USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 983 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 SER OG : rot 180:sc= 0.0283 USER MOD Set 1.2: A 126 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 1 USER MOD Set 2.2: A 16 THR OG1 : rot 65:sc= 1.18 USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.117 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00345 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0107 X(o=-0.011,f=-0.31) USER MOD Single : A 10 LYS NZ :NH3+ -153:sc= 1.21 (180deg=0.1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -16:sc= 0.176 USER MOD Single : A 36 GLN : amide:sc= -0.455 X(o=-0.46,f=-0.13) USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 1.15 (180deg=1.13) USER MOD Single : A 41 LYS NZ :NH3+ -118:sc= 0.856 (180deg=-0.00705) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.512 K(o=0.51,f=-4!) USER MOD Single : A 57 GLN : amide:sc=-0.00226 X(o=-0.0023,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.057 X(o=-0.057,f=-0.049) USER MOD Single : A 68 GLN : amide:sc=-0.00866 X(o=-0.0087,f=-0.51) USER MOD Single : A 69 THR OG1 : rot -39:sc= 0.291 USER MOD Single : A 71 LYS NZ :NH3+ 158:sc= 1.32 (180deg=0.891) USER MOD Single : A 72 SER OG : rot 80:sc= -0.0453 USER MOD Single : A 74 THR OG1 : rot 150:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc=-0.00921 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0358 X(o=-0.036,f=0.21) USER MOD Single : A 86 CYS SG : rot 140:sc= -0.395 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.22) USER MOD Single : A 105 THR OG1 : rot 82:sc= 0.723 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.0447 USER MOD Single : A 117 LYS NZ :NH3+ 157:sc= -0.13 (180deg=-0.975) USER MOD Single : A 118 SER OG : rot 40:sc= 0.384 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.928 11.358 -18.707 1.00 0.00 N ATOM 2 CA GLY A 1 26.884 10.253 -18.550 1.00 0.00 C ATOM 3 C GLY A 1 26.718 9.633 -17.175 1.00 0.00 C ATOM 4 O GLY A 1 25.633 9.713 -16.605 1.00 0.00 O ATOM 0 H1 GLY A 1 25.536 11.343 -19.670 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.157 11.251 -18.017 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.414 12.263 -18.545 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.718 9.502 -19.322 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.903 10.619 -18.675 1.00 0.00 H new ATOM 8 N SER A 2 27.767 9.011 -16.636 1.00 0.00 N ATOM 9 CA SER A 2 27.759 8.446 -15.297 1.00 0.00 C ATOM 10 C SER A 2 29.170 8.630 -14.746 1.00 0.00 C ATOM 11 O SER A 2 30.130 8.215 -15.400 1.00 0.00 O ATOM 12 CB SER A 2 27.318 6.974 -15.369 1.00 0.00 C ATOM 13 OG SER A 2 26.953 6.473 -14.097 1.00 0.00 O ATOM 0 H SER A 2 28.653 8.887 -17.126 1.00 0.00 H new ATOM 0 HA SER A 2 27.051 8.938 -14.630 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.474 6.880 -16.053 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.129 6.371 -15.778 1.00 0.00 H new ATOM 0 HG SER A 2 26.677 5.536 -14.181 1.00 0.00 H new ATOM 19 N SER A 3 29.306 9.286 -13.595 1.00 0.00 N ATOM 20 CA SER A 3 30.577 9.454 -12.903 1.00 0.00 C ATOM 21 C SER A 3 30.392 9.012 -11.451 1.00 0.00 C ATOM 22 O SER A 3 30.505 7.813 -11.179 1.00 0.00 O ATOM 23 CB SER A 3 31.114 10.879 -13.111 1.00 0.00 C ATOM 24 OG SER A 3 30.109 11.850 -12.886 1.00 0.00 O ATOM 0 H SER A 3 28.521 9.722 -13.111 1.00 0.00 H new ATOM 0 HA SER A 3 31.360 8.818 -13.316 1.00 0.00 H new ATOM 0 HB2 SER A 3 31.950 11.056 -12.435 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.498 10.980 -14.126 1.00 0.00 H new ATOM 0 HG SER A 3 30.482 12.745 -13.025 1.00 0.00 H new ATOM 30 N GLY A 4 30.052 9.914 -10.533 1.00 0.00 N ATOM 31 CA GLY A 4 29.669 9.540 -9.179 1.00 0.00 C ATOM 32 C GLY A 4 28.163 9.283 -9.113 1.00 0.00 C ATOM 33 O GLY A 4 27.428 9.644 -10.041 1.00 0.00 O ATOM 0 H GLY A 4 30.035 10.919 -10.708 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.212 8.646 -8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.942 10.333 -8.483 1.00 0.00 H new ATOM 37 N SER A 5 27.698 8.672 -8.023 1.00 0.00 N ATOM 38 CA SER A 5 26.281 8.500 -7.748 1.00 0.00 C ATOM 39 C SER A 5 25.799 9.573 -6.769 1.00 0.00 C ATOM 40 O SER A 5 24.972 10.397 -7.169 1.00 0.00 O ATOM 41 CB SER A 5 26.010 7.067 -7.279 1.00 0.00 C ATOM 42 OG SER A 5 25.904 6.216 -8.409 1.00 0.00 O ATOM 0 H SER A 5 28.305 8.281 -7.302 1.00 0.00 H new ATOM 0 HA SER A 5 25.699 8.640 -8.659 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.815 6.727 -6.628 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.090 7.031 -6.695 1.00 0.00 H new ATOM 0 HG SER A 5 25.732 5.298 -8.112 1.00 0.00 H new ATOM 48 N SER A 6 26.319 9.577 -5.537 1.00 0.00 N ATOM 49 CA SER A 6 25.842 10.319 -4.367 1.00 0.00 C ATOM 50 C SER A 6 24.557 9.718 -3.800 1.00 0.00 C ATOM 51 O SER A 6 23.632 9.349 -4.530 1.00 0.00 O ATOM 52 CB SER A 6 25.629 11.817 -4.623 1.00 0.00 C ATOM 53 OG SER A 6 26.825 12.446 -5.025 1.00 0.00 O ATOM 0 H SER A 6 27.145 9.021 -5.316 1.00 0.00 H new ATOM 0 HA SER A 6 26.646 10.225 -3.637 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.869 11.952 -5.393 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.253 12.292 -3.717 1.00 0.00 H new ATOM 0 HG SER A 6 26.657 13.399 -5.182 1.00 0.00 H new ATOM 59 N GLY A 7 24.501 9.673 -2.474 1.00 0.00 N ATOM 60 CA GLY A 7 23.352 9.370 -1.647 1.00 0.00 C ATOM 61 C GLY A 7 23.264 10.521 -0.657 1.00 0.00 C ATOM 62 O GLY A 7 24.085 10.604 0.261 1.00 0.00 O ATOM 0 H GLY A 7 25.329 9.864 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.444 9.294 -2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.476 8.417 -1.134 1.00 0.00 H new ATOM 66 N MET A 8 22.379 11.483 -0.924 1.00 0.00 N ATOM 67 CA MET A 8 22.160 12.632 -0.048 1.00 0.00 C ATOM 68 C MET A 8 20.720 13.156 -0.122 1.00 0.00 C ATOM 69 O MET A 8 20.422 14.211 0.438 1.00 0.00 O ATOM 70 CB MET A 8 23.200 13.734 -0.356 1.00 0.00 C ATOM 71 CG MET A 8 24.161 13.910 0.825 1.00 0.00 C ATOM 72 SD MET A 8 23.367 14.481 2.348 1.00 0.00 S ATOM 73 CE MET A 8 24.392 13.616 3.562 1.00 0.00 C ATOM 0 H MET A 8 21.792 11.486 -1.758 1.00 0.00 H new ATOM 0 HA MET A 8 22.301 12.306 0.982 1.00 0.00 H new ATOM 0 HB2 MET A 8 23.761 13.472 -1.253 1.00 0.00 H new ATOM 0 HB3 MET A 8 22.691 14.676 -0.562 1.00 0.00 H new ATOM 0 HG2 MET A 8 24.656 12.959 1.021 1.00 0.00 H new ATOM 0 HG3 MET A 8 24.937 14.622 0.544 1.00 0.00 H new ATOM 0 HE1 MET A 8 24.044 13.853 4.567 1.00 0.00 H new ATOM 0 HE2 MET A 8 24.321 12.541 3.398 1.00 0.00 H new ATOM 0 HE3 MET A 8 25.429 13.932 3.454 1.00 0.00 H new ATOM 83 N ASN A 9 19.811 12.467 -0.822 1.00 0.00 N ATOM 84 CA ASN A 9 18.401 12.836 -0.867 1.00 0.00 C ATOM 85 C ASN A 9 17.548 11.570 -0.970 1.00 0.00 C ATOM 86 O ASN A 9 16.850 11.361 -1.969 1.00 0.00 O ATOM 87 CB ASN A 9 18.148 13.836 -2.014 1.00 0.00 C ATOM 88 CG ASN A 9 16.738 14.408 -1.956 1.00 0.00 C ATOM 89 OD1 ASN A 9 16.304 14.889 -0.913 1.00 0.00 O ATOM 90 ND2 ASN A 9 16.005 14.446 -3.052 1.00 0.00 N ATOM 0 H ASN A 9 20.038 11.638 -1.372 1.00 0.00 H new ATOM 0 HA ASN A 9 18.112 13.345 0.052 1.00 0.00 H new ATOM 0 HB2 ASN A 9 18.873 14.648 -1.957 1.00 0.00 H new ATOM 0 HB3 ASN A 9 18.301 13.339 -2.972 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.080 14.874 -3.032 1.00 0.00 H new ATOM 0 HD22 ASN A 9 16.364 14.047 -3.920 1.00 0.00 H new ATOM 97 N LYS A 10 17.646 10.671 0.014 1.00 0.00 N ATOM 98 CA LYS A 10 16.819 9.461 0.065 1.00 0.00 C ATOM 99 C LYS A 10 15.447 9.779 0.663 1.00 0.00 C ATOM 100 O LYS A 10 15.407 10.411 1.723 1.00 0.00 O ATOM 101 CB LYS A 10 17.493 8.371 0.912 1.00 0.00 C ATOM 102 CG LYS A 10 18.402 7.477 0.064 1.00 0.00 C ATOM 103 CD LYS A 10 17.667 6.412 -0.759 1.00 0.00 C ATOM 104 CE LYS A 10 18.745 5.602 -1.476 1.00 0.00 C ATOM 105 NZ LYS A 10 18.219 4.428 -2.187 1.00 0.00 N ATOM 0 H LYS A 10 18.297 10.760 0.794 1.00 0.00 H new ATOM 0 HA LYS A 10 16.700 9.097 -0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 10 18.078 8.836 1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 10 16.730 7.761 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 10 18.978 8.107 -0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 10 19.116 6.980 0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.064 5.772 -0.115 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.988 6.875 -1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 10 19.260 6.247 -2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 10 19.487 5.274 -0.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 18.960 3.701 -2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.403 4.045 -1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.921 4.706 -3.144 1.00 0.00 H new ATOM 119 N PRO A 11 14.359 9.308 0.028 1.00 0.00 N ATOM 120 CA PRO A 11 13.016 9.304 0.584 1.00 0.00 C ATOM 121 C PRO A 11 12.866 8.190 1.644 1.00 0.00 C ATOM 122 O PRO A 11 13.837 7.799 2.303 1.00 0.00 O ATOM 123 CB PRO A 11 12.096 9.192 -0.642 1.00 0.00 C ATOM 124 CG PRO A 11 12.912 8.400 -1.658 1.00 0.00 C ATOM 125 CD PRO A 11 14.360 8.656 -1.275 1.00 0.00 C ATOM 0 HA PRO A 11 12.757 10.202 1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.165 8.681 -0.395 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.827 10.175 -1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.673 7.337 -1.615 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.707 8.732 -2.676 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.917 7.720 -1.235 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.848 9.286 -2.019 1.00 0.00 H new ATOM 133 N LEU A 12 11.632 7.732 1.862 1.00 0.00 N ATOM 134 CA LEU A 12 11.192 6.842 2.934 1.00 0.00 C ATOM 135 C LEU A 12 11.963 5.521 2.887 1.00 0.00 C ATOM 136 O LEU A 12 12.139 4.941 1.818 1.00 0.00 O ATOM 137 CB LEU A 12 9.690 6.526 2.778 1.00 0.00 C ATOM 138 CG LEU A 12 8.659 7.673 2.785 1.00 0.00 C ATOM 139 CD1 LEU A 12 8.768 8.528 4.049 1.00 0.00 C ATOM 140 CD2 LEU A 12 8.726 8.582 1.553 1.00 0.00 C ATOM 0 H LEU A 12 10.860 7.993 1.249 1.00 0.00 H new ATOM 0 HA LEU A 12 11.377 7.345 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.568 5.985 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.418 5.839 3.580 1.00 0.00 H new ATOM 0 HG LEU A 12 7.693 7.169 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.025 9.325 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.592 7.905 4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.765 8.964 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.969 9.362 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.714 9.039 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.543 7.992 0.655 1.00 0.00 H new ATOM 152 N THR A 13 12.394 5.006 4.031 1.00 0.00 N ATOM 153 CA THR A 13 13.043 3.709 4.106 1.00 0.00 C ATOM 154 C THR A 13 11.990 2.595 4.033 1.00 0.00 C ATOM 155 O THR A 13 10.861 2.789 4.489 1.00 0.00 O ATOM 156 CB THR A 13 13.825 3.590 5.421 1.00 0.00 C ATOM 157 OG1 THR A 13 12.992 3.962 6.498 1.00 0.00 O ATOM 158 CG2 THR A 13 15.085 4.454 5.409 1.00 0.00 C ATOM 0 H THR A 13 12.302 5.477 4.931 1.00 0.00 H new ATOM 0 HA THR A 13 13.733 3.610 3.268 1.00 0.00 H new ATOM 0 HB THR A 13 14.140 2.553 5.537 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.490 3.885 7.339 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.611 4.343 6.357 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.735 4.138 4.593 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.808 5.499 5.268 1.00 0.00 H new ATOM 166 N PRO A 14 12.359 1.389 3.576 1.00 0.00 N ATOM 167 CA PRO A 14 11.493 0.221 3.597 1.00 0.00 C ATOM 168 C PRO A 14 10.979 -0.117 5.006 1.00 0.00 C ATOM 169 O PRO A 14 9.881 -0.659 5.146 1.00 0.00 O ATOM 170 CB PRO A 14 12.302 -0.934 2.991 1.00 0.00 C ATOM 171 CG PRO A 14 13.639 -0.348 2.527 1.00 0.00 C ATOM 172 CD PRO A 14 13.617 1.130 2.916 1.00 0.00 C ATOM 0 HA PRO A 14 10.591 0.415 3.017 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.461 -1.722 3.727 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.766 -1.383 2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.475 -0.863 3.001 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.762 -0.465 1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.452 1.364 3.577 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.723 1.760 2.033 1.00 0.00 H new ATOM 180 N SER A 15 11.733 0.197 6.059 1.00 0.00 N ATOM 181 CA SER A 15 11.356 -0.095 7.440 1.00 0.00 C ATOM 182 C SER A 15 10.479 0.994 8.080 1.00 0.00 C ATOM 183 O SER A 15 10.030 0.824 9.218 1.00 0.00 O ATOM 184 CB SER A 15 12.632 -0.345 8.248 1.00 0.00 C ATOM 185 OG SER A 15 13.411 -1.350 7.617 1.00 0.00 O ATOM 0 H SER A 15 12.634 0.667 5.975 1.00 0.00 H new ATOM 0 HA SER A 15 10.731 -0.988 7.441 1.00 0.00 H new ATOM 0 HB2 SER A 15 13.208 0.577 8.330 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.377 -0.653 9.262 1.00 0.00 H new ATOM 0 HG SER A 15 14.227 -1.505 8.136 1.00 0.00 H new ATOM 191 N THR A 16 10.199 2.099 7.385 1.00 0.00 N ATOM 192 CA THR A 16 9.211 3.076 7.829 1.00 0.00 C ATOM 193 C THR A 16 7.828 2.396 7.858 1.00 0.00 C ATOM 194 O THR A 16 7.496 1.644 6.944 1.00 0.00 O ATOM 195 CB THR A 16 9.287 4.278 6.869 1.00 0.00 C ATOM 196 OG1 THR A 16 10.521 4.952 7.032 1.00 0.00 O ATOM 197 CG2 THR A 16 8.213 5.325 7.130 1.00 0.00 C ATOM 0 H THR A 16 10.651 2.338 6.502 1.00 0.00 H new ATOM 0 HA THR A 16 9.400 3.443 8.838 1.00 0.00 H new ATOM 0 HB THR A 16 9.159 3.858 5.872 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.255 4.360 6.766 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.323 6.144 6.420 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.228 4.873 7.013 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.318 5.708 8.145 1.00 0.00 H new ATOM 205 N TYR A 17 7.012 2.632 8.891 1.00 0.00 N ATOM 206 CA TYR A 17 5.624 2.154 8.933 1.00 0.00 C ATOM 207 C TYR A 17 4.723 3.054 8.093 1.00 0.00 C ATOM 208 O TYR A 17 5.008 4.238 7.937 1.00 0.00 O ATOM 209 CB TYR A 17 5.117 2.110 10.377 1.00 0.00 C ATOM 210 CG TYR A 17 5.488 0.822 11.074 1.00 0.00 C ATOM 211 CD1 TYR A 17 6.796 0.635 11.554 1.00 0.00 C ATOM 212 CD2 TYR A 17 4.535 -0.205 11.203 1.00 0.00 C ATOM 213 CE1 TYR A 17 7.145 -0.561 12.205 1.00 0.00 C ATOM 214 CE2 TYR A 17 4.876 -1.403 11.849 1.00 0.00 C ATOM 215 CZ TYR A 17 6.177 -1.579 12.366 1.00 0.00 C ATOM 216 OH TYR A 17 6.471 -2.731 13.031 1.00 0.00 O ATOM 0 H TYR A 17 7.293 3.158 9.719 1.00 0.00 H new ATOM 0 HA TYR A 17 5.597 1.146 8.519 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.530 2.953 10.931 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.033 2.225 10.383 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.534 1.412 11.422 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.540 -0.071 10.804 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.148 -0.702 12.580 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.143 -2.190 11.950 1.00 0.00 H new ATOM 0 HH TYR A 17 5.682 -3.313 13.042 1.00 0.00 H new ATOM 226 N ILE A 18 3.578 2.550 7.620 1.00 0.00 N ATOM 227 CA ILE A 18 2.689 3.380 6.799 1.00 0.00 C ATOM 228 C ILE A 18 2.145 4.559 7.612 1.00 0.00 C ATOM 229 O ILE A 18 2.140 5.693 7.153 1.00 0.00 O ATOM 230 CB ILE A 18 1.512 2.609 6.170 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.678 1.090 6.019 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.212 3.247 4.806 1.00 0.00 C ATOM 233 CD1 ILE A 18 2.721 0.710 4.978 1.00 0.00 C ATOM 0 H ILE A 18 3.251 1.598 7.785 1.00 0.00 H new ATOM 0 HA ILE A 18 3.308 3.737 5.976 1.00 0.00 H new ATOM 0 HB ILE A 18 0.686 2.699 6.876 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.960 0.663 6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.720 0.650 5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.381 2.722 4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.947 4.295 4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.094 3.177 4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.794 -0.376 4.916 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.429 1.110 4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.688 1.123 5.264 1.00 0.00 H new ATOM 245 N ARG A 19 1.744 4.318 8.861 1.00 0.00 N ATOM 246 CA ARG A 19 1.294 5.358 9.791 1.00 0.00 C ATOM 247 C ARG A 19 2.426 6.276 10.268 1.00 0.00 C ATOM 248 O ARG A 19 2.205 7.136 11.119 1.00 0.00 O ATOM 249 CB ARG A 19 0.587 4.702 10.982 1.00 0.00 C ATOM 250 CG ARG A 19 1.438 3.613 11.648 1.00 0.00 C ATOM 251 CD ARG A 19 1.022 3.416 13.101 1.00 0.00 C ATOM 252 NE ARG A 19 1.768 4.349 13.966 1.00 0.00 N ATOM 253 CZ ARG A 19 2.355 4.006 15.114 1.00 0.00 C ATOM 254 NH1 ARG A 19 2.000 2.889 15.728 1.00 0.00 N ATOM 255 NH2 ARG A 19 3.309 4.778 15.610 1.00 0.00 N ATOM 0 H ARG A 19 1.722 3.381 9.262 1.00 0.00 H new ATOM 0 HA ARG A 19 0.598 6.000 9.250 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.340 5.466 11.719 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.354 4.267 10.646 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.329 2.675 11.103 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.492 3.888 11.601 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.050 3.585 13.208 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.215 2.388 13.408 1.00 0.00 H new ATOM 0 HE ARG A 19 1.840 5.321 13.667 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.279 2.292 15.324 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.448 2.625 16.606 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.588 5.625 15.115 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.765 4.526 16.487 1.00 0.00 H new ATOM 269 N ASN A 20 3.662 6.055 9.821 1.00 0.00 N ATOM 270 CA ASN A 20 4.760 7.003 9.997 1.00 0.00 C ATOM 271 C ASN A 20 4.788 8.002 8.833 1.00 0.00 C ATOM 272 O ASN A 20 5.384 9.070 8.954 1.00 0.00 O ATOM 273 CB ASN A 20 6.087 6.235 10.084 1.00 0.00 C ATOM 274 CG ASN A 20 7.230 7.085 10.623 1.00 0.00 C ATOM 275 OD1 ASN A 20 7.863 7.844 9.899 1.00 0.00 O ATOM 276 ND2 ASN A 20 7.524 6.959 11.900 1.00 0.00 N ATOM 0 H ASN A 20 3.931 5.206 9.323 1.00 0.00 H new ATOM 0 HA ASN A 20 4.613 7.562 10.921 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.955 5.364 10.725 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.352 5.865 9.094 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.290 7.499 12.303 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.985 6.322 12.487 1.00 0.00 H new ATOM 283 N LEU A 21 4.163 7.677 7.693 1.00 0.00 N ATOM 284 CA LEU A 21 4.107 8.559 6.537 1.00 0.00 C ATOM 285 C LEU A 21 3.337 9.812 6.931 1.00 0.00 C ATOM 286 O LEU A 21 2.174 9.741 7.335 1.00 0.00 O ATOM 287 CB LEU A 21 3.487 7.869 5.301 1.00 0.00 C ATOM 288 CG LEU A 21 4.230 6.617 4.774 1.00 0.00 C ATOM 289 CD1 LEU A 21 3.770 6.293 3.348 1.00 0.00 C ATOM 290 CD2 LEU A 21 5.742 6.843 4.753 1.00 0.00 C ATOM 0 H LEU A 21 3.682 6.788 7.554 1.00 0.00 H new ATOM 0 HA LEU A 21 5.121 8.827 6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.464 7.583 5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.430 8.599 4.494 1.00 0.00 H new ATOM 0 HG LEU A 21 3.998 5.789 5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.299 5.411 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.697 6.099 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.986 7.138 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.239 5.948 4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.975 7.686 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.092 7.057 5.763 1.00 0.00 H new ATOM 302 N ASN A 22 4.004 10.966 6.844 1.00 0.00 N ATOM 303 CA ASN A 22 3.395 12.255 7.157 1.00 0.00 C ATOM 304 C ASN A 22 2.192 12.466 6.246 1.00 0.00 C ATOM 305 O ASN A 22 2.204 11.999 5.108 1.00 0.00 O ATOM 306 CB ASN A 22 4.421 13.389 6.966 1.00 0.00 C ATOM 307 CG ASN A 22 5.025 13.840 8.286 1.00 0.00 C ATOM 308 OD1 ASN A 22 5.305 13.030 9.166 1.00 0.00 O ATOM 309 ND2 ASN A 22 5.206 15.131 8.489 1.00 0.00 N ATOM 0 H ASN A 22 4.980 11.030 6.555 1.00 0.00 H new ATOM 0 HA ASN A 22 3.069 12.265 8.197 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.215 13.051 6.301 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.938 14.237 6.480 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.580 15.460 9.379 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.972 15.800 7.756 1.00 0.00 H new ATOM 316 N VAL A 23 1.178 13.207 6.686 1.00 0.00 N ATOM 317 CA VAL A 23 -0.057 13.357 5.931 1.00 0.00 C ATOM 318 C VAL A 23 0.190 13.956 4.536 1.00 0.00 C ATOM 319 O VAL A 23 -0.517 13.597 3.603 1.00 0.00 O ATOM 320 CB VAL A 23 -1.074 14.115 6.806 1.00 0.00 C ATOM 321 CG1 VAL A 23 -0.688 15.574 7.086 1.00 0.00 C ATOM 322 CG2 VAL A 23 -2.481 14.039 6.217 1.00 0.00 C ATOM 0 H VAL A 23 1.191 13.716 7.570 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.494 12.384 5.706 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.062 13.604 7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.453 16.040 7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.270 15.604 7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.606 16.116 6.144 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.174 14.584 6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.483 14.483 5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.792 12.996 6.150 1.00 0.00 H new ATOM 332 N GLY A 24 1.233 14.769 4.322 1.00 0.00 N ATOM 333 CA GLY A 24 1.554 15.240 2.981 1.00 0.00 C ATOM 334 C GLY A 24 2.206 14.164 2.114 1.00 0.00 C ATOM 335 O GLY A 24 2.026 14.200 0.898 1.00 0.00 O ATOM 0 H GLY A 24 1.858 15.107 5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.642 15.588 2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.224 16.097 3.053 1.00 0.00 H new ATOM 339 N ILE A 25 2.932 13.206 2.696 1.00 0.00 N ATOM 340 CA ILE A 25 3.383 12.011 1.991 1.00 0.00 C ATOM 341 C ILE A 25 2.141 11.207 1.617 1.00 0.00 C ATOM 342 O ILE A 25 1.987 10.828 0.465 1.00 0.00 O ATOM 343 CB ILE A 25 4.371 11.188 2.827 1.00 0.00 C ATOM 344 CG1 ILE A 25 5.570 12.041 3.265 1.00 0.00 C ATOM 345 CG2 ILE A 25 4.854 9.959 2.043 1.00 0.00 C ATOM 346 CD1 ILE A 25 6.351 12.764 2.166 1.00 0.00 C ATOM 0 H ILE A 25 3.223 13.241 3.673 1.00 0.00 H new ATOM 0 HA ILE A 25 3.932 12.291 1.092 1.00 0.00 H new ATOM 0 HB ILE A 25 3.847 10.849 3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.212 12.788 3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.264 11.397 3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.554 9.389 2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.000 9.331 1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.351 10.283 1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.170 13.329 2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.754 12.033 1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.686 13.446 1.636 1.00 0.00 H new ATOM 358 N LEU A 26 1.236 10.981 2.571 1.00 0.00 N ATOM 359 CA LEU A 26 -0.016 10.263 2.356 1.00 0.00 C ATOM 360 C LEU A 26 -0.856 10.915 1.252 1.00 0.00 C ATOM 361 O LEU A 26 -1.436 10.198 0.443 1.00 0.00 O ATOM 362 CB LEU A 26 -0.775 10.160 3.690 1.00 0.00 C ATOM 363 CG LEU A 26 -0.212 9.098 4.656 1.00 0.00 C ATOM 364 CD1 LEU A 26 -0.941 9.176 5.997 1.00 0.00 C ATOM 365 CD2 LEU A 26 -0.357 7.669 4.120 1.00 0.00 C ATOM 0 H LEU A 26 1.358 11.299 3.532 1.00 0.00 H new ATOM 0 HA LEU A 26 0.202 9.254 2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.754 11.132 4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.820 9.930 3.484 1.00 0.00 H new ATOM 0 HG LEU A 26 0.850 9.316 4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.538 8.423 6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.801 10.166 6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.005 8.994 5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.057 6.966 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.412 7.446 3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.181 7.578 3.176 1.00 0.00 H new ATOM 377 N ARG A 27 -0.888 12.250 1.165 1.00 0.00 N ATOM 378 CA ARG A 27 -1.570 12.965 0.087 1.00 0.00 C ATOM 379 C ARG A 27 -0.829 12.877 -1.248 1.00 0.00 C ATOM 380 O ARG A 27 -1.478 12.765 -2.285 1.00 0.00 O ATOM 381 CB ARG A 27 -1.834 14.426 0.482 1.00 0.00 C ATOM 382 CG ARG A 27 -2.898 14.546 1.590 1.00 0.00 C ATOM 383 CD ARG A 27 -3.947 15.619 1.284 1.00 0.00 C ATOM 384 NE ARG A 27 -3.333 16.953 1.294 1.00 0.00 N ATOM 385 CZ ARG A 27 -3.931 18.120 1.051 1.00 0.00 C ATOM 386 NH1 ARG A 27 -5.219 18.182 0.725 1.00 0.00 N ATOM 387 NH2 ARG A 27 -3.203 19.225 1.154 1.00 0.00 N ATOM 0 H ARG A 27 -0.439 12.864 1.844 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.528 12.467 -0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.904 14.882 0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.161 14.984 -0.395 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.394 13.584 1.718 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.408 14.781 2.535 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.399 15.427 0.311 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.748 15.575 2.022 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.337 16.991 1.511 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.770 17.326 0.657 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.656 19.085 0.543 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.218 19.165 1.412 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.628 20.135 0.975 1.00 0.00 H new ATOM 401 N LYS A 28 0.508 12.902 -1.256 1.00 0.00 N ATOM 402 CA LYS A 28 1.285 12.648 -2.474 1.00 0.00 C ATOM 403 C LYS A 28 0.951 11.267 -3.000 1.00 0.00 C ATOM 404 O LYS A 28 0.653 11.098 -4.175 1.00 0.00 O ATOM 405 CB LYS A 28 2.786 12.766 -2.205 1.00 0.00 C ATOM 406 CG LYS A 28 3.223 14.220 -2.322 1.00 0.00 C ATOM 407 CD LYS A 28 3.326 14.712 -3.782 1.00 0.00 C ATOM 408 CE LYS A 28 4.750 15.133 -4.169 1.00 0.00 C ATOM 409 NZ LYS A 28 5.003 16.575 -3.955 1.00 0.00 N ATOM 0 H LYS A 28 1.076 13.096 -0.431 1.00 0.00 H new ATOM 0 HA LYS A 28 1.023 13.397 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.016 12.387 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.340 12.153 -2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.515 14.849 -1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.191 14.341 -1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.992 13.920 -4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.651 15.556 -3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.466 14.553 -3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.923 14.891 -5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.979 16.801 -4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.341 17.133 -4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.867 16.806 -2.950 1.00 0.00 H new ATOM 423 N LEU A 29 0.992 10.284 -2.108 1.00 0.00 N ATOM 424 CA LEU A 29 0.540 8.935 -2.388 1.00 0.00 C ATOM 425 C LEU A 29 -0.873 8.947 -2.959 1.00 0.00 C ATOM 426 O LEU A 29 -1.054 8.385 -4.029 1.00 0.00 O ATOM 427 CB LEU A 29 0.674 8.048 -1.142 1.00 0.00 C ATOM 428 CG LEU A 29 2.015 7.298 -1.051 1.00 0.00 C ATOM 429 CD1 LEU A 29 2.050 6.131 -2.043 1.00 0.00 C ATOM 430 CD2 LEU A 29 3.269 8.161 -1.256 1.00 0.00 C ATOM 0 H LEU A 29 1.345 10.408 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 29 1.181 8.497 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.554 8.667 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.138 7.321 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 29 2.054 6.945 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.006 5.614 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.241 5.436 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.927 6.512 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.158 7.536 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.239 8.618 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.301 8.942 -0.496 1.00 0.00 H new ATOM 442 N SER A 30 -1.862 9.584 -2.323 1.00 0.00 N ATOM 443 CA SER A 30 -3.228 9.552 -2.840 1.00 0.00 C ATOM 444 C SER A 30 -3.371 10.230 -4.202 1.00 0.00 C ATOM 445 O SER A 30 -4.322 9.930 -4.915 1.00 0.00 O ATOM 446 CB SER A 30 -4.229 10.085 -1.806 1.00 0.00 C ATOM 447 OG SER A 30 -4.162 11.482 -1.590 1.00 0.00 O ATOM 0 H SER A 30 -1.743 10.119 -1.463 1.00 0.00 H new ATOM 0 HA SER A 30 -3.472 8.504 -3.016 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.238 9.828 -2.130 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.059 9.575 -0.858 1.00 0.00 H new ATOM 0 HG SER A 30 -3.321 11.829 -1.953 1.00 0.00 H new ATOM 453 N ASP A 31 -2.469 11.128 -4.594 1.00 0.00 N ATOM 454 CA ASP A 31 -2.479 11.736 -5.925 1.00 0.00 C ATOM 455 C ASP A 31 -2.151 10.693 -7.004 1.00 0.00 C ATOM 456 O ASP A 31 -2.520 10.869 -8.162 1.00 0.00 O ATOM 457 CB ASP A 31 -1.482 12.902 -5.930 1.00 0.00 C ATOM 458 CG ASP A 31 -1.626 13.877 -7.098 1.00 0.00 C ATOM 459 OD1 ASP A 31 -2.755 14.129 -7.583 1.00 0.00 O ATOM 460 OD2 ASP A 31 -0.590 14.502 -7.434 1.00 0.00 O ATOM 0 H ASP A 31 -1.709 11.456 -3.997 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.473 12.118 -6.158 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.592 13.457 -4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.471 12.495 -5.940 1.00 0.00 H new ATOM 465 N PHE A 32 -1.482 9.593 -6.625 1.00 0.00 N ATOM 466 CA PHE A 32 -1.136 8.458 -7.481 1.00 0.00 C ATOM 467 C PHE A 32 -1.952 7.185 -7.198 1.00 0.00 C ATOM 468 O PHE A 32 -2.057 6.337 -8.083 1.00 0.00 O ATOM 469 CB PHE A 32 0.357 8.131 -7.319 1.00 0.00 C ATOM 470 CG PHE A 32 1.374 9.209 -7.665 1.00 0.00 C ATOM 471 CD1 PHE A 32 1.047 10.314 -8.479 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.697 9.063 -7.200 1.00 0.00 C ATOM 473 CE1 PHE A 32 2.034 11.251 -8.825 1.00 0.00 C ATOM 474 CE2 PHE A 32 3.692 9.983 -7.576 1.00 0.00 C ATOM 475 CZ PHE A 32 3.358 11.075 -8.394 1.00 0.00 C ATOM 0 H PHE A 32 -1.154 9.469 -5.667 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.374 8.766 -8.499 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.523 7.838 -6.282 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.575 7.259 -7.935 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.036 10.439 -8.837 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.948 8.238 -6.550 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.773 12.110 -9.425 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.709 9.850 -7.237 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.121 11.780 -8.691 1.00 0.00 H new ATOM 485 N ILE A 33 -2.465 7.002 -5.978 1.00 0.00 N ATOM 486 CA ILE A 33 -3.121 5.771 -5.526 1.00 0.00 C ATOM 487 C ILE A 33 -4.647 5.899 -5.563 1.00 0.00 C ATOM 488 O ILE A 33 -5.334 4.880 -5.651 1.00 0.00 O ATOM 489 CB ILE A 33 -2.591 5.382 -4.124 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.066 5.122 -4.107 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.263 4.140 -3.529 1.00 0.00 C ATOM 492 CD1 ILE A 33 -0.640 3.869 -4.884 1.00 0.00 C ATOM 0 H ILE A 33 -2.435 7.724 -5.259 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.873 4.963 -6.215 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.837 6.254 -3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.555 5.989 -4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.735 5.026 -3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.838 3.932 -2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.334 4.318 -3.431 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.095 3.286 -4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.442 3.755 -4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.121 2.992 -4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.938 3.969 -5.928 1.00 0.00 H new ATOM 504 N ASP A 34 -5.198 7.117 -5.531 1.00 0.00 N ATOM 505 CA ASP A 34 -6.585 7.322 -5.928 1.00 0.00 C ATOM 506 C ASP A 34 -6.776 6.882 -7.382 1.00 0.00 C ATOM 507 O ASP A 34 -7.573 5.965 -7.607 1.00 0.00 O ATOM 508 CB ASP A 34 -7.072 8.758 -5.682 1.00 0.00 C ATOM 509 CG ASP A 34 -8.506 8.966 -6.169 1.00 0.00 C ATOM 510 OD1 ASP A 34 -9.262 7.983 -6.323 1.00 0.00 O ATOM 511 OD2 ASP A 34 -8.941 10.132 -6.300 1.00 0.00 O ATOM 0 H ASP A 34 -4.708 7.962 -5.238 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.213 6.698 -5.292 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.014 8.983 -4.617 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.410 9.458 -6.192 1.00 0.00 H new ATOM 516 N PRO A 35 -6.069 7.469 -8.372 1.00 0.00 N ATOM 517 CA PRO A 35 -6.270 7.103 -9.764 1.00 0.00 C ATOM 518 C PRO A 35 -5.962 5.626 -10.035 1.00 0.00 C ATOM 519 O PRO A 35 -5.250 4.961 -9.280 1.00 0.00 O ATOM 520 CB PRO A 35 -5.377 8.045 -10.577 1.00 0.00 C ATOM 521 CG PRO A 35 -4.310 8.499 -9.602 1.00 0.00 C ATOM 522 CD PRO A 35 -5.088 8.548 -8.294 1.00 0.00 C ATOM 0 HA PRO A 35 -7.317 7.213 -10.048 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.939 7.534 -11.434 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -5.944 8.891 -10.966 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.474 7.801 -9.555 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.898 9.472 -9.870 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.425 8.412 -7.440 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.578 9.513 -8.167 1.00 0.00 H new ATOM 530 N GLN A 36 -6.512 5.129 -11.147 1.00 0.00 N ATOM 531 CA GLN A 36 -6.453 3.733 -11.580 1.00 0.00 C ATOM 532 C GLN A 36 -6.871 2.734 -10.485 1.00 0.00 C ATOM 533 O GLN A 36 -6.424 1.585 -10.514 1.00 0.00 O ATOM 534 CB GLN A 36 -5.071 3.403 -12.172 1.00 0.00 C ATOM 535 CG GLN A 36 -4.615 4.343 -13.301 1.00 0.00 C ATOM 536 CD GLN A 36 -3.429 5.227 -12.916 1.00 0.00 C ATOM 537 OE1 GLN A 36 -2.416 4.754 -12.406 1.00 0.00 O ATOM 538 NE2 GLN A 36 -3.498 6.521 -13.204 1.00 0.00 N ATOM 0 H GLN A 36 -7.033 5.717 -11.798 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.196 3.617 -12.369 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.331 3.433 -11.372 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.088 2.382 -12.552 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.346 3.747 -14.173 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.451 4.978 -13.595 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.343 6.905 -13.627 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.706 7.131 -13.002 1.00 0.00 H new ATOM 547 N GLU A 37 -7.711 3.163 -9.531 1.00 0.00 N ATOM 548 CA GLU A 37 -8.153 2.414 -8.352 1.00 0.00 C ATOM 549 C GLU A 37 -6.993 1.761 -7.585 1.00 0.00 C ATOM 550 O GLU A 37 -7.126 0.678 -7.008 1.00 0.00 O ATOM 551 CB GLU A 37 -9.305 1.458 -8.734 1.00 0.00 C ATOM 552 CG GLU A 37 -10.647 2.153 -8.488 1.00 0.00 C ATOM 553 CD GLU A 37 -11.856 1.327 -8.949 1.00 0.00 C ATOM 554 OE1 GLU A 37 -11.950 0.131 -8.587 1.00 0.00 O ATOM 555 OE2 GLU A 37 -12.755 1.895 -9.611 1.00 0.00 O ATOM 0 H GLU A 37 -8.122 4.096 -9.567 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.562 3.115 -7.625 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.220 1.169 -9.781 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.243 0.543 -8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.747 2.367 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.652 3.111 -9.007 1.00 0.00 H new ATOM 562 N GLY A 38 -5.846 2.441 -7.543 1.00 0.00 N ATOM 563 CA GLY A 38 -4.626 1.966 -6.911 1.00 0.00 C ATOM 564 C GLY A 38 -4.879 1.442 -5.498 1.00 0.00 C ATOM 565 O GLY A 38 -4.441 0.342 -5.163 1.00 0.00 O ATOM 0 H GLY A 38 -5.743 3.365 -7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.188 1.174 -7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.899 2.777 -6.872 1.00 0.00 H new ATOM 569 N TRP A 39 -5.628 2.189 -4.684 1.00 0.00 N ATOM 570 CA TRP A 39 -5.974 1.826 -3.321 1.00 0.00 C ATOM 571 C TRP A 39 -6.710 0.492 -3.247 1.00 0.00 C ATOM 572 O TRP A 39 -6.362 -0.348 -2.420 1.00 0.00 O ATOM 573 CB TRP A 39 -6.831 2.919 -2.684 1.00 0.00 C ATOM 574 CG TRP A 39 -8.158 3.217 -3.313 1.00 0.00 C ATOM 575 CD1 TRP A 39 -8.390 3.980 -4.408 1.00 0.00 C ATOM 576 CD2 TRP A 39 -9.450 2.671 -2.922 1.00 0.00 C ATOM 577 NE1 TRP A 39 -9.742 3.975 -4.688 1.00 0.00 N ATOM 578 CE2 TRP A 39 -10.439 3.165 -3.814 1.00 0.00 C ATOM 579 CE3 TRP A 39 -9.863 1.727 -1.960 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -11.775 2.751 -3.731 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.202 1.306 -1.869 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.170 1.853 -2.723 1.00 0.00 C ATOM 0 H TRP A 39 -6.018 3.087 -4.969 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.039 1.721 -2.771 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.007 2.644 -1.644 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.249 3.840 -2.676 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.636 4.509 -4.973 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.172 4.504 -5.446 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -9.134 1.317 -1.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.501 3.121 -4.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.485 0.561 -1.140 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.210 1.587 -2.608 1.00 0.00 H new ATOM 593 N LYS A 40 -7.716 0.283 -4.102 1.00 0.00 N ATOM 594 CA LYS A 40 -8.474 -0.962 -4.129 1.00 0.00 C ATOM 595 C LYS A 40 -7.522 -2.105 -4.420 1.00 0.00 C ATOM 596 O LYS A 40 -7.573 -3.131 -3.746 1.00 0.00 O ATOM 597 CB LYS A 40 -9.588 -0.920 -5.194 1.00 0.00 C ATOM 598 CG LYS A 40 -10.907 -0.380 -4.668 1.00 0.00 C ATOM 599 CD LYS A 40 -12.102 -0.877 -5.481 1.00 0.00 C ATOM 600 CE LYS A 40 -13.157 0.213 -5.699 1.00 0.00 C ATOM 601 NZ LYS A 40 -14.045 -0.136 -6.825 1.00 0.00 N ATOM 0 H LYS A 40 -8.023 0.971 -4.790 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.951 -1.105 -3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.258 -0.302 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.745 -1.926 -5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.030 -0.678 -3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.885 0.710 -4.688 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.754 -1.240 -6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.559 -1.724 -4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.747 0.342 -4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.666 1.166 -5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.793 0.581 -6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.492 -0.169 -7.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.476 -1.066 -6.652 1.00 0.00 H new ATOM 615 N LYS A 41 -6.638 -1.923 -5.401 1.00 0.00 N ATOM 616 CA LYS A 41 -5.747 -2.992 -5.847 1.00 0.00 C ATOM 617 C LYS A 41 -4.779 -3.334 -4.723 1.00 0.00 C ATOM 618 O LYS A 41 -4.491 -4.510 -4.502 1.00 0.00 O ATOM 619 CB LYS A 41 -4.998 -2.594 -7.122 1.00 0.00 C ATOM 620 CG LYS A 41 -5.928 -2.324 -8.312 1.00 0.00 C ATOM 621 CD LYS A 41 -5.475 -1.088 -9.105 1.00 0.00 C ATOM 622 CE LYS A 41 -4.405 -1.385 -10.166 1.00 0.00 C ATOM 623 NZ LYS A 41 -4.382 -0.377 -11.250 1.00 0.00 N ATOM 0 H LYS A 41 -6.520 -1.043 -5.903 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.340 -3.874 -6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.405 -1.701 -6.923 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.300 -3.388 -7.388 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.944 -3.194 -8.968 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.947 -2.176 -7.954 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.343 -0.644 -9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.086 -0.345 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.426 -1.422 -9.689 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.588 -2.370 -10.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.606 -0.836 -12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.087 0.362 -11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.437 0.053 -11.304 1.00 0.00 H new ATOM 637 N LEU A 42 -4.279 -2.317 -4.017 1.00 0.00 N ATOM 638 CA LEU A 42 -3.407 -2.455 -2.871 1.00 0.00 C ATOM 639 C LEU A 42 -4.131 -3.251 -1.788 1.00 0.00 C ATOM 640 O LEU A 42 -3.638 -4.288 -1.363 1.00 0.00 O ATOM 641 CB LEU A 42 -2.999 -1.038 -2.420 1.00 0.00 C ATOM 642 CG LEU A 42 -1.734 -0.897 -1.555 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.101 -0.436 -0.148 1.00 0.00 C ATOM 644 CD2 LEU A 42 -0.806 -2.114 -1.514 1.00 0.00 C ATOM 0 H LEU A 42 -4.484 -1.344 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.497 -3.007 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.864 -0.428 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.834 -0.610 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.139 -0.136 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.196 -0.341 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.604 0.530 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.766 -1.167 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.050 -1.898 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.348 -2.972 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.458 -2.340 -2.522 1.00 0.00 H new ATOM 656 N ALA A 43 -5.324 -2.814 -1.382 1.00 0.00 N ATOM 657 CA ALA A 43 -6.132 -3.467 -0.361 1.00 0.00 C ATOM 658 C ALA A 43 -6.335 -4.960 -0.622 1.00 0.00 C ATOM 659 O ALA A 43 -6.129 -5.755 0.291 1.00 0.00 O ATOM 660 CB ALA A 43 -7.486 -2.773 -0.269 1.00 0.00 C ATOM 0 H ALA A 43 -5.762 -1.976 -1.765 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.590 -3.383 0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.093 -3.260 0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.341 -1.726 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.994 -2.837 -1.231 1.00 0.00 H new ATOM 666 N VAL A 44 -6.752 -5.354 -1.830 1.00 0.00 N ATOM 667 CA VAL A 44 -7.001 -6.753 -2.140 1.00 0.00 C ATOM 668 C VAL A 44 -5.691 -7.537 -2.279 1.00 0.00 C ATOM 669 O VAL A 44 -5.661 -8.736 -2.015 1.00 0.00 O ATOM 670 CB VAL A 44 -7.918 -6.855 -3.375 1.00 0.00 C ATOM 671 CG1 VAL A 44 -9.251 -6.130 -3.121 1.00 0.00 C ATOM 672 CG2 VAL A 44 -7.298 -6.364 -4.692 1.00 0.00 C ATOM 0 H VAL A 44 -6.923 -4.716 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.528 -7.223 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.083 -7.924 -3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.884 -6.213 -4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.756 -6.584 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.059 -5.078 -2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.022 -6.477 -5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.023 -5.314 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.408 -6.952 -4.917 1.00 0.00 H new ATOM 682 N ALA A 45 -4.581 -6.874 -2.632 1.00 0.00 N ATOM 683 CA ALA A 45 -3.267 -7.505 -2.662 1.00 0.00 C ATOM 684 C ALA A 45 -2.791 -7.816 -1.237 1.00 0.00 C ATOM 685 O ALA A 45 -2.040 -8.765 -1.025 1.00 0.00 O ATOM 686 CB ALA A 45 -2.274 -6.584 -3.385 1.00 0.00 C ATOM 0 H ALA A 45 -4.575 -5.891 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.330 -8.448 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.291 -7.055 -3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.616 -6.409 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.208 -5.633 -2.856 1.00 0.00 H new ATOM 692 N ILE A 46 -3.222 -7.031 -0.249 1.00 0.00 N ATOM 693 CA ILE A 46 -2.835 -7.196 1.138 1.00 0.00 C ATOM 694 C ILE A 46 -3.603 -8.384 1.730 1.00 0.00 C ATOM 695 O ILE A 46 -4.777 -8.286 2.116 1.00 0.00 O ATOM 696 CB ILE A 46 -3.042 -5.870 1.894 1.00 0.00 C ATOM 697 CG1 ILE A 46 -2.056 -4.794 1.398 1.00 0.00 C ATOM 698 CG2 ILE A 46 -2.790 -6.053 3.385 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.510 -3.376 1.728 1.00 0.00 C ATOM 0 H ILE A 46 -3.861 -6.251 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.775 -7.431 1.232 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.071 -5.560 1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.078 -4.970 1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.934 -4.889 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.942 -5.104 3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.482 -6.796 3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.766 -6.391 3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.776 -2.663 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.475 -3.184 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.605 -3.266 2.808 1.00 0.00 H new ATOM 711 N LYS A 47 -2.923 -9.522 1.858 1.00 0.00 N ATOM 712 CA LYS A 47 -3.438 -10.671 2.599 1.00 0.00 C ATOM 713 C LYS A 47 -2.792 -10.721 3.975 1.00 0.00 C ATOM 714 O LYS A 47 -1.736 -10.133 4.220 1.00 0.00 O ATOM 715 CB LYS A 47 -3.227 -11.966 1.799 1.00 0.00 C ATOM 716 CG LYS A 47 -4.444 -12.361 0.939 1.00 0.00 C ATOM 717 CD LYS A 47 -4.906 -11.313 -0.080 1.00 0.00 C ATOM 718 CE LYS A 47 -3.862 -11.134 -1.179 1.00 0.00 C ATOM 719 NZ LYS A 47 -4.012 -12.150 -2.228 1.00 0.00 N ATOM 0 H LYS A 47 -2.000 -9.673 1.451 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.513 -10.566 2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.358 -11.847 1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.001 -12.778 2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.205 -13.280 0.404 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.278 -12.587 1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.855 -11.619 -0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.080 -10.361 0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.958 -10.140 -1.616 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.863 -11.198 -0.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.289 -12.002 -2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.896 -13.097 -1.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.957 -12.072 -2.654 1.00 0.00 H new ATOM 733 N LYS A 48 -3.484 -11.365 4.909 1.00 0.00 N ATOM 734 CA LYS A 48 -3.013 -11.722 6.234 1.00 0.00 C ATOM 735 C LYS A 48 -1.847 -12.704 6.077 1.00 0.00 C ATOM 736 O LYS A 48 -1.686 -13.288 4.999 1.00 0.00 O ATOM 737 CB LYS A 48 -4.173 -12.382 7.002 1.00 0.00 C ATOM 738 CG LYS A 48 -5.254 -11.427 7.526 1.00 0.00 C ATOM 739 CD LYS A 48 -6.220 -12.201 8.437 1.00 0.00 C ATOM 740 CE LYS A 48 -7.582 -11.519 8.618 1.00 0.00 C ATOM 741 NZ LYS A 48 -8.566 -12.418 9.264 1.00 0.00 N ATOM 0 H LYS A 48 -4.445 -11.668 4.747 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.675 -10.844 6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.647 -13.114 6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.759 -12.931 7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.794 -10.607 8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.799 -10.984 6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.375 -13.197 8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.757 -12.331 9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.461 -10.619 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.962 -11.202 7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.474 -11.921 9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.701 -13.265 8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.215 -12.700 10.202 1.00 0.00 H new ATOM 755 N PRO A 49 -1.080 -12.960 7.150 1.00 0.00 N ATOM 756 CA PRO A 49 0.038 -13.892 7.127 1.00 0.00 C ATOM 757 C PRO A 49 -0.338 -15.265 6.564 1.00 0.00 C ATOM 758 O PRO A 49 0.464 -15.871 5.859 1.00 0.00 O ATOM 759 CB PRO A 49 0.509 -13.989 8.580 1.00 0.00 C ATOM 760 CG PRO A 49 0.107 -12.638 9.171 1.00 0.00 C ATOM 761 CD PRO A 49 -1.238 -12.409 8.487 1.00 0.00 C ATOM 0 HA PRO A 49 0.824 -13.536 6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.030 -14.816 9.104 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.585 -14.152 8.644 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.017 -12.673 10.257 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.828 -11.855 8.936 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.044 -12.906 9.026 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.486 -11.348 8.450 1.00 0.00 H new ATOM 769 N SER A 50 -1.557 -15.743 6.835 1.00 0.00 N ATOM 770 CA SER A 50 -1.995 -17.052 6.382 1.00 0.00 C ATOM 771 C SER A 50 -2.701 -17.038 5.024 1.00 0.00 C ATOM 772 O SER A 50 -2.898 -18.119 4.474 1.00 0.00 O ATOM 773 CB SER A 50 -2.818 -17.723 7.484 1.00 0.00 C ATOM 774 OG SER A 50 -1.967 -17.902 8.612 1.00 0.00 O ATOM 0 H SER A 50 -2.258 -15.232 7.371 1.00 0.00 H new ATOM 0 HA SER A 50 -1.105 -17.654 6.197 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.678 -17.107 7.748 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.206 -18.682 7.141 1.00 0.00 H new ATOM 0 HG SER A 50 -2.470 -18.330 9.336 1.00 0.00 H new ATOM 780 N GLY A 51 -2.982 -15.887 4.405 1.00 0.00 N ATOM 781 CA GLY A 51 -3.482 -15.803 3.024 1.00 0.00 C ATOM 782 C GLY A 51 -4.938 -15.355 2.942 1.00 0.00 C ATOM 783 O GLY A 51 -5.517 -15.294 1.861 1.00 0.00 O ATOM 0 H GLY A 51 -2.868 -14.977 4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.861 -15.106 2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.380 -16.778 2.547 1.00 0.00 H new ATOM 787 N ASP A 52 -5.542 -15.052 4.080 1.00 0.00 N ATOM 788 CA ASP A 52 -6.879 -14.505 4.230 1.00 0.00 C ATOM 789 C ASP A 52 -6.850 -13.038 3.798 1.00 0.00 C ATOM 790 O ASP A 52 -5.858 -12.358 4.047 1.00 0.00 O ATOM 791 CB ASP A 52 -7.342 -14.580 5.700 1.00 0.00 C ATOM 792 CG ASP A 52 -6.601 -15.547 6.634 1.00 0.00 C ATOM 793 OD1 ASP A 52 -5.354 -15.468 6.742 1.00 0.00 O ATOM 794 OD2 ASP A 52 -7.274 -16.307 7.362 1.00 0.00 O ATOM 0 H ASP A 52 -5.082 -15.191 4.980 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.571 -15.082 3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.268 -13.580 6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.398 -14.851 5.706 1.00 0.00 H new ATOM 799 N ASP A 53 -7.905 -12.502 3.188 1.00 0.00 N ATOM 800 CA ASP A 53 -7.893 -11.110 2.720 1.00 0.00 C ATOM 801 C ASP A 53 -7.927 -10.192 3.944 1.00 0.00 C ATOM 802 O ASP A 53 -8.801 -10.367 4.797 1.00 0.00 O ATOM 803 CB ASP A 53 -9.090 -10.792 1.803 1.00 0.00 C ATOM 804 CG ASP A 53 -9.386 -11.868 0.769 1.00 0.00 C ATOM 805 OD1 ASP A 53 -8.645 -11.997 -0.226 1.00 0.00 O ATOM 806 OD2 ASP A 53 -10.387 -12.595 0.978 1.00 0.00 O ATOM 0 H ASP A 53 -8.775 -13.003 3.005 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.988 -10.951 2.133 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.976 -10.643 2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.898 -9.851 1.287 1.00 0.00 H new ATOM 811 N ARG A 54 -7.025 -9.206 4.065 1.00 0.00 N ATOM 812 CA ARG A 54 -7.097 -8.246 5.183 1.00 0.00 C ATOM 813 C ARG A 54 -8.328 -7.348 5.107 1.00 0.00 C ATOM 814 O ARG A 54 -8.769 -6.867 6.151 1.00 0.00 O ATOM 815 CB ARG A 54 -5.832 -7.374 5.277 1.00 0.00 C ATOM 816 CG ARG A 54 -4.622 -8.202 5.723 1.00 0.00 C ATOM 817 CD ARG A 54 -3.466 -7.378 6.300 1.00 0.00 C ATOM 818 NE ARG A 54 -2.179 -8.092 6.171 1.00 0.00 N ATOM 819 CZ ARG A 54 -1.179 -8.178 7.056 1.00 0.00 C ATOM 820 NH1 ARG A 54 -1.313 -7.711 8.289 1.00 0.00 N ATOM 821 NH2 ARG A 54 -0.045 -8.760 6.685 1.00 0.00 N ATOM 0 H ARG A 54 -6.251 -9.052 3.418 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.174 -8.855 6.084 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.628 -6.919 4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.999 -6.560 5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.948 -8.923 6.473 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.254 -8.773 4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.406 -6.420 5.783 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.660 -7.161 7.350 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.033 -8.585 5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.190 -7.277 8.577 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.539 -7.786 8.950 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.052 -9.132 5.740 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.729 -8.835 7.345 1.00 0.00 H new ATOM 835 N TYR A 55 -8.899 -7.138 3.921 1.00 0.00 N ATOM 836 CA TYR A 55 -10.040 -6.266 3.704 1.00 0.00 C ATOM 837 C TYR A 55 -10.940 -6.976 2.710 1.00 0.00 C ATOM 838 O TYR A 55 -10.609 -7.064 1.526 1.00 0.00 O ATOM 839 CB TYR A 55 -9.566 -4.899 3.174 1.00 0.00 C ATOM 840 CG TYR A 55 -8.513 -4.222 4.032 1.00 0.00 C ATOM 841 CD1 TYR A 55 -8.889 -3.420 5.127 1.00 0.00 C ATOM 842 CD2 TYR A 55 -7.146 -4.440 3.765 1.00 0.00 C ATOM 843 CE1 TYR A 55 -7.910 -2.869 5.973 1.00 0.00 C ATOM 844 CE2 TYR A 55 -6.162 -3.914 4.620 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.542 -3.137 5.737 1.00 0.00 C ATOM 846 OH TYR A 55 -5.589 -2.678 6.591 1.00 0.00 O ATOM 0 H TYR A 55 -8.568 -7.584 3.066 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.584 -6.069 4.628 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.167 -5.032 2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.428 -4.237 3.090 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.934 -3.227 5.318 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.853 -5.014 2.899 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.203 -2.242 6.802 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.117 -4.104 4.423 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.704 -2.957 6.274 1.00 0.00 H new ATOM 856 N ASN A 56 -12.063 -7.529 3.173 1.00 0.00 N ATOM 857 CA ASN A 56 -13.074 -8.009 2.227 1.00 0.00 C ATOM 858 C ASN A 56 -13.793 -6.812 1.601 1.00 0.00 C ATOM 859 O ASN A 56 -13.611 -5.672 2.051 1.00 0.00 O ATOM 860 CB ASN A 56 -14.137 -8.881 2.912 1.00 0.00 C ATOM 861 CG ASN A 56 -14.636 -10.024 2.027 1.00 0.00 C ATOM 862 OD1 ASN A 56 -14.633 -9.921 0.807 1.00 0.00 O ATOM 863 ND2 ASN A 56 -15.201 -11.085 2.578 1.00 0.00 N ATOM 0 H ASN A 56 -12.292 -7.653 4.159 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.555 -8.605 1.477 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.722 -9.295 3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.982 -8.255 3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.625 -11.801 1.988 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.213 -11.187 3.593 1.00 0.00 H new ATOM 870 N GLN A 57 -14.691 -7.074 0.644 1.00 0.00 N ATOM 871 CA GLN A 57 -15.386 -6.008 -0.052 1.00 0.00 C ATOM 872 C GLN A 57 -16.271 -5.190 0.892 1.00 0.00 C ATOM 873 O GLN A 57 -16.457 -3.998 0.672 1.00 0.00 O ATOM 874 CB GLN A 57 -16.161 -6.527 -1.276 1.00 0.00 C ATOM 875 CG GLN A 57 -16.758 -5.342 -2.066 1.00 0.00 C ATOM 876 CD GLN A 57 -17.262 -5.656 -3.472 1.00 0.00 C ATOM 877 OE1 GLN A 57 -17.114 -4.843 -4.384 1.00 0.00 O ATOM 878 NE2 GLN A 57 -17.957 -6.763 -3.666 1.00 0.00 N ATOM 0 H GLN A 57 -14.946 -8.014 0.342 1.00 0.00 H new ATOM 0 HA GLN A 57 -14.624 -5.328 -0.433 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -15.497 -7.105 -1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -16.957 -7.198 -0.954 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -17.585 -4.928 -1.490 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -16.000 -4.563 -2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.075 -7.431 -2.905 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -18.376 -6.949 -4.577 1.00 0.00 H new ATOM 887 N PHE A 58 -16.710 -5.787 1.997 1.00 0.00 N ATOM 888 CA PHE A 58 -17.372 -5.131 3.110 1.00 0.00 C ATOM 889 C PHE A 58 -16.662 -3.833 3.532 1.00 0.00 C ATOM 890 O PHE A 58 -17.324 -2.839 3.835 1.00 0.00 O ATOM 891 CB PHE A 58 -17.433 -6.155 4.247 1.00 0.00 C ATOM 892 CG PHE A 58 -18.301 -5.744 5.416 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.702 -5.848 5.327 1.00 0.00 C ATOM 894 CD2 PHE A 58 -17.710 -5.290 6.610 1.00 0.00 C ATOM 895 CE1 PHE A 58 -20.507 -5.504 6.427 1.00 0.00 C ATOM 896 CE2 PHE A 58 -18.513 -4.941 7.709 1.00 0.00 C ATOM 897 CZ PHE A 58 -19.912 -5.046 7.614 1.00 0.00 C ATOM 0 H PHE A 58 -16.606 -6.791 2.143 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.375 -4.815 2.824 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.805 -7.099 3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.421 -6.338 4.609 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -20.160 -6.193 4.412 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.635 -5.210 6.682 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.581 -5.592 6.359 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -18.057 -4.593 8.624 1.00 0.00 H new ATOM 0 HZ PHE A 58 -20.531 -4.774 8.456 1.00 0.00 H new ATOM 907 N HIS A 59 -15.323 -3.805 3.518 1.00 0.00 N ATOM 908 CA HIS A 59 -14.550 -2.609 3.820 1.00 0.00 C ATOM 909 C HIS A 59 -14.272 -1.795 2.567 1.00 0.00 C ATOM 910 O HIS A 59 -14.329 -0.576 2.639 1.00 0.00 O ATOM 911 CB HIS A 59 -13.252 -2.984 4.536 1.00 0.00 C ATOM 912 CG HIS A 59 -13.518 -3.616 5.877 1.00 0.00 C ATOM 913 ND1 HIS A 59 -12.880 -4.721 6.383 1.00 0.00 N ATOM 914 CD2 HIS A 59 -14.488 -3.247 6.774 1.00 0.00 C ATOM 915 CE1 HIS A 59 -13.490 -5.037 7.531 1.00 0.00 C ATOM 916 NE2 HIS A 59 -14.485 -4.179 7.814 1.00 0.00 N ATOM 0 H HIS A 59 -14.750 -4.619 3.295 1.00 0.00 H new ATOM 0 HA HIS A 59 -15.142 -1.981 4.486 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.680 -3.674 3.915 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.639 -2.092 4.669 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.138 -2.389 6.691 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.217 -5.877 8.153 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -15.109 -4.203 8.621 1.00 0.00 H new ATOM 924 N ILE A 60 -14.032 -2.417 1.410 1.00 0.00 N ATOM 925 CA ILE A 60 -13.858 -1.685 0.152 1.00 0.00 C ATOM 926 C ILE A 60 -15.049 -0.760 -0.080 1.00 0.00 C ATOM 927 O ILE A 60 -14.862 0.401 -0.419 1.00 0.00 O ATOM 928 CB ILE A 60 -13.649 -2.666 -1.016 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.353 -3.482 -0.846 1.00 0.00 C ATOM 930 CG2 ILE A 60 -13.689 -1.986 -2.388 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.059 -2.666 -0.828 1.00 0.00 C ATOM 0 H ILE A 60 -13.953 -3.430 1.318 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.964 -1.064 0.213 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.495 -3.353 -0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.419 -4.047 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.293 -4.209 -1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.535 -2.732 -3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.658 -1.508 -2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -12.902 -1.234 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.208 -3.336 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -10.959 -2.122 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.087 -1.958 0.000 1.00 0.00 H new ATOM 943 N ARG A 61 -16.272 -1.234 0.142 1.00 0.00 N ATOM 944 CA ARG A 61 -17.473 -0.426 -0.009 1.00 0.00 C ATOM 945 C ARG A 61 -17.489 0.748 0.971 1.00 0.00 C ATOM 946 O ARG A 61 -17.912 1.847 0.610 1.00 0.00 O ATOM 947 CB ARG A 61 -18.690 -1.341 0.159 1.00 0.00 C ATOM 948 CG ARG A 61 -18.935 -2.193 -1.098 1.00 0.00 C ATOM 949 CD ARG A 61 -19.548 -1.430 -2.281 1.00 0.00 C ATOM 950 NE ARG A 61 -21.001 -1.239 -2.117 1.00 0.00 N ATOM 951 CZ ARG A 61 -21.963 -1.488 -3.018 1.00 0.00 C ATOM 952 NH1 ARG A 61 -21.706 -2.053 -4.195 1.00 0.00 N ATOM 953 NH2 ARG A 61 -23.213 -1.158 -2.724 1.00 0.00 N ATOM 0 H ARG A 61 -16.456 -2.194 0.433 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.497 0.022 -1.003 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.539 -1.994 1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.573 -0.738 0.368 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -17.987 -2.628 -1.416 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -19.594 -3.021 -0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -19.063 -0.459 -2.378 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.355 -1.976 -3.205 1.00 0.00 H new ATOM 0 HE ARG A 61 -21.310 -0.876 -1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.750 -2.313 -4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -22.465 -2.226 -4.854 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.428 -0.723 -1.827 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -23.960 -1.339 -3.395 1.00 0.00 H new ATOM 967 N ARG A 62 -17.014 0.561 2.203 1.00 0.00 N ATOM 968 CA ARG A 62 -16.821 1.650 3.153 1.00 0.00 C ATOM 969 C ARG A 62 -15.813 2.665 2.618 1.00 0.00 C ATOM 970 O ARG A 62 -16.097 3.859 2.616 1.00 0.00 O ATOM 971 CB ARG A 62 -16.427 1.084 4.511 1.00 0.00 C ATOM 972 CG ARG A 62 -17.733 0.711 5.212 1.00 0.00 C ATOM 973 CD ARG A 62 -17.560 -0.459 6.160 1.00 0.00 C ATOM 974 NE ARG A 62 -17.143 -0.072 7.518 1.00 0.00 N ATOM 975 CZ ARG A 62 -17.921 0.516 8.433 1.00 0.00 C ATOM 976 NH1 ARG A 62 -19.174 0.856 8.145 1.00 0.00 N ATOM 977 NH2 ARG A 62 -17.437 0.743 9.643 1.00 0.00 N ATOM 0 H ARG A 62 -16.752 -0.355 2.568 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.758 2.191 3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.783 0.212 4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.869 1.818 5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -18.105 1.573 5.766 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -18.486 0.463 4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.501 -1.006 6.222 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -16.820 -1.144 5.745 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.178 -0.269 7.784 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -19.553 0.669 7.217 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -19.756 1.304 8.853 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -16.481 0.470 9.869 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -18.020 1.191 10.350 1.00 0.00 H new ATOM 991 N PHE A 63 -14.671 2.198 2.109 1.00 0.00 N ATOM 992 CA PHE A 63 -13.654 3.035 1.490 1.00 0.00 C ATOM 993 C PHE A 63 -14.222 3.802 0.277 1.00 0.00 C ATOM 994 O PHE A 63 -13.974 4.998 0.148 1.00 0.00 O ATOM 995 CB PHE A 63 -12.433 2.170 1.137 1.00 0.00 C ATOM 996 CG PHE A 63 -11.538 1.756 2.301 1.00 0.00 C ATOM 997 CD1 PHE A 63 -10.786 2.718 2.999 1.00 0.00 C ATOM 998 CD2 PHE A 63 -11.403 0.399 2.663 1.00 0.00 C ATOM 999 CE1 PHE A 63 -9.934 2.333 4.049 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -10.517 0.011 3.685 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.786 0.979 4.389 1.00 0.00 C ATOM 0 H PHE A 63 -14.427 1.208 2.118 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.328 3.800 2.195 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.786 1.267 0.639 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.825 2.715 0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.864 3.760 2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -11.987 -0.351 2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.389 3.086 4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.400 -1.035 3.928 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.116 0.686 5.184 1.00 0.00 H new ATOM 1011 N GLU A 64 -15.040 3.170 -0.570 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.768 3.807 -1.666 1.00 0.00 C ATOM 1013 C GLU A 64 -16.629 4.948 -1.122 1.00 0.00 C ATOM 1014 O GLU A 64 -16.613 6.042 -1.676 1.00 0.00 O ATOM 1015 CB GLU A 64 -16.647 2.810 -2.457 1.00 0.00 C ATOM 1016 CG GLU A 64 -15.892 1.818 -3.353 1.00 0.00 C ATOM 1017 CD GLU A 64 -16.822 0.948 -4.212 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -17.564 1.509 -5.056 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -16.735 -0.300 -4.137 1.00 0.00 O ATOM 0 H GLU A 64 -15.218 2.168 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 64 -15.026 4.199 -2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.249 2.243 -1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.338 3.379 -3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.216 2.370 -4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.275 1.172 -2.729 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.351 4.751 -0.015 1.00 0.00 N ATOM 1027 CA ALA A 65 -18.184 5.810 0.547 1.00 0.00 C ATOM 1028 C ALA A 65 -17.367 7.063 0.909 1.00 0.00 C ATOM 1029 O ALA A 65 -17.926 8.158 0.872 1.00 0.00 O ATOM 1030 CB ALA A 65 -18.977 5.286 1.748 1.00 0.00 C ATOM 0 H ALA A 65 -17.374 3.873 0.504 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.892 6.117 -0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.593 6.088 2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.617 4.463 1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.286 4.934 2.514 1.00 0.00 H new ATOM 1036 N LEU A 66 -16.063 6.937 1.201 1.00 0.00 N ATOM 1037 CA LEU A 66 -15.165 8.067 1.443 1.00 0.00 C ATOM 1038 C LEU A 66 -14.942 8.856 0.159 1.00 0.00 C ATOM 1039 O LEU A 66 -15.171 10.063 0.138 1.00 0.00 O ATOM 1040 CB LEU A 66 -13.798 7.608 1.982 1.00 0.00 C ATOM 1041 CG LEU A 66 -13.875 6.699 3.213 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -12.480 6.164 3.518 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -14.409 7.461 4.430 1.00 0.00 C ATOM 0 H LEU A 66 -15.600 6.031 1.276 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.644 8.696 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.267 7.081 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.206 8.488 2.232 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.559 5.878 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.522 5.515 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.113 5.596 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.806 6.997 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.453 6.791 5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.747 8.297 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.408 7.838 4.213 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.507 8.187 -0.915 1.00 0.00 N ATOM 1056 CA LEU A 67 -14.152 8.848 -2.168 1.00 0.00 C ATOM 1057 C LEU A 67 -15.348 9.563 -2.782 1.00 0.00 C ATOM 1058 O LEU A 67 -15.208 10.599 -3.430 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.477 7.844 -3.112 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.306 6.886 -3.988 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -14.756 7.528 -5.303 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.462 5.651 -4.312 1.00 0.00 C ATOM 0 H LEU A 67 -14.393 7.174 -0.936 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.425 9.635 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.841 8.419 -3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.819 7.226 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.201 6.622 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.336 6.808 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.372 8.402 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.881 7.832 -5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.041 4.967 -4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.563 5.955 -4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.179 5.150 -3.386 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.543 9.048 -2.514 1.00 0.00 N ATOM 1075 CA GLN A 68 -17.814 9.630 -2.912 1.00 0.00 C ATOM 1076 C GLN A 68 -18.069 10.991 -2.244 1.00 0.00 C ATOM 1077 O GLN A 68 -18.916 11.740 -2.728 1.00 0.00 O ATOM 1078 CB GLN A 68 -18.901 8.601 -2.584 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.765 7.371 -3.499 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.630 6.196 -3.055 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -20.560 6.327 -2.258 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -19.406 5.017 -3.603 1.00 0.00 N ATOM 0 H GLN A 68 -16.654 8.179 -1.992 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.813 9.846 -3.980 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.821 8.297 -1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.886 9.050 -2.710 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -19.037 7.651 -4.517 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.721 7.057 -3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -18.638 4.899 -4.264 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -20.001 4.223 -3.366 1.00 0.00 H new ATOM 1091 N THR A 69 -17.319 11.352 -1.200 1.00 0.00 N ATOM 1092 CA THR A 69 -17.359 12.631 -0.498 1.00 0.00 C ATOM 1093 C THR A 69 -15.939 13.223 -0.353 1.00 0.00 C ATOM 1094 O THR A 69 -15.694 14.024 0.550 1.00 0.00 O ATOM 1095 CB THR A 69 -18.138 12.436 0.822 1.00 0.00 C ATOM 1096 OG1 THR A 69 -18.386 13.654 1.494 1.00 0.00 O ATOM 1097 CG2 THR A 69 -17.456 11.474 1.795 1.00 0.00 C ATOM 0 H THR A 69 -16.627 10.719 -0.800 1.00 0.00 H new ATOM 0 HA THR A 69 -17.899 13.387 -1.068 1.00 0.00 H new ATOM 0 HB THR A 69 -19.085 11.997 0.507 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.599 14.234 1.421 1.00 0.00 H new ATOM 0 HG21 THR A 69 -18.057 11.384 2.700 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.355 10.494 1.328 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.468 11.856 2.052 1.00 0.00 H new ATOM 1105 N GLY A 70 -14.980 12.830 -1.197 1.00 0.00 N ATOM 1106 CA GLY A 70 -13.672 13.475 -1.287 1.00 0.00 C ATOM 1107 C GLY A 70 -12.650 13.019 -0.244 1.00 0.00 C ATOM 1108 O GLY A 70 -11.445 13.161 -0.483 1.00 0.00 O ATOM 0 H GLY A 70 -15.094 12.048 -1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.261 13.291 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.808 14.552 -1.193 1.00 0.00 H new ATOM 1112 N LYS A 71 -13.076 12.429 0.880 1.00 0.00 N ATOM 1113 CA LYS A 71 -12.172 11.737 1.794 1.00 0.00 C ATOM 1114 C LYS A 71 -11.444 10.638 1.028 1.00 0.00 C ATOM 1115 O LYS A 71 -12.033 9.980 0.176 1.00 0.00 O ATOM 1116 CB LYS A 71 -12.945 11.204 2.999 1.00 0.00 C ATOM 1117 CG LYS A 71 -13.229 12.344 3.998 1.00 0.00 C ATOM 1118 CD LYS A 71 -12.603 12.065 5.370 1.00 0.00 C ATOM 1119 CE LYS A 71 -13.404 10.941 6.024 1.00 0.00 C ATOM 1120 NZ LYS A 71 -12.864 10.471 7.316 1.00 0.00 N ATOM 0 H LYS A 71 -14.052 12.420 1.176 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.424 12.425 2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.883 10.758 2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.372 10.417 3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.836 13.281 3.602 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.306 12.471 4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.557 11.777 5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.625 12.961 5.990 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.428 11.283 6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.449 10.097 5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.619 10.006 7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.093 9.794 7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.499 11.282 7.855 1.00 0.00 H new ATOM 1134 N SER A 72 -10.158 10.470 1.297 1.00 0.00 N ATOM 1135 CA SER A 72 -9.278 9.627 0.522 1.00 0.00 C ATOM 1136 C SER A 72 -9.235 8.245 1.150 1.00 0.00 C ATOM 1137 O SER A 72 -8.667 8.086 2.239 1.00 0.00 O ATOM 1138 CB SER A 72 -7.885 10.255 0.527 1.00 0.00 C ATOM 1139 OG SER A 72 -7.068 9.624 -0.433 1.00 0.00 O ATOM 0 H SER A 72 -9.692 10.929 2.080 1.00 0.00 H new ATOM 0 HA SER A 72 -9.634 9.536 -0.504 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.957 11.321 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.438 10.160 1.516 1.00 0.00 H new ATOM 0 HG SER A 72 -7.271 9.983 -1.322 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.772 7.225 0.468 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.562 5.872 0.900 1.00 0.00 C ATOM 1147 C PRO A 73 -8.093 5.483 0.818 1.00 0.00 C ATOM 1148 O PRO A 73 -7.716 4.690 1.662 1.00 0.00 O ATOM 1149 CB PRO A 73 -10.463 4.994 0.045 1.00 0.00 C ATOM 1150 CG PRO A 73 -10.707 5.815 -1.209 1.00 0.00 C ATOM 1151 CD PRO A 73 -10.532 7.261 -0.769 1.00 0.00 C ATOM 0 HA PRO A 73 -9.822 5.746 1.951 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.985 4.043 -0.189 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.397 4.764 0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.000 5.553 -1.997 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.707 5.641 -1.607 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.007 7.838 -1.531 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.499 7.740 -0.617 1.00 0.00 H new ATOM 1159 N THR A 74 -7.244 6.050 -0.060 1.00 0.00 N ATOM 1160 CA THR A 74 -5.803 5.850 0.044 1.00 0.00 C ATOM 1161 C THR A 74 -5.347 6.175 1.464 1.00 0.00 C ATOM 1162 O THR A 74 -4.751 5.324 2.122 1.00 0.00 O ATOM 1163 CB THR A 74 -5.024 6.733 -0.945 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.338 6.461 -2.288 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.508 6.550 -0.753 1.00 0.00 C ATOM 0 H THR A 74 -7.535 6.642 -0.838 1.00 0.00 H new ATOM 0 HA THR A 74 -5.597 4.808 -0.199 1.00 0.00 H new ATOM 0 HB THR A 74 -5.319 7.760 -0.728 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.234 7.277 -2.820 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.973 7.182 -1.461 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.234 6.831 0.264 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.243 5.507 -0.925 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.565 7.419 1.906 1.00 0.00 N ATOM 1174 CA CYS A 75 -4.999 7.908 3.149 1.00 0.00 C ATOM 1175 C CYS A 75 -5.510 7.075 4.319 1.00 0.00 C ATOM 1176 O CYS A 75 -4.716 6.720 5.187 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.343 9.395 3.313 1.00 0.00 C ATOM 1178 SG CYS A 75 -4.517 10.087 4.776 1.00 0.00 S ATOM 0 H CYS A 75 -6.136 8.103 1.410 1.00 0.00 H new ATOM 0 HA CYS A 75 -3.914 7.811 3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -5.037 9.945 2.423 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.422 9.516 3.407 1.00 0.00 H new ATOM 0 HG CYS A 75 -4.822 11.345 4.892 1.00 0.00 H new ATOM 1184 N GLU A 76 -6.812 6.777 4.350 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.390 5.980 5.422 1.00 0.00 C ATOM 1186 C GLU A 76 -6.849 4.558 5.397 1.00 0.00 C ATOM 1187 O GLU A 76 -6.432 4.064 6.443 1.00 0.00 O ATOM 1188 CB GLU A 76 -8.919 5.936 5.321 1.00 0.00 C ATOM 1189 CG GLU A 76 -9.541 7.313 5.631 1.00 0.00 C ATOM 1190 CD GLU A 76 -10.699 7.331 6.639 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -11.265 6.272 7.001 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -11.035 8.450 7.091 1.00 0.00 O ATOM 0 H GLU A 76 -7.482 7.078 3.642 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.109 6.457 6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.210 5.620 4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.310 5.193 6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.753 7.967 6.005 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.896 7.745 4.696 1.00 0.00 H new ATOM 1199 N LEU A 77 -6.869 3.908 4.231 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.481 2.516 4.056 1.00 0.00 C ATOM 1201 C LEU A 77 -5.036 2.344 4.498 1.00 0.00 C ATOM 1202 O LEU A 77 -4.726 1.431 5.258 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.645 2.114 2.574 1.00 0.00 C ATOM 1204 CG LEU A 77 -5.931 0.832 2.132 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.436 -0.460 2.776 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -5.946 0.699 0.611 1.00 0.00 C ATOM 0 H LEU A 77 -7.164 4.352 3.362 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.119 1.872 4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.709 2.001 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.285 2.936 1.955 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.910 0.953 2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.863 -1.305 2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.315 -0.399 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.490 -0.598 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.434 -0.218 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.977 0.666 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.438 1.555 0.166 1.00 0.00 H new ATOM 1218 N LEU A 78 -4.156 3.219 4.004 1.00 0.00 N ATOM 1219 CA LEU A 78 -2.753 3.223 4.348 1.00 0.00 C ATOM 1220 C LEU A 78 -2.589 3.382 5.863 1.00 0.00 C ATOM 1221 O LEU A 78 -1.778 2.671 6.446 1.00 0.00 O ATOM 1222 CB LEU A 78 -2.015 4.352 3.598 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.742 4.102 2.098 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -0.891 5.243 1.528 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -1.065 2.769 1.749 1.00 0.00 C ATOM 0 H LEU A 78 -4.414 3.952 3.344 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.312 2.273 4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.600 5.267 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.062 4.529 4.096 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.734 4.056 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.701 5.062 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.423 6.187 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.057 5.292 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.924 2.704 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.096 2.712 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.693 1.943 2.083 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.339 4.281 6.512 1.00 0.00 N ATOM 1238 CA PHE A 79 -3.248 4.475 7.960 1.00 0.00 C ATOM 1239 C PHE A 79 -3.689 3.234 8.729 1.00 0.00 C ATOM 1240 O PHE A 79 -3.002 2.818 9.662 1.00 0.00 O ATOM 1241 CB PHE A 79 -4.070 5.685 8.432 1.00 0.00 C ATOM 1242 CG PHE A 79 -3.218 6.705 9.143 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -2.658 6.401 10.399 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -2.947 7.935 8.524 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -1.795 7.318 11.022 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -2.078 8.847 9.146 1.00 0.00 C ATOM 1247 CZ PHE A 79 -1.488 8.531 10.383 1.00 0.00 C ATOM 0 H PHE A 79 -4.018 4.887 6.052 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.195 4.664 8.171 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.553 6.152 7.574 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.863 5.347 9.099 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.892 5.464 10.883 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.403 8.179 7.576 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.369 7.091 11.988 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.862 9.794 8.673 1.00 0.00 H new ATOM 0 HZ PHE A 79 -0.797 9.222 10.843 1.00 0.00 H new ATOM 1257 N ASP A 80 -4.830 2.658 8.353 1.00 0.00 N ATOM 1258 CA ASP A 80 -5.435 1.516 9.033 1.00 0.00 C ATOM 1259 C ASP A 80 -4.514 0.314 8.893 1.00 0.00 C ATOM 1260 O ASP A 80 -4.198 -0.367 9.861 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.835 1.211 8.461 1.00 0.00 C ATOM 1262 CG ASP A 80 -7.938 1.569 9.459 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -7.963 2.728 9.945 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -8.763 0.679 9.764 1.00 0.00 O ATOM 0 H ASP A 80 -5.370 2.980 7.550 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.563 1.751 10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.982 1.772 7.538 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.903 0.153 8.206 1.00 0.00 H new ATOM 1269 N TRP A 81 -3.995 0.085 7.692 1.00 0.00 N ATOM 1270 CA TRP A 81 -2.979 -0.922 7.439 1.00 0.00 C ATOM 1271 C TRP A 81 -1.689 -0.619 8.216 1.00 0.00 C ATOM 1272 O TRP A 81 -1.002 -1.518 8.702 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.757 -0.949 5.933 1.00 0.00 C ATOM 1274 CG TRP A 81 -1.896 -2.049 5.431 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -2.009 -3.353 5.751 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -0.811 -1.961 4.476 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -1.009 -4.062 5.125 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.250 -3.259 4.311 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.287 -0.912 3.698 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.835 -3.501 3.465 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.761 -1.159 2.801 1.00 0.00 C ATOM 1282 CH2 TRP A 81 1.329 -2.441 2.699 1.00 0.00 C ATOM 0 H TRP A 81 -4.274 0.602 6.858 1.00 0.00 H new ATOM 0 HA TRP A 81 -3.301 -1.904 7.787 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.728 -1.019 5.442 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.315 0.001 5.632 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.765 -3.775 6.397 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -0.851 -5.062 5.251 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -0.693 0.084 3.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.281 -4.483 3.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 1.136 -0.357 2.182 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.154 -2.608 2.023 1.00 0.00 H new ATOM 1293 N GLY A 82 -1.391 0.661 8.419 1.00 0.00 N ATOM 1294 CA GLY A 82 -0.329 1.127 9.283 1.00 0.00 C ATOM 1295 C GLY A 82 -0.524 0.578 10.683 1.00 0.00 C ATOM 1296 O GLY A 82 0.398 -0.016 11.246 1.00 0.00 O ATOM 0 H GLY A 82 -1.902 1.420 7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.637 0.810 8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.321 2.217 9.308 1.00 0.00 H new ATOM 1300 N THR A 83 -1.712 0.772 11.250 1.00 0.00 N ATOM 1301 CA THR A 83 -2.062 0.275 12.567 1.00 0.00 C ATOM 1302 C THR A 83 -2.049 -1.265 12.593 1.00 0.00 C ATOM 1303 O THR A 83 -1.585 -1.825 13.589 1.00 0.00 O ATOM 1304 CB THR A 83 -3.382 0.939 13.022 1.00 0.00 C ATOM 1305 OG1 THR A 83 -3.186 1.560 14.278 1.00 0.00 O ATOM 1306 CG2 THR A 83 -4.577 -0.001 13.144 1.00 0.00 C ATOM 0 H THR A 83 -2.466 1.287 10.796 1.00 0.00 H new ATOM 0 HA THR A 83 -1.313 0.557 13.307 1.00 0.00 H new ATOM 0 HB THR A 83 -3.627 1.650 12.233 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.021 1.983 14.568 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.452 0.563 13.469 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.780 -0.459 12.176 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.355 -0.779 13.875 1.00 0.00 H new ATOM 1314 N THR A 84 -2.475 -1.938 11.517 1.00 0.00 N ATOM 1315 CA THR A 84 -2.532 -3.399 11.405 1.00 0.00 C ATOM 1316 C THR A 84 -1.125 -4.025 11.455 1.00 0.00 C ATOM 1317 O THR A 84 -0.998 -5.213 11.758 1.00 0.00 O ATOM 1318 CB THR A 84 -3.364 -3.778 10.152 1.00 0.00 C ATOM 1319 OG1 THR A 84 -4.442 -4.620 10.503 1.00 0.00 O ATOM 1320 CG2 THR A 84 -2.604 -4.467 9.016 1.00 0.00 C ATOM 0 H THR A 84 -2.800 -1.465 10.674 1.00 0.00 H new ATOM 0 HA THR A 84 -3.045 -3.825 12.267 1.00 0.00 H new ATOM 0 HB THR A 84 -3.690 -2.809 9.773 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.955 -4.846 9.700 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.290 -4.682 8.197 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.809 -3.812 8.660 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.171 -5.398 9.381 1.00 0.00 H new ATOM 1328 N ASN A 85 -0.087 -3.206 11.220 1.00 0.00 N ATOM 1329 CA ASN A 85 1.343 -3.385 11.471 1.00 0.00 C ATOM 1330 C ASN A 85 2.024 -3.784 10.162 1.00 0.00 C ATOM 1331 O ASN A 85 2.496 -4.917 10.030 1.00 0.00 O ATOM 1332 CB ASN A 85 1.707 -4.373 12.603 1.00 0.00 C ATOM 1333 CG ASN A 85 1.080 -4.090 13.960 1.00 0.00 C ATOM 1334 OD1 ASN A 85 0.099 -4.707 14.352 1.00 0.00 O ATOM 1335 ND2 ASN A 85 1.630 -3.184 14.742 1.00 0.00 N ATOM 0 H ASN A 85 -0.257 -2.293 10.798 1.00 0.00 H new ATOM 0 HA ASN A 85 1.709 -2.425 11.836 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.415 -5.376 12.291 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.791 -4.379 12.719 1.00 0.00 H new ATOM 0 HD21 ASN A 85 1.238 -3.002 15.666 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.448 -2.665 14.424 1.00 0.00 H new ATOM 1342 N CYS A 86 2.066 -2.863 9.191 1.00 0.00 N ATOM 1343 CA CYS A 86 2.795 -3.048 7.934 1.00 0.00 C ATOM 1344 C CYS A 86 3.642 -1.815 7.580 1.00 0.00 C ATOM 1345 O CYS A 86 3.511 -0.760 8.214 1.00 0.00 O ATOM 1346 CB CYS A 86 1.811 -3.429 6.822 1.00 0.00 C ATOM 1347 SG CYS A 86 1.056 -5.042 7.200 1.00 0.00 S ATOM 0 H CYS A 86 1.591 -1.963 9.258 1.00 0.00 H new ATOM 0 HA CYS A 86 3.504 -3.867 8.052 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.037 -2.667 6.730 1.00 0.00 H new ATOM 0 HB3 CYS A 86 2.329 -3.474 5.864 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.207 -5.012 6.894 1.00 0.00 H new ATOM 1353 N THR A 87 4.525 -1.943 6.582 1.00 0.00 N ATOM 1354 CA THR A 87 5.605 -0.992 6.311 1.00 0.00 C ATOM 1355 C THR A 87 5.685 -0.513 4.859 1.00 0.00 C ATOM 1356 O THR A 87 5.033 -1.045 3.966 1.00 0.00 O ATOM 1357 CB THR A 87 6.944 -1.616 6.743 1.00 0.00 C ATOM 1358 OG1 THR A 87 7.118 -2.919 6.206 1.00 0.00 O ATOM 1359 CG2 THR A 87 7.096 -1.701 8.252 1.00 0.00 C ATOM 0 H THR A 87 4.507 -2.726 5.929 1.00 0.00 H new ATOM 0 HA THR A 87 5.382 -0.098 6.893 1.00 0.00 H new ATOM 0 HB THR A 87 7.708 -0.946 6.348 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.979 -3.282 6.500 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.059 -2.149 8.496 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.043 -0.700 8.680 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.295 -2.315 8.664 1.00 0.00 H new ATOM 1367 N VAL A 88 6.514 0.498 4.614 1.00 0.00 N ATOM 1368 CA VAL A 88 6.772 1.070 3.299 1.00 0.00 C ATOM 1369 C VAL A 88 7.370 0.014 2.365 1.00 0.00 C ATOM 1370 O VAL A 88 7.010 -0.035 1.192 1.00 0.00 O ATOM 1371 CB VAL A 88 7.710 2.278 3.479 1.00 0.00 C ATOM 1372 CG1 VAL A 88 8.358 2.743 2.169 1.00 0.00 C ATOM 1373 CG2 VAL A 88 6.926 3.449 4.084 1.00 0.00 C ATOM 0 H VAL A 88 7.044 0.957 5.355 1.00 0.00 H new ATOM 0 HA VAL A 88 5.844 1.406 2.837 1.00 0.00 H new ATOM 0 HB VAL A 88 8.512 1.953 4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.006 3.597 2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.948 1.930 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.581 3.033 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.590 4.304 4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.107 3.721 3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.523 3.155 5.053 1.00 0.00 H new ATOM 1383 N GLY A 89 8.272 -0.830 2.869 1.00 0.00 N ATOM 1384 CA GLY A 89 8.854 -1.915 2.099 1.00 0.00 C ATOM 1385 C GLY A 89 7.780 -2.932 1.741 1.00 0.00 C ATOM 1386 O GLY A 89 7.817 -3.489 0.643 1.00 0.00 O ATOM 0 H GLY A 89 8.617 -0.774 3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.312 -1.523 1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.645 -2.396 2.674 1.00 0.00 H new ATOM 1390 N ASP A 90 6.820 -3.154 2.647 1.00 0.00 N ATOM 1391 CA ASP A 90 5.620 -3.949 2.377 1.00 0.00 C ATOM 1392 C ASP A 90 4.863 -3.334 1.195 1.00 0.00 C ATOM 1393 O ASP A 90 4.587 -4.030 0.217 1.00 0.00 O ATOM 1394 CB ASP A 90 4.724 -3.996 3.630 1.00 0.00 C ATOM 1395 CG ASP A 90 4.299 -5.395 4.037 1.00 0.00 C ATOM 1396 OD1 ASP A 90 3.504 -6.041 3.328 1.00 0.00 O ATOM 1397 OD2 ASP A 90 4.698 -5.815 5.147 1.00 0.00 O ATOM 0 H ASP A 90 6.856 -2.783 3.596 1.00 0.00 H new ATOM 0 HA ASP A 90 5.906 -4.970 2.124 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.256 -3.533 4.461 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.833 -3.396 3.449 1.00 0.00 H new ATOM 1402 N LEU A 91 4.564 -2.028 1.301 1.00 0.00 N ATOM 1403 CA LEU A 91 3.770 -1.212 0.383 1.00 0.00 C ATOM 1404 C LEU A 91 4.341 -1.256 -1.019 1.00 0.00 C ATOM 1405 O LEU A 91 3.636 -1.692 -1.918 1.00 0.00 O ATOM 1406 CB LEU A 91 3.642 0.229 0.925 1.00 0.00 C ATOM 1407 CG LEU A 91 2.943 1.246 0.005 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.554 0.822 -0.485 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.794 2.573 0.763 1.00 0.00 C ATOM 0 H LEU A 91 4.899 -1.479 2.093 1.00 0.00 H new ATOM 0 HA LEU A 91 2.764 -1.627 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.098 0.192 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.642 0.601 1.148 1.00 0.00 H new ATOM 0 HG LEU A 91 3.573 1.330 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.141 1.601 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.635 -0.107 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.897 0.670 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.300 3.304 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.197 2.414 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.780 2.944 1.044 1.00 0.00 H new ATOM 1421 N VAL A 92 5.578 -0.803 -1.207 1.00 0.00 N ATOM 1422 CA VAL A 92 6.262 -0.745 -2.495 1.00 0.00 C ATOM 1423 C VAL A 92 6.101 -2.052 -3.256 1.00 0.00 C ATOM 1424 O VAL A 92 5.778 -2.029 -4.437 1.00 0.00 O ATOM 1425 CB VAL A 92 7.741 -0.417 -2.228 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.719 -0.888 -3.311 1.00 0.00 C ATOM 1427 CG2 VAL A 92 7.882 1.076 -1.951 1.00 0.00 C ATOM 0 H VAL A 92 6.151 -0.454 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 92 5.824 0.031 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 92 8.032 -0.994 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.735 -0.609 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.655 -1.971 -3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.464 -0.418 -4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.929 1.314 -1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.533 1.641 -2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.285 1.342 -1.078 1.00 0.00 H new ATOM 1437 N ASP A 93 6.328 -3.173 -2.581 1.00 0.00 N ATOM 1438 CA ASP A 93 6.314 -4.487 -3.204 1.00 0.00 C ATOM 1439 C ASP A 93 4.943 -4.746 -3.827 1.00 0.00 C ATOM 1440 O ASP A 93 4.825 -5.054 -5.013 1.00 0.00 O ATOM 1441 CB ASP A 93 6.623 -5.537 -2.138 1.00 0.00 C ATOM 1442 CG ASP A 93 7.896 -6.305 -2.439 1.00 0.00 C ATOM 1443 OD1 ASP A 93 7.877 -7.178 -3.334 1.00 0.00 O ATOM 1444 OD2 ASP A 93 8.894 -6.099 -1.715 1.00 0.00 O ATOM 0 H ASP A 93 6.528 -3.194 -1.581 1.00 0.00 H new ATOM 0 HA ASP A 93 7.066 -4.538 -3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.716 -5.050 -1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.789 -6.235 -2.066 1.00 0.00 H new ATOM 1449 N LEU A 94 3.890 -4.569 -3.024 1.00 0.00 N ATOM 1450 CA LEU A 94 2.512 -4.718 -3.462 1.00 0.00 C ATOM 1451 C LEU A 94 2.206 -3.715 -4.569 1.00 0.00 C ATOM 1452 O LEU A 94 1.546 -4.081 -5.533 1.00 0.00 O ATOM 1453 CB LEU A 94 1.558 -4.505 -2.280 1.00 0.00 C ATOM 1454 CG LEU A 94 1.667 -5.599 -1.205 1.00 0.00 C ATOM 1455 CD1 LEU A 94 1.314 -5.012 0.160 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.751 -6.774 -1.526 1.00 0.00 C ATOM 0 H LEU A 94 3.979 -4.315 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 94 2.371 -5.727 -3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.765 -3.536 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.534 -4.470 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 94 2.693 -5.968 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.392 -5.788 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.003 -4.202 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.295 -4.626 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.848 -7.533 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.282 -6.429 -1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.031 -7.201 -2.489 1.00 0.00 H new ATOM 1468 N LEU A 95 2.680 -2.468 -4.457 1.00 0.00 N ATOM 1469 CA LEU A 95 2.497 -1.430 -5.470 1.00 0.00 C ATOM 1470 C LEU A 95 3.055 -1.890 -6.818 1.00 0.00 C ATOM 1471 O LEU A 95 2.384 -1.738 -7.838 1.00 0.00 O ATOM 1472 CB LEU A 95 3.109 -0.083 -5.046 1.00 0.00 C ATOM 1473 CG LEU A 95 2.405 0.648 -3.897 1.00 0.00 C ATOM 1474 CD1 LEU A 95 3.151 1.953 -3.595 1.00 0.00 C ATOM 1475 CD2 LEU A 95 0.931 0.932 -4.189 1.00 0.00 C ATOM 0 H LEU A 95 3.210 -2.150 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 95 1.425 -1.266 -5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.147 -0.253 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.122 0.576 -5.914 1.00 0.00 H new ATOM 0 HG LEU A 95 2.426 -0.008 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.653 2.476 -2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.178 1.727 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.153 2.585 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.485 1.451 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.850 1.556 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.405 -0.008 -4.356 1.00 0.00 H new ATOM 1487 N VAL A 96 4.246 -2.484 -6.857 1.00 0.00 N ATOM 1488 CA VAL A 96 4.808 -3.031 -8.089 1.00 0.00 C ATOM 1489 C VAL A 96 3.989 -4.251 -8.566 1.00 0.00 C ATOM 1490 O VAL A 96 3.885 -4.479 -9.777 1.00 0.00 O ATOM 1491 CB VAL A 96 6.311 -3.329 -7.882 1.00 0.00 C ATOM 1492 CG1 VAL A 96 6.961 -3.885 -9.151 1.00 0.00 C ATOM 1493 CG2 VAL A 96 7.096 -2.049 -7.538 1.00 0.00 C ATOM 0 H VAL A 96 4.846 -2.599 -6.040 1.00 0.00 H new ATOM 0 HA VAL A 96 4.739 -2.299 -8.894 1.00 0.00 H new ATOM 0 HB VAL A 96 6.352 -4.054 -7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.017 -4.081 -8.963 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.465 -4.812 -9.437 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.865 -3.158 -9.958 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.149 -2.294 -7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.995 -1.331 -8.352 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.700 -1.615 -6.620 1.00 0.00 H new ATOM 1503 N GLN A 97 3.336 -5.000 -7.670 1.00 0.00 N ATOM 1504 CA GLN A 97 2.456 -6.105 -8.052 1.00 0.00 C ATOM 1505 C GLN A 97 1.181 -5.585 -8.744 1.00 0.00 C ATOM 1506 O GLN A 97 0.563 -6.320 -9.512 1.00 0.00 O ATOM 1507 CB GLN A 97 2.205 -7.069 -6.858 1.00 0.00 C ATOM 1508 CG GLN A 97 0.747 -7.216 -6.380 1.00 0.00 C ATOM 1509 CD GLN A 97 0.510 -8.381 -5.418 1.00 0.00 C ATOM 1510 OE1 GLN A 97 1.415 -8.962 -4.827 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -0.745 -8.760 -5.249 1.00 0.00 N ATOM 0 H GLN A 97 3.404 -4.856 -6.663 1.00 0.00 H new ATOM 0 HA GLN A 97 2.957 -6.716 -8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.573 -8.057 -7.135 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.807 -6.730 -6.015 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.443 -6.290 -5.892 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.104 -7.343 -7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.495 -8.275 -5.742 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.963 -9.537 -4.626 1.00 0.00 H new ATOM 1520 N ILE A 98 0.777 -4.328 -8.530 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.465 -3.747 -9.059 1.00 0.00 C ATOM 1522 C ILE A 98 -0.212 -2.706 -10.166 1.00 0.00 C ATOM 1523 O ILE A 98 -1.126 -1.957 -10.508 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.360 -3.224 -7.918 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.678 -2.092 -7.144 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.750 -4.359 -6.956 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.630 -1.262 -6.293 1.00 0.00 C ATOM 0 H ILE A 98 1.317 -3.669 -7.970 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.018 -4.547 -9.551 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.266 -2.827 -8.376 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.091 -2.518 -6.500 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.173 -1.435 -7.852 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.381 -3.962 -6.161 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.296 -5.128 -7.503 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.850 -4.793 -6.521 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.071 -0.482 -5.777 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.385 -0.805 -6.933 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.117 -1.905 -5.560 1.00 0.00 H new ATOM 1539 N GLU A 99 1.006 -2.663 -10.719 1.00 0.00 N ATOM 1540 CA GLU A 99 1.478 -1.717 -11.738 1.00 0.00 C ATOM 1541 C GLU A 99 1.556 -0.265 -11.254 1.00 0.00 C ATOM 1542 O GLU A 99 1.657 0.663 -12.061 1.00 0.00 O ATOM 1543 CB GLU A 99 0.720 -1.847 -13.077 1.00 0.00 C ATOM 1544 CG GLU A 99 0.955 -3.197 -13.753 1.00 0.00 C ATOM 1545 CD GLU A 99 0.542 -3.171 -15.228 1.00 0.00 C ATOM 1546 OE1 GLU A 99 1.319 -2.634 -16.060 1.00 0.00 O ATOM 1547 OE2 GLU A 99 -0.536 -3.716 -15.560 1.00 0.00 O ATOM 0 H GLU A 99 1.732 -3.327 -10.451 1.00 0.00 H new ATOM 0 HA GLU A 99 2.509 -2.014 -11.931 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.347 -1.713 -12.901 1.00 0.00 H new ATOM 0 HB3 GLU A 99 1.035 -1.048 -13.748 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.009 -3.465 -13.675 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.390 -3.969 -13.230 1.00 0.00 H new ATOM 1554 N LEU A 100 1.556 -0.030 -9.942 1.00 0.00 N ATOM 1555 CA LEU A 100 1.598 1.323 -9.384 1.00 0.00 C ATOM 1556 C LEU A 100 3.051 1.721 -9.150 1.00 0.00 C ATOM 1557 O LEU A 100 3.502 1.978 -8.032 1.00 0.00 O ATOM 1558 CB LEU A 100 0.697 1.476 -8.147 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.731 1.994 -8.428 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.725 3.398 -9.050 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -1.559 1.068 -9.321 1.00 0.00 C ATOM 0 H LEU A 100 1.527 -0.768 -9.238 1.00 0.00 H new ATOM 0 HA LEU A 100 1.176 2.025 -10.103 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.623 0.509 -7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.181 2.157 -7.448 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.202 2.026 -7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.750 3.721 -9.230 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.239 4.096 -8.368 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.181 3.375 -9.994 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.549 1.499 -9.473 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.062 0.951 -10.284 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.657 0.093 -8.843 1.00 0.00 H new ATOM 1573 N PHE A 101 3.802 1.774 -10.243 1.00 0.00 N ATOM 1574 CA PHE A 101 5.240 1.946 -10.179 1.00 0.00 C ATOM 1575 C PHE A 101 5.612 3.353 -9.719 1.00 0.00 C ATOM 1576 O PHE A 101 6.516 3.482 -8.905 1.00 0.00 O ATOM 1577 CB PHE A 101 5.900 1.597 -11.518 1.00 0.00 C ATOM 1578 CG PHE A 101 5.459 0.272 -12.112 1.00 0.00 C ATOM 1579 CD1 PHE A 101 5.723 -0.934 -11.437 1.00 0.00 C ATOM 1580 CD2 PHE A 101 4.742 0.252 -13.322 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.258 -2.150 -11.976 1.00 0.00 C ATOM 1582 CE2 PHE A 101 4.330 -0.966 -13.884 1.00 0.00 C ATOM 1583 CZ PHE A 101 4.601 -2.168 -13.217 1.00 0.00 C ATOM 0 H PHE A 101 3.431 1.699 -11.190 1.00 0.00 H new ATOM 0 HA PHE A 101 5.624 1.250 -9.434 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.684 2.391 -12.233 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.981 1.577 -11.381 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.279 -0.928 -10.511 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.507 1.180 -13.822 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.407 -3.071 -11.433 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.805 -0.977 -14.828 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.305 -3.109 -13.657 1.00 0.00 H new ATOM 1593 N ALA A 102 4.914 4.405 -10.161 1.00 0.00 N ATOM 1594 CA ALA A 102 5.186 5.780 -9.737 1.00 0.00 C ATOM 1595 C ALA A 102 5.254 5.922 -8.201 1.00 0.00 C ATOM 1596 O ALA A 102 6.295 6.334 -7.690 1.00 0.00 O ATOM 1597 CB ALA A 102 4.189 6.752 -10.379 1.00 0.00 C ATOM 0 H ALA A 102 4.143 4.325 -10.824 1.00 0.00 H new ATOM 0 HA ALA A 102 6.180 6.047 -10.097 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.409 7.768 -10.051 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.273 6.695 -11.464 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.176 6.485 -10.079 1.00 0.00 H new ATOM 1603 N PRO A 103 4.213 5.568 -7.421 1.00 0.00 N ATOM 1604 CA PRO A 103 4.277 5.662 -5.967 1.00 0.00 C ATOM 1605 C PRO A 103 5.258 4.663 -5.337 1.00 0.00 C ATOM 1606 O PRO A 103 5.860 5.009 -4.321 1.00 0.00 O ATOM 1607 CB PRO A 103 2.848 5.469 -5.462 1.00 0.00 C ATOM 1608 CG PRO A 103 2.167 4.715 -6.592 1.00 0.00 C ATOM 1609 CD PRO A 103 2.875 5.199 -7.843 1.00 0.00 C ATOM 0 HA PRO A 103 4.670 6.635 -5.671 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.825 4.902 -4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.360 6.424 -5.266 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.269 3.637 -6.469 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.100 4.933 -6.629 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.906 4.417 -8.602 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.355 6.050 -8.283 1.00 0.00 H new ATOM 1617 N ALA A 104 5.470 3.475 -5.924 1.00 0.00 N ATOM 1618 CA ALA A 104 6.524 2.549 -5.500 1.00 0.00 C ATOM 1619 C ALA A 104 7.872 3.280 -5.563 1.00 0.00 C ATOM 1620 O ALA A 104 8.598 3.325 -4.576 1.00 0.00 O ATOM 1621 CB ALA A 104 6.515 1.302 -6.394 1.00 0.00 C ATOM 0 H ALA A 104 4.913 3.132 -6.707 1.00 0.00 H new ATOM 0 HA ALA A 104 6.352 2.218 -4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.301 0.618 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.548 0.805 -6.316 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.690 1.595 -7.429 1.00 0.00 H new ATOM 1627 N THR A 105 8.160 3.933 -6.688 1.00 0.00 N ATOM 1628 CA THR A 105 9.383 4.679 -6.939 1.00 0.00 C ATOM 1629 C THR A 105 9.506 5.868 -5.979 1.00 0.00 C ATOM 1630 O THR A 105 10.597 6.183 -5.512 1.00 0.00 O ATOM 1631 CB THR A 105 9.360 5.195 -8.388 1.00 0.00 C ATOM 1632 OG1 THR A 105 9.017 4.203 -9.328 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.703 5.767 -8.818 1.00 0.00 C ATOM 0 H THR A 105 7.518 3.955 -7.480 1.00 0.00 H new ATOM 0 HA THR A 105 10.237 4.020 -6.781 1.00 0.00 H new ATOM 0 HB THR A 105 8.595 5.971 -8.379 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.042 4.104 -9.359 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.636 6.118 -9.848 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.969 6.600 -8.167 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.467 4.993 -8.747 1.00 0.00 H new ATOM 1641 N LEU A 106 8.403 6.572 -5.707 1.00 0.00 N ATOM 1642 CA LEU A 106 8.410 7.764 -4.868 1.00 0.00 C ATOM 1643 C LEU A 106 8.834 7.403 -3.444 1.00 0.00 C ATOM 1644 O LEU A 106 9.510 8.177 -2.768 1.00 0.00 O ATOM 1645 CB LEU A 106 7.001 8.378 -4.904 1.00 0.00 C ATOM 1646 CG LEU A 106 6.779 9.544 -3.926 1.00 0.00 C ATOM 1647 CD1 LEU A 106 7.727 10.716 -4.185 1.00 0.00 C ATOM 1648 CD2 LEU A 106 5.335 10.038 -4.048 1.00 0.00 C ATOM 0 H LEU A 106 7.480 6.327 -6.066 1.00 0.00 H new ATOM 0 HA LEU A 106 9.129 8.495 -5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.799 8.728 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.274 7.596 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 106 6.982 9.169 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.527 11.511 -3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.758 10.380 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.572 11.093 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.174 10.865 -3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.151 10.377 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.651 9.225 -3.807 1.00 0.00 H new ATOM 1660 N LEU A 107 8.423 6.221 -2.989 1.00 0.00 N ATOM 1661 CA LEU A 107 8.833 5.665 -1.714 1.00 0.00 C ATOM 1662 C LEU A 107 10.268 5.155 -1.824 1.00 0.00 C ATOM 1663 O LEU A 107 11.105 5.534 -1.008 1.00 0.00 O ATOM 1664 CB LEU A 107 7.873 4.540 -1.317 1.00 0.00 C ATOM 1665 CG LEU A 107 6.437 5.019 -1.022 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.484 3.828 -1.101 1.00 0.00 C ATOM 1667 CD2 LEU A 107 6.312 5.702 0.347 1.00 0.00 C ATOM 0 H LEU A 107 7.786 5.618 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 107 8.799 6.432 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.842 3.802 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.266 4.035 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 107 6.176 5.765 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.467 4.161 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.527 3.394 -2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.777 3.078 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.281 6.019 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.598 5.001 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.968 6.572 0.381 1.00 0.00 H new ATOM 1679 N LEU A 108 10.561 4.305 -2.811 1.00 0.00 N ATOM 1680 CA LEU A 108 11.827 3.608 -2.999 1.00 0.00 C ATOM 1681 C LEU A 108 12.185 3.609 -4.483 1.00 0.00 C ATOM 1682 O LEU A 108 11.751 2.724 -5.224 1.00 0.00 O ATOM 1683 CB LEU A 108 11.721 2.172 -2.481 1.00 0.00 C ATOM 1684 CG LEU A 108 12.254 2.011 -1.057 1.00 0.00 C ATOM 1685 CD1 LEU A 108 11.681 0.757 -0.392 1.00 0.00 C ATOM 1686 CD2 LEU A 108 13.786 1.945 -1.081 1.00 0.00 C ATOM 0 H LEU A 108 9.882 4.075 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 108 12.609 4.119 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.678 1.857 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.273 1.509 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 108 11.939 2.875 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.077 0.668 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.594 0.831 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 108 11.963 -0.123 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 108 14.161 1.830 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.104 1.094 -1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.183 2.864 -1.513 1.00 0.00 H new ATOM 1698 N PRO A 109 12.999 4.569 -4.938 1.00 0.00 N ATOM 1699 CA PRO A 109 13.310 4.704 -6.351 1.00 0.00 C ATOM 1700 C PRO A 109 14.249 3.578 -6.803 1.00 0.00 C ATOM 1701 O PRO A 109 14.264 3.226 -7.982 1.00 0.00 O ATOM 1702 CB PRO A 109 13.920 6.101 -6.490 1.00 0.00 C ATOM 1703 CG PRO A 109 14.508 6.403 -5.109 1.00 0.00 C ATOM 1704 CD PRO A 109 13.623 5.611 -4.146 1.00 0.00 C ATOM 0 HA PRO A 109 12.436 4.610 -6.995 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.689 6.123 -7.262 1.00 0.00 H new ATOM 0 HB3 PRO A 109 13.166 6.837 -6.770 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.550 6.090 -5.042 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.481 7.470 -4.889 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.214 5.184 -3.336 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.872 6.255 -3.688 1.00 0.00 H new ATOM 1712 N ASP A 110 15.007 2.996 -5.868 1.00 0.00 N ATOM 1713 CA ASP A 110 15.925 1.893 -6.116 1.00 0.00 C ATOM 1714 C ASP A 110 15.204 0.544 -6.108 1.00 0.00 C ATOM 1715 O ASP A 110 15.687 -0.376 -6.765 1.00 0.00 O ATOM 1716 CB ASP A 110 17.043 1.857 -5.061 1.00 0.00 C ATOM 1717 CG ASP A 110 18.051 2.994 -5.216 1.00 0.00 C ATOM 1718 OD1 ASP A 110 17.714 4.134 -4.817 1.00 0.00 O ATOM 1719 OD2 ASP A 110 19.216 2.745 -5.607 1.00 0.00 O ATOM 0 H ASP A 110 14.994 3.292 -4.892 1.00 0.00 H new ATOM 0 HA ASP A 110 16.354 2.063 -7.103 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.598 1.907 -4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 110 17.567 0.904 -5.128 1.00 0.00 H new ATOM 1724 N ALA A 111 14.102 0.381 -5.356 1.00 0.00 N ATOM 1725 CA ALA A 111 13.463 -0.932 -5.232 1.00 0.00 C ATOM 1726 C ALA A 111 12.807 -1.371 -6.539 1.00 0.00 C ATOM 1727 O ALA A 111 12.982 -2.517 -6.957 1.00 0.00 O ATOM 1728 CB ALA A 111 12.408 -0.929 -4.126 1.00 0.00 C ATOM 0 H ALA A 111 13.645 1.130 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 111 14.254 -1.638 -4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.951 -1.916 -4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.879 -0.680 -3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.641 -0.189 -4.356 1.00 0.00 H new ATOM 1734 N VAL A 112 12.022 -0.479 -7.146 1.00 0.00 N ATOM 1735 CA VAL A 112 11.230 -0.763 -8.337 1.00 0.00 C ATOM 1736 C VAL A 112 12.154 -1.282 -9.457 1.00 0.00 C ATOM 1737 O VAL A 112 13.187 -0.660 -9.726 1.00 0.00 O ATOM 1738 CB VAL A 112 10.422 0.495 -8.734 1.00 0.00 C ATOM 1739 CG1 VAL A 112 11.308 1.752 -8.816 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.641 0.317 -10.043 1.00 0.00 C ATOM 0 H VAL A 112 11.919 0.480 -6.814 1.00 0.00 H new ATOM 0 HA VAL A 112 10.502 -1.551 -8.142 1.00 0.00 H new ATOM 0 HB VAL A 112 9.696 0.634 -7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.697 2.610 -9.098 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.768 1.937 -7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.087 1.600 -9.563 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.095 1.233 -10.268 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.336 0.100 -10.855 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.937 -0.509 -9.937 1.00 0.00 H new ATOM 1750 N PRO A 113 11.812 -2.389 -10.138 1.00 0.00 N ATOM 1751 CA PRO A 113 12.586 -2.909 -11.256 1.00 0.00 C ATOM 1752 C PRO A 113 12.382 -2.021 -12.488 1.00 0.00 C ATOM 1753 O PRO A 113 11.588 -2.330 -13.378 1.00 0.00 O ATOM 1754 CB PRO A 113 12.110 -4.351 -11.435 1.00 0.00 C ATOM 1755 CG PRO A 113 10.655 -4.291 -10.974 1.00 0.00 C ATOM 1756 CD PRO A 113 10.692 -3.267 -9.847 1.00 0.00 C ATOM 0 HA PRO A 113 13.663 -2.902 -11.087 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.192 -4.678 -12.472 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.696 -5.047 -10.834 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.989 -3.980 -11.779 1.00 0.00 H new ATOM 0 HG3 PRO A 113 10.302 -5.262 -10.625 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.759 -2.706 -9.799 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.820 -3.755 -8.881 1.00 0.00 H new ATOM 1764 N GLN A 114 13.069 -0.882 -12.500 1.00 0.00 N ATOM 1765 CA GLN A 114 13.201 0.061 -13.599 1.00 0.00 C ATOM 1766 C GLN A 114 14.537 0.774 -13.418 1.00 0.00 C ATOM 1767 O GLN A 114 15.346 0.762 -14.344 1.00 0.00 O ATOM 1768 CB GLN A 114 12.032 1.071 -13.621 1.00 0.00 C ATOM 1769 CG GLN A 114 10.968 0.689 -14.659 1.00 0.00 C ATOM 1770 CD GLN A 114 9.781 1.646 -14.642 1.00 0.00 C ATOM 1771 OE1 GLN A 114 9.860 2.740 -15.203 1.00 0.00 O ATOM 1772 NE2 GLN A 114 8.664 1.261 -14.049 1.00 0.00 N ATOM 0 H GLN A 114 13.586 -0.574 -11.677 1.00 0.00 H new ATOM 0 HA GLN A 114 13.169 -0.464 -14.554 1.00 0.00 H new ATOM 0 HB2 GLN A 114 11.575 1.119 -12.633 1.00 0.00 H new ATOM 0 HB3 GLN A 114 12.416 2.067 -13.844 1.00 0.00 H new ATOM 0 HG2 GLN A 114 11.416 0.686 -15.653 1.00 0.00 H new ATOM 0 HG3 GLN A 114 10.619 -0.325 -14.463 1.00 0.00 H new ATOM 0 HE21 GLN A 114 8.618 0.351 -13.590 1.00 0.00 H new ATOM 0 HE22 GLN A 114 7.848 1.873 -14.051 1.00 0.00 H new ATOM 1781 N THR A 115 14.749 1.390 -12.243 1.00 0.00 N ATOM 1782 CA THR A 115 15.957 2.088 -11.771 1.00 0.00 C ATOM 1783 C THR A 115 16.575 3.141 -12.719 1.00 0.00 C ATOM 1784 O THR A 115 17.581 3.766 -12.376 1.00 0.00 O ATOM 1785 CB THR A 115 16.976 1.063 -11.216 1.00 0.00 C ATOM 1786 OG1 THR A 115 17.045 -0.126 -11.979 1.00 0.00 O ATOM 1787 CG2 THR A 115 16.592 0.625 -9.802 1.00 0.00 C ATOM 0 H THR A 115 14.014 1.414 -11.536 1.00 0.00 H new ATOM 0 HA THR A 115 15.621 2.731 -10.958 1.00 0.00 H new ATOM 0 HB THR A 115 17.935 1.581 -11.246 1.00 0.00 H new ATOM 0 HG1 THR A 115 17.705 -0.732 -11.581 1.00 0.00 H new ATOM 0 HG21 THR A 115 17.322 -0.095 -9.433 1.00 0.00 H new ATOM 0 HG22 THR A 115 16.575 1.494 -9.144 1.00 0.00 H new ATOM 0 HG23 THR A 115 15.605 0.164 -9.820 1.00 0.00 H new ATOM 1795 N VAL A 116 15.975 3.378 -13.883 1.00 0.00 N ATOM 1796 CA VAL A 116 16.452 4.251 -14.937 1.00 0.00 C ATOM 1797 C VAL A 116 16.480 5.708 -14.469 1.00 0.00 C ATOM 1798 O VAL A 116 15.757 6.106 -13.549 1.00 0.00 O ATOM 1799 CB VAL A 116 15.561 4.010 -16.175 1.00 0.00 C ATOM 1800 CG1 VAL A 116 14.108 4.468 -15.973 1.00 0.00 C ATOM 1801 CG2 VAL A 116 16.129 4.660 -17.439 1.00 0.00 C ATOM 0 H VAL A 116 15.088 2.935 -14.124 1.00 0.00 H new ATOM 0 HA VAL A 116 17.484 4.026 -15.206 1.00 0.00 H new ATOM 0 HB VAL A 116 15.558 2.928 -16.307 1.00 0.00 H new ATOM 0 HG11 VAL A 116 13.535 4.271 -16.879 1.00 0.00 H new ATOM 0 HG12 VAL A 116 13.667 3.922 -15.139 1.00 0.00 H new ATOM 0 HG13 VAL A 116 14.090 5.536 -15.758 1.00 0.00 H new ATOM 0 HG21 VAL A 116 15.465 4.461 -18.280 1.00 0.00 H new ATOM 0 HG22 VAL A 116 16.212 5.736 -17.289 1.00 0.00 H new ATOM 0 HG23 VAL A 116 17.115 4.246 -17.649 1.00 0.00 H new ATOM 1811 N LYS A 117 17.272 6.537 -15.150 1.00 0.00 N ATOM 1812 CA LYS A 117 17.324 7.972 -14.919 1.00 0.00 C ATOM 1813 C LYS A 117 17.574 8.703 -16.231 1.00 0.00 C ATOM 1814 O LYS A 117 18.271 8.165 -17.100 1.00 0.00 O ATOM 1815 CB LYS A 117 18.409 8.257 -13.867 1.00 0.00 C ATOM 1816 CG LYS A 117 19.854 7.981 -14.335 1.00 0.00 C ATOM 1817 CD LYS A 117 20.794 7.415 -13.261 1.00 0.00 C ATOM 1818 CE LYS A 117 21.024 8.312 -12.037 1.00 0.00 C ATOM 1819 NZ LYS A 117 19.906 8.261 -11.071 1.00 0.00 N ATOM 0 H LYS A 117 17.902 6.221 -15.887 1.00 0.00 H new ATOM 0 HA LYS A 117 16.372 8.339 -14.535 1.00 0.00 H new ATOM 0 HB2 LYS A 117 18.334 9.301 -13.562 1.00 0.00 H new ATOM 0 HB3 LYS A 117 18.206 7.652 -12.984 1.00 0.00 H new ATOM 0 HG2 LYS A 117 19.821 7.282 -15.170 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.280 8.910 -14.714 1.00 0.00 H new ATOM 0 HD2 LYS A 117 20.392 6.461 -12.919 1.00 0.00 H new ATOM 0 HD3 LYS A 117 21.759 7.207 -13.722 1.00 0.00 H new ATOM 0 HE2 LYS A 117 21.944 8.008 -11.537 1.00 0.00 H new ATOM 0 HE3 LYS A 117 21.166 9.341 -12.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 20.247 8.543 -10.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 19.154 8.911 -11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 19.529 7.293 -11.027 1.00 0.00 H new ATOM 1833 N SER A 118 17.052 9.923 -16.332 1.00 0.00 N ATOM 1834 CA SER A 118 17.518 11.011 -17.177 1.00 0.00 C ATOM 1835 C SER A 118 17.014 12.313 -16.556 1.00 0.00 C ATOM 1836 O SER A 118 15.974 12.330 -15.891 1.00 0.00 O ATOM 1837 CB SER A 118 16.985 10.871 -18.611 1.00 0.00 C ATOM 1838 OG SER A 118 17.849 10.046 -19.370 1.00 0.00 O ATOM 0 H SER A 118 16.234 10.193 -15.785 1.00 0.00 H new ATOM 0 HA SER A 118 18.606 10.997 -17.236 1.00 0.00 H new ATOM 0 HB2 SER A 118 15.982 10.444 -18.595 1.00 0.00 H new ATOM 0 HB3 SER A 118 16.906 11.854 -19.076 1.00 0.00 H new ATOM 0 HG SER A 118 18.155 9.297 -18.817 1.00 0.00 H new ATOM 1844 N LEU A 119 17.744 13.401 -16.788 1.00 0.00 N ATOM 1845 CA LEU A 119 17.356 14.781 -16.504 1.00 0.00 C ATOM 1846 C LEU A 119 17.662 15.623 -17.751 1.00 0.00 C ATOM 1847 O LEU A 119 18.613 15.295 -18.474 1.00 0.00 O ATOM 1848 CB LEU A 119 18.169 15.352 -15.321 1.00 0.00 C ATOM 1849 CG LEU A 119 17.677 15.096 -13.883 1.00 0.00 C ATOM 1850 CD1 LEU A 119 16.222 15.509 -13.682 1.00 0.00 C ATOM 1851 CD2 LEU A 119 17.869 13.663 -13.394 1.00 0.00 C ATOM 0 H LEU A 119 18.674 13.340 -17.202 1.00 0.00 H new ATOM 0 HA LEU A 119 16.297 14.809 -16.247 1.00 0.00 H new ATOM 0 HB2 LEU A 119 19.182 14.957 -15.397 1.00 0.00 H new ATOM 0 HB3 LEU A 119 18.236 16.431 -15.458 1.00 0.00 H new ATOM 0 HG LEU A 119 18.321 15.731 -13.275 1.00 0.00 H new ATOM 0 HD11 LEU A 119 15.926 15.308 -12.653 1.00 0.00 H new ATOM 0 HD12 LEU A 119 16.114 16.574 -13.889 1.00 0.00 H new ATOM 0 HD13 LEU A 119 15.586 14.941 -14.361 1.00 0.00 H new ATOM 0 HD21 LEU A 119 17.495 13.574 -12.374 1.00 0.00 H new ATOM 0 HD22 LEU A 119 17.320 12.981 -14.043 1.00 0.00 H new ATOM 0 HD23 LEU A 119 18.929 13.410 -13.416 1.00 0.00 H new ATOM 1863 N PRO A 120 16.936 16.724 -18.002 1.00 0.00 N ATOM 1864 CA PRO A 120 17.283 17.661 -19.065 1.00 0.00 C ATOM 1865 C PRO A 120 18.548 18.452 -18.678 1.00 0.00 C ATOM 1866 O PRO A 120 18.906 18.485 -17.495 1.00 0.00 O ATOM 1867 CB PRO A 120 16.055 18.566 -19.184 1.00 0.00 C ATOM 1868 CG PRO A 120 15.528 18.631 -17.752 1.00 0.00 C ATOM 1869 CD PRO A 120 15.810 17.225 -17.224 1.00 0.00 C ATOM 0 HA PRO A 120 17.514 17.175 -20.013 1.00 0.00 H new ATOM 0 HB2 PRO A 120 16.318 19.554 -19.561 1.00 0.00 H new ATOM 0 HB3 PRO A 120 15.314 18.151 -19.867 1.00 0.00 H new ATOM 0 HG2 PRO A 120 16.041 19.394 -17.166 1.00 0.00 H new ATOM 0 HG3 PRO A 120 14.465 18.868 -17.723 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.049 17.248 -16.161 1.00 0.00 H new ATOM 0 HD3 PRO A 120 14.938 16.582 -17.341 1.00 0.00 H new ATOM 1877 N PRO A 121 19.232 19.111 -19.628 1.00 0.00 N ATOM 1878 CA PRO A 121 20.317 20.029 -19.308 1.00 0.00 C ATOM 1879 C PRO A 121 19.735 21.248 -18.584 1.00 0.00 C ATOM 1880 O PRO A 121 18.912 21.966 -19.153 1.00 0.00 O ATOM 1881 CB PRO A 121 20.964 20.390 -20.647 1.00 0.00 C ATOM 1882 CG PRO A 121 19.839 20.198 -21.664 1.00 0.00 C ATOM 1883 CD PRO A 121 18.982 19.083 -21.063 1.00 0.00 C ATOM 0 HA PRO A 121 21.067 19.600 -18.643 1.00 0.00 H new ATOM 0 HB2 PRO A 121 21.333 21.416 -20.649 1.00 0.00 H new ATOM 0 HB3 PRO A 121 21.815 19.745 -20.866 1.00 0.00 H new ATOM 0 HG2 PRO A 121 19.264 21.114 -21.800 1.00 0.00 H new ATOM 0 HG3 PRO A 121 20.229 19.918 -22.642 1.00 0.00 H new ATOM 0 HD2 PRO A 121 17.926 19.244 -21.278 1.00 0.00 H new ATOM 0 HD3 PRO A 121 19.249 18.115 -21.486 1.00 0.00 H new ATOM 1891 N SER A 122 20.100 21.449 -17.317 1.00 0.00 N ATOM 1892 CA SER A 122 19.755 22.669 -16.601 1.00 0.00 C ATOM 1893 C SER A 122 20.538 23.832 -17.223 1.00 0.00 C ATOM 1894 O SER A 122 21.646 23.631 -17.722 1.00 0.00 O ATOM 1895 CB SER A 122 20.077 22.490 -15.110 1.00 0.00 C ATOM 1896 OG SER A 122 19.332 23.400 -14.324 1.00 0.00 O ATOM 0 H SER A 122 20.636 20.778 -16.768 1.00 0.00 H new ATOM 0 HA SER A 122 18.690 22.887 -16.683 1.00 0.00 H new ATOM 0 HB2 SER A 122 19.851 21.468 -14.804 1.00 0.00 H new ATOM 0 HB3 SER A 122 21.143 22.645 -14.942 1.00 0.00 H new ATOM 0 HG SER A 122 19.550 23.269 -13.377 1.00 0.00 H new ATOM 1902 N GLY A 123 19.983 25.043 -17.168 1.00 0.00 N ATOM 1903 CA GLY A 123 20.606 26.227 -17.739 1.00 0.00 C ATOM 1904 C GLY A 123 19.660 27.422 -17.671 1.00 0.00 C ATOM 1905 O GLY A 123 19.052 27.745 -18.691 1.00 0.00 O ATOM 0 H GLY A 123 19.084 25.226 -16.723 1.00 0.00 H new ATOM 0 HA2 GLY A 123 21.526 26.455 -17.201 1.00 0.00 H new ATOM 0 HA3 GLY A 123 20.882 26.034 -18.776 1.00 0.00 H new ATOM 1909 N PRO A 124 19.486 28.057 -16.497 1.00 0.00 N ATOM 1910 CA PRO A 124 18.763 29.318 -16.404 1.00 0.00 C ATOM 1911 C PRO A 124 19.563 30.447 -17.059 1.00 0.00 C ATOM 1912 O PRO A 124 20.780 30.346 -17.217 1.00 0.00 O ATOM 1913 CB PRO A 124 18.593 29.577 -14.905 1.00 0.00 C ATOM 1914 CG PRO A 124 19.810 28.886 -14.289 1.00 0.00 C ATOM 1915 CD PRO A 124 20.045 27.685 -15.206 1.00 0.00 C ATOM 0 HA PRO A 124 17.803 29.275 -16.919 1.00 0.00 H new ATOM 0 HB2 PRO A 124 18.579 30.643 -14.680 1.00 0.00 H new ATOM 0 HB3 PRO A 124 17.659 29.159 -14.528 1.00 0.00 H new ATOM 0 HG2 PRO A 124 20.676 29.547 -14.264 1.00 0.00 H new ATOM 0 HG3 PRO A 124 19.617 28.575 -13.262 1.00 0.00 H new ATOM 0 HD2 PRO A 124 21.108 27.460 -15.290 1.00 0.00 H new ATOM 0 HD3 PRO A 124 19.560 26.792 -14.813 1.00 0.00 H new ATOM 1923 N SER A 125 18.892 31.556 -17.367 1.00 0.00 N ATOM 1924 CA SER A 125 19.548 32.812 -17.705 1.00 0.00 C ATOM 1925 C SER A 125 19.959 33.525 -16.410 1.00 0.00 C ATOM 1926 O SER A 125 21.140 33.743 -16.155 1.00 0.00 O ATOM 1927 CB SER A 125 18.609 33.660 -18.576 1.00 0.00 C ATOM 1928 OG SER A 125 17.346 33.845 -17.958 1.00 0.00 O ATOM 0 H SER A 125 17.873 31.606 -17.388 1.00 0.00 H new ATOM 0 HA SER A 125 20.453 32.636 -18.286 1.00 0.00 H new ATOM 0 HB2 SER A 125 19.067 34.631 -18.766 1.00 0.00 H new ATOM 0 HB3 SER A 125 18.474 33.176 -19.543 1.00 0.00 H new ATOM 0 HG SER A 125 16.775 34.390 -18.538 1.00 0.00 H new ATOM 1934 N SER A 126 18.966 33.902 -15.601 1.00 0.00 N ATOM 1935 CA SER A 126 19.133 34.603 -14.329 1.00 0.00 C ATOM 1936 C SER A 126 17.969 34.347 -13.357 1.00 0.00 C ATOM 1937 O SER A 126 18.051 34.731 -12.193 1.00 0.00 O ATOM 1938 CB SER A 126 19.314 36.104 -14.609 1.00 0.00 C ATOM 1939 OG SER A 126 18.367 36.585 -15.549 1.00 0.00 O ATOM 0 H SER A 126 17.987 33.720 -15.824 1.00 0.00 H new ATOM 0 HA SER A 126 20.022 34.213 -13.833 1.00 0.00 H new ATOM 0 HB2 SER A 126 19.216 36.661 -13.677 1.00 0.00 H new ATOM 0 HB3 SER A 126 20.321 36.284 -14.984 1.00 0.00 H new ATOM 0 HG SER A 126 18.513 37.542 -15.700 1.00 0.00 H new ATOM 1945 N GLY A 127 16.900 33.688 -13.807 1.00 0.00 N ATOM 1946 CA GLY A 127 15.682 33.430 -13.069 1.00 0.00 C ATOM 1947 C GLY A 127 14.629 33.025 -14.079 1.00 0.00 C ATOM 1948 O GLY A 127 14.984 32.662 -15.224 1.00 0.00 O ATOM 0 H GLY A 127 16.869 33.302 -14.751 1.00 0.00 H new ATOM 0 HA2 GLY A 127 15.836 32.639 -12.335 1.00 0.00 H new ATOM 0 HA3 GLY A 127 15.368 34.318 -12.520 1.00 0.00 H new TER 1952 GLY A 127