18.027 1.00 0.00 N ATOM 1614 CA GLY A 105 4.262 -8.569 -17.093 1.00 0.00 C ATOM 1615 C GLY A 105 4.759 -9.820 -17.790 1.00 0.00 C ATOM 1616 O GLY A 105 5.075 -9.810 -18.979 1.00 0.00 O ATOM 0 H GLY A 105 2.920 -7.183 -17.909 1.00 0.00 H new ATOM 0 HA2 GLY A 105 5.044 -8.188 -16.436 1.00 0.00 H new ATOM 0 HA3 GLY A 105 3.411 -8.823 -16.461 1.00 0.00 H new ATOM 1620 N PRO A 106 4.835 -10.930 -17.040 1.00 0.00 N ATOM 1621 CA PRO A 106 5.298 -12.215 -17.573 1.00 0.00 C ATOM 1622 C PRO A 106 4.303 -12.828 -18.553 1.00 0.00 C ATOM 1623 O PRO A 106 3.190 -12.329 -18.716 1.00 0.00 O ATOM 1624 CB PRO A 106 5.426 -13.091 -16.324 1.00 0.00 C ATOM 1625 CG PRO A 106 4.475 -12.494 -15.344 1.00 0.00 C ATOM 1626 CD PRO A 106 4.475 -11.016 -15.615 1.00 0.00 C ATOM 0 HA PRO A 106 6.226 -12.113 -18.136 1.00 0.00 H new ATOM 0 HB2 PRO A 106 5.172 -14.129 -16.540 1.00 0.00 H new ATOM 0 HB3 PRO A 106 6.446 -13.086 -15.940 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.476 -12.913 -15.465 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.787 -12.703 -14.321 1.00 0.00 H new ATOM 0 HD2 PRO A 106 3.499 -10.572 -15.420 1.00 0.00 H new ATOM 0 HD3 PRO A 106 5.195 -10.492 -14.986 1.00 0.00 H new ATOM 1634 N SER A 107 4.712 -13.912 -19.204 1.00 0.00 N ATOM 1635 CA SER A 107 3.858 -14.591 -20.171 1.00 0.00 C ATOM 1636 C SER A 107 4.364 -16.005 -20.444 1.00 0.00 C ATOM 1637 O SER A 107 5.550 -16.213 -20.701 1.00 0.00 O ATOM 1638 CB SER A 107 3.800 -13.797 -21.477 1.00 0.00 C ATOM 1639 OG SER A 107 2.569 -14.007 -22.148 1.00 0.00 O ATOM 0 H SER A 107 5.630 -14.339 -19.079 1.00 0.00 H new ATOM 0 HA SER A 107 2.855 -14.658 -19.750 1.00 0.00 H new ATOM 0 HB2 SER A 107 3.926 -12.735 -21.266 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.626 -14.094 -22.124 1.00 0.00 H new ATOM 0 HG SER A 107 2.556 -13.487 -22.979 1.00 0.00 H new ATOM 1645 N SER A 108 3.455 -16.973 -20.387 1.00 0.00 N ATOM 1646 CA SER A 108 3.807 -18.367 -20.624 1.00 0.00 C ATOM 1647 C SER A 108 4.580 -18.518 -21.930 1.00 0.00 C ATOM 1648 O SER A 108 4.127 -18.080 -22.986 1.00 0.00 O ATOM 1649 CB SER A 108 2.549 -19.235 -20.660 1.00 0.00 C ATOM 1650 OG SER A 108 2.874 -20.599 -20.865 1.00 0.00 O ATOM 0 H SER A 108 2.469 -16.817 -20.179 1.00 0.00 H new ATOM 0 HA SER A 108 4.444 -18.698 -19.804 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.001 -19.126 -19.724 1.00 0.00 H new ATOM 0 HB3 SER A 108 1.890 -18.892 -21.457 1.00 0.00 H new ATOM 0 HG SER A 108 2.052 -21.132 -20.882 1.00 0.00 H new ATOM 1656 N GLY A 109 5.752 -19.142 -21.850 1.00 0.00 N ATOM 1657 CA GLY A 109 6.570 -19.340 -23.031 1.00 0.00 C ATOM 1658 C GLY A 109 8.044 -19.469 -22.702 1.00 0.00 C ATOM 1659 O GLY A 109 8.413 -20.099 -21.711 1.00 0.00 O ATOM 0 H GLY A 109 6.149 -19.514 -20.987 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.238 -20.238 -23.553 1.00 0.00 H new ATOM 0 HA3 GLY A 109 6.425 -18.503 -23.714 1.00 0.00 H new TER 1663 GLY A 109