USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 752 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 32 SER OG : rot -165:sc= 0.0241 USER MOD Set 1.2: A 35 LYS NZ :NH3+ 153:sc= 0.699 (180deg=-0.303) USER MOD Set 1.3: A 64 MET CE :methyl -161:sc= -0.875 (180deg=-0.683) USER MOD Single : A 10 LYS NZ :NH3+ -132:sc= 0.0563 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= -0.321 (180deg=-0.574) USER MOD Single : A 16 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.0193) USER MOD Single : A 17 TYR OH : rot 60:sc= -2.02! USER MOD Single : A 23 SER OG : rot 66:sc= 1.2 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.459! K(o=-0.46!,f=-1.4) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -2.67 F(o=-7.5!,f=-2.7) USER MOD Single : A 43 SER OG : rot 26:sc= -1.63! USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= -0.303 (180deg=-1.94!) USER MOD Single : A 57 SER OG : rot 52:sc= -6.78! USER MOD Single : A 61 HIS :FLIP+bothHN:sc= -2.29 F(o=-5.6!,f=-2.3) USER MOD Single : A 74 MET CE :methyl 141:sc= -3.53! (180deg=-5.46!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -170:sc= -2.29! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 150:sc= -0.589 (180deg=-2.55!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -91:sc= -0.211 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 -15.163 -4.385 17.483 1.00 0.00 N ATOM 2 CA PRO A 6 -13.990 -3.615 17.964 1.00 0.00 C ATOM 3 C PRO A 6 -13.136 -3.141 16.784 1.00 0.00 C ATOM 4 O PRO A 6 -13.438 -3.410 15.639 1.00 0.00 O ATOM 5 CB PRO A 6 -13.225 -4.625 18.815 1.00 0.00 C ATOM 6 CG PRO A 6 -13.630 -5.965 18.287 1.00 0.00 C ATOM 7 CD PRO A 6 -15.025 -5.823 17.736 1.00 0.00 C ATOM 0 HA PRO A 6 -14.266 -2.717 18.517 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.148 -4.477 18.730 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.479 -4.524 19.870 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.941 -6.297 17.510 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.603 -6.714 19.078 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -15.154 -6.403 16.822 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.772 -6.177 18.446 1.00 0.00 H new ATOM 15 N TRP A 7 -12.070 -2.439 17.058 1.00 0.00 N ATOM 16 CA TRP A 7 -11.191 -1.948 15.958 1.00 0.00 C ATOM 17 C TRP A 7 -10.218 -3.053 15.536 1.00 0.00 C ATOM 18 O TRP A 7 -9.460 -3.563 16.336 1.00 0.00 O ATOM 19 CB TRP A 7 -10.435 -0.766 16.568 1.00 0.00 C ATOM 20 CG TRP A 7 -9.565 -0.137 15.530 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.748 -0.247 14.197 1.00 0.00 C ATOM 22 CD2 TRP A 7 -8.386 0.698 15.717 1.00 0.00 C ATOM 23 NE1 TRP A 7 -8.755 0.465 13.550 1.00 0.00 N ATOM 24 CE2 TRP A 7 -7.892 1.067 14.443 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.704 1.167 16.854 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -6.761 1.871 14.302 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -6.565 1.976 16.717 1.00 0.00 C ATOM 28 CH2 TRP A 7 -6.095 2.328 15.444 1.00 0.00 C ATOM 0 H TRP A 7 -11.769 -2.184 17.999 1.00 0.00 H new ATOM 0 HA TRP A 7 -11.750 -1.660 15.067 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -11.141 -0.033 16.958 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.829 -1.104 17.409 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.540 -0.800 13.715 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.671 0.537 12.536 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.059 0.903 17.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.402 2.139 13.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.048 2.329 17.597 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.219 2.952 15.345 1.00 0.00 H new ATOM 39 N ALA A 8 -10.240 -3.433 14.287 1.00 0.00 N ATOM 40 CA ALA A 8 -9.321 -4.511 13.823 1.00 0.00 C ATOM 41 C ALA A 8 -7.929 -4.315 14.423 1.00 0.00 C ATOM 42 O ALA A 8 -7.193 -5.259 14.635 1.00 0.00 O ATOM 43 CB ALA A 8 -9.268 -4.369 12.306 1.00 0.00 C ATOM 0 H ALA A 8 -10.853 -3.045 13.570 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.665 -5.499 14.128 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.608 -5.132 11.892 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.269 -4.493 11.894 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.888 -3.381 12.046 1.00 0.00 H new ATOM 49 N VAL A 9 -7.565 -3.096 14.702 1.00 0.00 N ATOM 50 CA VAL A 9 -6.223 -2.841 15.292 1.00 0.00 C ATOM 51 C VAL A 9 -6.353 -2.640 16.801 1.00 0.00 C ATOM 52 O VAL A 9 -7.331 -2.106 17.285 1.00 0.00 O ATOM 53 CB VAL A 9 -5.722 -1.564 14.618 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.517 -1.020 15.389 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.306 -1.876 13.177 1.00 0.00 C ATOM 0 H VAL A 9 -8.138 -2.266 14.547 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.535 -3.672 15.135 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.518 -0.819 14.614 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.159 -0.109 14.909 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.811 -0.798 16.415 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.721 -1.765 15.393 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.949 -0.965 12.696 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.510 -2.621 13.181 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.163 -2.264 12.627 1.00 0.00 H new ATOM 65 N LYS A 10 -5.377 -3.065 17.550 1.00 0.00 N ATOM 66 CA LYS A 10 -5.445 -2.900 19.028 1.00 0.00 C ATOM 67 C LYS A 10 -4.274 -2.039 19.505 1.00 0.00 C ATOM 68 O LYS A 10 -3.446 -1.633 18.716 1.00 0.00 O ATOM 69 CB LYS A 10 -5.345 -4.323 19.581 1.00 0.00 C ATOM 70 CG LYS A 10 -6.735 -4.790 20.021 1.00 0.00 C ATOM 71 CD LYS A 10 -6.625 -5.564 21.335 1.00 0.00 C ATOM 72 CE LYS A 10 -5.704 -6.771 21.143 1.00 0.00 C ATOM 73 NZ LYS A 10 -5.182 -7.082 22.504 1.00 0.00 N ATOM 0 H LYS A 10 -4.533 -3.521 17.203 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.356 -2.403 19.360 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.946 -4.994 18.821 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.655 -4.351 20.424 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.395 -3.932 20.147 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.178 -5.422 19.251 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.233 -4.916 22.119 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.612 -5.895 21.658 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.247 -7.619 20.726 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.892 -6.542 20.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.150 -7.205 22.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.410 -6.300 23.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.621 -7.958 22.852 1.00 0.00 H new ATOM 87 N PRO A 11 -4.243 -1.787 20.785 1.00 0.00 N ATOM 88 CA PRO A 11 -3.154 -0.962 21.365 1.00 0.00 C ATOM 89 C PRO A 11 -1.811 -1.676 21.213 1.00 0.00 C ATOM 90 O PRO A 11 -0.794 -1.057 20.970 1.00 0.00 O ATOM 91 CB PRO A 11 -3.558 -0.816 22.830 1.00 0.00 C ATOM 92 CG PRO A 11 -4.449 -1.985 23.094 1.00 0.00 C ATOM 93 CD PRO A 11 -5.191 -2.240 21.810 1.00 0.00 C ATOM 0 HA PRO A 11 -3.029 0.004 20.876 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.686 -0.826 23.484 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.077 0.126 23.006 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.869 -2.859 23.389 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.141 -1.772 23.909 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.441 -3.294 21.691 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.127 -1.684 21.768 1.00 0.00 H new ATOM 101 N GLU A 12 -1.798 -2.973 21.339 1.00 0.00 N ATOM 102 CA GLU A 12 -0.515 -3.714 21.181 1.00 0.00 C ATOM 103 C GLU A 12 -0.024 -3.574 19.740 1.00 0.00 C ATOM 104 O GLU A 12 1.159 -3.462 19.484 1.00 0.00 O ATOM 105 CB GLU A 12 -0.846 -5.171 21.507 1.00 0.00 C ATOM 106 CG GLU A 12 -1.675 -5.775 20.373 1.00 0.00 C ATOM 107 CD GLU A 12 -1.913 -7.259 20.654 1.00 0.00 C ATOM 108 OE1 GLU A 12 -2.079 -7.603 21.812 1.00 0.00 O ATOM 109 OE2 GLU A 12 -1.924 -8.027 19.705 1.00 0.00 O ATOM 0 H GLU A 12 -2.614 -3.550 21.543 1.00 0.00 H new ATOM 0 HA GLU A 12 0.274 -3.335 21.831 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.073 -5.741 21.643 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.398 -5.228 22.445 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.628 -5.253 20.286 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.156 -5.652 19.423 1.00 0.00 H new ATOM 116 N ASP A 13 -0.929 -3.551 18.801 1.00 0.00 N ATOM 117 CA ASP A 13 -0.520 -3.384 17.379 1.00 0.00 C ATOM 118 C ASP A 13 -0.299 -1.900 17.112 1.00 0.00 C ATOM 119 O ASP A 13 0.572 -1.510 16.363 1.00 0.00 O ATOM 120 CB ASP A 13 -1.692 -3.915 16.552 1.00 0.00 C ATOM 121 CG ASP A 13 -1.702 -5.445 16.594 1.00 0.00 C ATOM 122 OD1 ASP A 13 -0.695 -6.013 16.982 1.00 0.00 O ATOM 123 OD2 ASP A 13 -2.716 -6.022 16.234 1.00 0.00 O ATOM 0 H ASP A 13 -1.933 -3.641 18.957 1.00 0.00 H new ATOM 0 HA ASP A 13 0.401 -3.913 17.133 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.632 -3.525 16.943 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.608 -3.570 15.521 1.00 0.00 H new ATOM 128 N LYS A 14 -1.076 -1.066 17.745 1.00 0.00 N ATOM 129 CA LYS A 14 -0.899 0.396 17.556 1.00 0.00 C ATOM 130 C LYS A 14 0.398 0.825 18.239 1.00 0.00 C ATOM 131 O LYS A 14 0.974 1.847 17.928 1.00 0.00 O ATOM 132 CB LYS A 14 -2.112 1.041 18.232 1.00 0.00 C ATOM 133 CG LYS A 14 -1.805 2.507 18.552 1.00 0.00 C ATOM 134 CD LYS A 14 -1.432 3.245 17.264 1.00 0.00 C ATOM 135 CE LYS A 14 -2.707 3.676 16.536 1.00 0.00 C ATOM 136 NZ LYS A 14 -3.270 4.786 17.357 1.00 0.00 N ATOM 0 H LYS A 14 -1.824 -1.335 18.384 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.835 0.688 16.508 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.982 0.976 17.579 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.359 0.503 19.147 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.672 2.978 19.015 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.987 2.570 19.269 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.820 4.117 17.496 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.834 2.598 16.622 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.488 4.009 15.521 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.413 2.849 16.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.975 5.308 16.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.723 4.394 18.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.505 5.432 17.639 1.00 0.00 H new ATOM 150 N ALA A 15 0.869 0.030 19.162 1.00 0.00 N ATOM 151 CA ALA A 15 2.139 0.371 19.858 1.00 0.00 C ATOM 152 C ALA A 15 3.291 0.234 18.869 1.00 0.00 C ATOM 153 O ALA A 15 4.193 1.048 18.829 1.00 0.00 O ATOM 154 CB ALA A 15 2.272 -0.649 20.989 1.00 0.00 C ATOM 0 H ALA A 15 0.428 -0.839 19.463 1.00 0.00 H new ATOM 0 HA ALA A 15 2.150 1.389 20.247 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.189 -0.457 21.546 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.416 -0.564 21.659 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.306 -1.655 20.570 1.00 0.00 H new ATOM 160 N LYS A 16 3.249 -0.778 18.046 1.00 0.00 N ATOM 161 CA LYS A 16 4.320 -0.949 17.036 1.00 0.00 C ATOM 162 C LYS A 16 4.028 -0.003 15.869 1.00 0.00 C ATOM 163 O LYS A 16 4.916 0.426 15.158 1.00 0.00 O ATOM 164 CB LYS A 16 4.250 -2.429 16.635 1.00 0.00 C ATOM 165 CG LYS A 16 3.311 -2.612 15.450 1.00 0.00 C ATOM 166 CD LYS A 16 2.863 -4.075 15.362 1.00 0.00 C ATOM 167 CE LYS A 16 4.075 -5.004 15.492 1.00 0.00 C ATOM 168 NZ LYS A 16 4.747 -4.958 14.163 1.00 0.00 N ATOM 0 H LYS A 16 2.519 -1.490 18.033 1.00 0.00 H new ATOM 0 HA LYS A 16 5.321 -0.708 17.393 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.246 -2.791 16.378 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.902 -3.025 17.479 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.443 -1.962 15.559 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.814 -2.320 14.528 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.143 -4.291 16.151 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.359 -4.253 14.412 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.745 -4.669 16.284 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.768 -6.019 15.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.924 -5.927 13.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.136 -4.464 13.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.651 -4.451 14.248 1.00 0.00 H new ATOM 182 N TYR A 17 2.779 0.352 15.698 1.00 0.00 N ATOM 183 CA TYR A 17 2.412 1.303 14.612 1.00 0.00 C ATOM 184 C TYR A 17 2.901 2.693 15.005 1.00 0.00 C ATOM 185 O TYR A 17 3.326 3.476 14.180 1.00 0.00 O ATOM 186 CB TYR A 17 0.878 1.298 14.559 1.00 0.00 C ATOM 187 CG TYR A 17 0.357 -0.063 14.151 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.244 -1.101 13.850 1.00 0.00 C ATOM 189 CD2 TYR A 17 -1.026 -0.281 14.075 1.00 0.00 C ATOM 190 CE1 TYR A 17 0.751 -2.355 13.475 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.519 -1.536 13.696 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.629 -2.573 13.398 1.00 0.00 C ATOM 193 OH TYR A 17 -1.111 -3.812 13.027 1.00 0.00 O ATOM 0 H TYR A 17 1.999 0.022 16.266 1.00 0.00 H new ATOM 0 HA TYR A 17 2.848 1.031 13.651 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.475 1.568 15.535 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.532 2.052 13.852 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.310 -0.935 13.907 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.712 0.520 14.309 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.437 -3.157 13.244 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.584 -1.703 13.634 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.799 -4.489 13.663 1.00 0.00 H new ATOM 203 N ASP A 18 2.835 2.993 16.274 1.00 0.00 N ATOM 204 CA ASP A 18 3.281 4.327 16.768 1.00 0.00 C ATOM 205 C ASP A 18 4.807 4.413 16.770 1.00 0.00 C ATOM 206 O ASP A 18 5.378 5.467 16.963 1.00 0.00 O ATOM 207 CB ASP A 18 2.742 4.406 18.195 1.00 0.00 C ATOM 208 CG ASP A 18 3.238 5.692 18.859 1.00 0.00 C ATOM 209 OD1 ASP A 18 3.677 6.575 18.142 1.00 0.00 O ATOM 210 OD2 ASP A 18 3.171 5.770 20.076 1.00 0.00 O ATOM 0 H ASP A 18 2.487 2.363 16.997 1.00 0.00 H new ATOM 0 HA ASP A 18 2.922 5.143 16.141 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.652 4.387 18.185 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.071 3.539 18.768 1.00 0.00 H new ATOM 215 N ALA A 19 5.474 3.319 16.532 1.00 0.00 N ATOM 216 CA ALA A 19 6.961 3.354 16.497 1.00 0.00 C ATOM 217 C ALA A 19 7.378 3.522 15.049 1.00 0.00 C ATOM 218 O ALA A 19 8.257 4.291 14.713 1.00 0.00 O ATOM 219 CB ALA A 19 7.418 2.003 17.038 1.00 0.00 C ATOM 0 H ALA A 19 5.055 2.405 16.361 1.00 0.00 H new ATOM 0 HA ALA A 19 7.393 4.165 17.083 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.507 1.961 17.040 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.048 1.875 18.055 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.025 1.206 16.406 1.00 0.00 H new ATOM 225 N ILE A 20 6.702 2.826 14.183 1.00 0.00 N ATOM 226 CA ILE A 20 6.983 2.946 12.744 1.00 0.00 C ATOM 227 C ILE A 20 6.452 4.298 12.293 1.00 0.00 C ATOM 228 O ILE A 20 6.967 4.922 11.388 1.00 0.00 O ATOM 229 CB ILE A 20 6.185 1.806 12.121 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.842 0.467 12.460 1.00 0.00 C ATOM 231 CG2 ILE A 20 6.142 1.984 10.614 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.767 -0.619 12.557 1.00 0.00 C ATOM 0 H ILE A 20 5.957 2.172 14.423 1.00 0.00 H new ATOM 0 HA ILE A 20 8.037 2.887 12.473 1.00 0.00 H new ATOM 0 HB ILE A 20 5.170 1.817 12.519 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.572 0.204 11.694 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.383 0.544 13.403 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.572 1.169 10.168 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.666 2.935 10.373 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.157 1.976 10.218 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.235 -1.573 12.799 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.054 -0.356 13.338 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.246 -0.701 11.603 1.00 0.00 H new ATOM 244 N PHE A 21 5.426 4.758 12.953 1.00 0.00 N ATOM 245 CA PHE A 21 4.842 6.077 12.617 1.00 0.00 C ATOM 246 C PHE A 21 5.820 7.169 13.054 1.00 0.00 C ATOM 247 O PHE A 21 6.023 8.155 12.373 1.00 0.00 O ATOM 248 CB PHE A 21 3.535 6.133 13.423 1.00 0.00 C ATOM 249 CG PHE A 21 3.224 7.553 13.835 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.926 8.141 14.893 1.00 0.00 C ATOM 251 CD2 PHE A 21 2.234 8.277 13.161 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.638 9.454 15.279 1.00 0.00 C ATOM 253 CE2 PHE A 21 1.946 9.591 13.547 1.00 0.00 C ATOM 254 CZ PHE A 21 2.649 10.179 14.606 1.00 0.00 C ATOM 0 H PHE A 21 4.965 4.267 13.719 1.00 0.00 H new ATOM 0 HA PHE A 21 4.654 6.221 11.553 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.715 5.734 12.825 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.620 5.502 14.308 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.690 7.581 15.411 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.693 7.822 12.344 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.179 9.908 16.096 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.182 10.151 13.029 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.427 11.193 14.903 1.00 0.00 H new ATOM 264 N ASP A 22 6.433 6.986 14.190 1.00 0.00 N ATOM 265 CA ASP A 22 7.406 7.996 14.684 1.00 0.00 C ATOM 266 C ASP A 22 8.803 7.679 14.143 1.00 0.00 C ATOM 267 O ASP A 22 9.764 8.360 14.441 1.00 0.00 O ATOM 268 CB ASP A 22 7.366 7.877 16.207 1.00 0.00 C ATOM 269 CG ASP A 22 8.503 8.703 16.813 1.00 0.00 C ATOM 270 OD1 ASP A 22 8.471 9.914 16.669 1.00 0.00 O ATOM 271 OD2 ASP A 22 9.387 8.110 17.410 1.00 0.00 O ATOM 0 H ASP A 22 6.301 6.178 14.798 1.00 0.00 H new ATOM 0 HA ASP A 22 7.163 9.007 14.358 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.406 8.228 16.585 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.463 6.833 16.504 1.00 0.00 H new ATOM 276 N SER A 23 8.917 6.666 13.325 1.00 0.00 N ATOM 277 CA SER A 23 10.245 6.327 12.738 1.00 0.00 C ATOM 278 C SER A 23 10.398 7.072 11.410 1.00 0.00 C ATOM 279 O SER A 23 11.433 7.042 10.774 1.00 0.00 O ATOM 280 CB SER A 23 10.212 4.814 12.511 1.00 0.00 C ATOM 281 OG SER A 23 10.570 4.150 13.716 1.00 0.00 O ATOM 0 H SER A 23 8.148 6.060 13.039 1.00 0.00 H new ATOM 0 HA SER A 23 11.081 6.609 13.378 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.216 4.504 12.193 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.901 4.539 11.712 1.00 0.00 H new ATOM 0 HG SER A 23 9.886 4.318 14.398 1.00 0.00 H new ATOM 287 N LEU A 24 9.358 7.748 11.000 1.00 0.00 N ATOM 288 CA LEU A 24 9.391 8.518 9.726 1.00 0.00 C ATOM 289 C LEU A 24 9.362 10.011 10.046 1.00 0.00 C ATOM 290 O LEU A 24 9.463 10.849 9.172 1.00 0.00 O ATOM 291 CB LEU A 24 8.109 8.135 8.966 1.00 0.00 C ATOM 292 CG LEU A 24 7.616 6.745 9.376 1.00 0.00 C ATOM 293 CD1 LEU A 24 6.220 6.501 8.794 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.582 5.690 8.838 1.00 0.00 C ATOM 0 H LEU A 24 8.473 7.799 11.504 1.00 0.00 H new ATOM 0 HA LEU A 24 10.285 8.302 9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.331 8.873 9.165 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.300 8.154 7.893 1.00 0.00 H new ATOM 0 HG LEU A 24 7.569 6.681 10.463 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.871 5.511 9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.531 7.255 9.173 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.263 6.563 7.707 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.235 4.698 9.127 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.625 5.757 7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.576 5.862 9.252 1.00 0.00 H new ATOM 306 N SER A 25 9.193 10.336 11.304 1.00 0.00 N ATOM 307 CA SER A 25 9.120 11.765 11.739 1.00 0.00 C ATOM 308 C SER A 25 7.713 12.299 11.484 1.00 0.00 C ATOM 309 O SER A 25 7.382 12.706 10.389 1.00 0.00 O ATOM 310 CB SER A 25 10.149 12.528 10.914 1.00 0.00 C ATOM 311 OG SER A 25 10.685 13.588 11.695 1.00 0.00 O ATOM 0 H SER A 25 9.101 9.659 12.061 1.00 0.00 H new ATOM 0 HA SER A 25 9.330 11.877 12.803 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.946 11.857 10.595 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.686 12.925 10.011 1.00 0.00 H new ATOM 0 HG SER A 25 11.349 14.080 11.168 1.00 0.00 H new ATOM 317 N PRO A 26 6.933 12.256 12.522 1.00 0.00 N ATOM 318 CA PRO A 26 5.526 12.714 12.453 1.00 0.00 C ATOM 319 C PRO A 26 5.458 14.235 12.370 1.00 0.00 C ATOM 320 O PRO A 26 6.277 14.942 12.923 1.00 0.00 O ATOM 321 CB PRO A 26 4.930 12.225 13.767 1.00 0.00 C ATOM 322 CG PRO A 26 6.094 12.110 14.696 1.00 0.00 C ATOM 323 CD PRO A 26 7.296 11.778 13.854 1.00 0.00 C ATOM 0 HA PRO A 26 4.999 12.337 11.577 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.187 12.925 14.149 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.429 11.265 13.641 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.249 13.043 15.238 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.918 11.334 15.441 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.193 12.273 14.226 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.500 10.707 13.853 1.00 0.00 H new ATOM 331 N VAL A 27 4.472 14.735 11.689 1.00 0.00 N ATOM 332 CA VAL A 27 4.315 16.212 11.566 1.00 0.00 C ATOM 333 C VAL A 27 2.991 16.637 12.205 1.00 0.00 C ATOM 334 O VAL A 27 1.931 16.437 11.647 1.00 0.00 O ATOM 335 CB VAL A 27 4.305 16.488 10.061 1.00 0.00 C ATOM 336 CG1 VAL A 27 4.281 17.997 9.820 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.563 15.891 9.425 1.00 0.00 C ATOM 0 H VAL A 27 3.761 14.184 11.208 1.00 0.00 H new ATOM 0 HA VAL A 27 5.110 16.765 12.067 1.00 0.00 H new ATOM 0 HB VAL A 27 3.420 16.034 9.614 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.274 18.194 8.748 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.386 18.424 10.273 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.166 18.451 10.267 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.557 16.087 8.353 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.447 16.345 9.872 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.582 14.815 9.597 1.00 0.00 H new ATOM 347 N ASN A 28 3.040 17.201 13.381 1.00 0.00 N ATOM 348 CA ASN A 28 1.779 17.614 14.060 1.00 0.00 C ATOM 349 C ASN A 28 0.918 16.376 14.320 1.00 0.00 C ATOM 350 O ASN A 28 -0.282 16.461 14.488 1.00 0.00 O ATOM 351 CB ASN A 28 1.087 18.564 13.079 1.00 0.00 C ATOM 352 CG ASN A 28 -0.043 19.309 13.793 1.00 0.00 C ATOM 353 OD1 ASN A 28 0.084 20.476 14.108 1.00 0.00 O ATOM 354 ND2 ASN A 28 -1.155 18.681 14.058 1.00 0.00 N ATOM 0 H ASN A 28 3.897 17.393 13.900 1.00 0.00 H new ATOM 0 HA ASN A 28 1.954 18.097 15.021 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.808 19.276 12.677 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.688 18.003 12.234 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.917 19.169 14.529 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.263 17.702 13.794 1.00 0.00 H new ATOM 361 N GLY A 29 1.532 15.222 14.350 1.00 0.00 N ATOM 362 CA GLY A 29 0.765 13.966 14.592 1.00 0.00 C ATOM 363 C GLY A 29 0.332 13.373 13.251 1.00 0.00 C ATOM 364 O GLY A 29 -0.731 12.797 13.127 1.00 0.00 O ATOM 0 H GLY A 29 2.535 15.096 14.217 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.380 13.250 15.138 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.108 14.173 15.210 1.00 0.00 H new ATOM 368 N PHE A 30 1.147 13.517 12.242 1.00 0.00 N ATOM 369 CA PHE A 30 0.780 12.972 10.904 1.00 0.00 C ATOM 370 C PHE A 30 2.022 12.581 10.110 1.00 0.00 C ATOM 371 O PHE A 30 3.117 13.036 10.376 1.00 0.00 O ATOM 372 CB PHE A 30 0.056 14.114 10.206 1.00 0.00 C ATOM 373 CG PHE A 30 -1.237 14.383 10.923 1.00 0.00 C ATOM 374 CD1 PHE A 30 -2.356 13.598 10.645 1.00 0.00 C ATOM 375 CD2 PHE A 30 -1.313 15.413 11.865 1.00 0.00 C ATOM 376 CE1 PHE A 30 -3.563 13.843 11.313 1.00 0.00 C ATOM 377 CE2 PHE A 30 -2.516 15.660 12.534 1.00 0.00 C ATOM 378 CZ PHE A 30 -3.642 14.875 12.257 1.00 0.00 C ATOM 0 H PHE A 30 2.051 13.988 12.286 1.00 0.00 H new ATOM 0 HA PHE A 30 0.169 12.074 10.989 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.678 15.009 10.203 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.137 13.857 9.165 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.292 12.803 9.917 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.443 16.018 12.076 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.431 13.237 11.100 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.576 16.455 13.263 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.572 15.065 12.772 1.00 0.00 H new ATOM 388 N LEU A 31 1.851 11.754 9.118 1.00 0.00 N ATOM 389 CA LEU A 31 3.013 11.347 8.281 1.00 0.00 C ATOM 390 C LEU A 31 2.698 11.604 6.813 1.00 0.00 C ATOM 391 O LEU A 31 1.640 11.261 6.324 1.00 0.00 O ATOM 392 CB LEU A 31 3.214 9.854 8.524 1.00 0.00 C ATOM 393 CG LEU A 31 3.857 9.641 9.891 1.00 0.00 C ATOM 394 CD1 LEU A 31 3.692 8.177 10.308 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.347 9.986 9.804 1.00 0.00 C ATOM 0 H LEU A 31 0.957 11.342 8.850 1.00 0.00 H new ATOM 0 HA LEU A 31 3.911 11.910 8.535 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.257 9.335 8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.846 9.430 7.743 1.00 0.00 H new ATOM 0 HG LEU A 31 3.376 10.283 10.629 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.151 8.023 11.285 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.631 7.932 10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.176 7.533 9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.813 9.836 10.778 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.828 9.341 9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.462 11.027 9.503 1.00 0.00 H new ATOM 407 N SER A 32 3.604 12.208 6.107 1.00 0.00 N ATOM 408 CA SER A 32 3.350 12.492 4.669 1.00 0.00 C ATOM 409 C SER A 32 3.608 11.252 3.829 1.00 0.00 C ATOM 410 O SER A 32 4.561 10.530 4.039 1.00 0.00 O ATOM 411 CB SER A 32 4.326 13.604 4.292 1.00 0.00 C ATOM 412 OG SER A 32 4.861 14.189 5.473 1.00 0.00 O ATOM 0 H SER A 32 4.509 12.518 6.460 1.00 0.00 H new ATOM 0 HA SER A 32 2.315 12.786 4.493 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.131 13.202 3.676 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.817 14.362 3.697 1.00 0.00 H new ATOM 0 HG SER A 32 5.292 15.040 5.250 1.00 0.00 H new ATOM 418 N GLY A 33 2.762 11.009 2.869 1.00 0.00 N ATOM 419 CA GLY A 33 2.952 9.817 1.991 1.00 0.00 C ATOM 420 C GLY A 33 4.442 9.655 1.661 1.00 0.00 C ATOM 421 O GLY A 33 4.908 8.570 1.374 1.00 0.00 O ATOM 0 H GLY A 33 1.947 11.582 2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.580 8.922 2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.376 9.933 1.073 1.00 0.00 H new ATOM 425 N ASP A 34 5.191 10.728 1.697 1.00 0.00 N ATOM 426 CA ASP A 34 6.648 10.639 1.385 1.00 0.00 C ATOM 427 C ASP A 34 7.378 9.769 2.416 1.00 0.00 C ATOM 428 O ASP A 34 8.477 9.311 2.181 1.00 0.00 O ATOM 429 CB ASP A 34 7.155 12.078 1.458 1.00 0.00 C ATOM 430 CG ASP A 34 6.654 12.863 0.244 1.00 0.00 C ATOM 431 OD1 ASP A 34 7.315 12.815 -0.781 1.00 0.00 O ATOM 432 OD2 ASP A 34 5.619 13.498 0.359 1.00 0.00 O ATOM 0 H ASP A 34 4.855 11.663 1.929 1.00 0.00 H new ATOM 0 HA ASP A 34 6.824 10.183 0.411 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.808 12.550 2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.245 12.089 1.486 1.00 0.00 H new ATOM 437 N LYS A 35 6.784 9.539 3.558 1.00 0.00 N ATOM 438 CA LYS A 35 7.464 8.698 4.592 1.00 0.00 C ATOM 439 C LYS A 35 6.722 7.380 4.759 1.00 0.00 C ATOM 440 O LYS A 35 7.314 6.341 4.972 1.00 0.00 O ATOM 441 CB LYS A 35 7.443 9.484 5.919 1.00 0.00 C ATOM 442 CG LYS A 35 6.519 10.703 5.836 1.00 0.00 C ATOM 443 CD LYS A 35 6.820 11.651 6.998 1.00 0.00 C ATOM 444 CE LYS A 35 7.401 12.950 6.444 1.00 0.00 C ATOM 445 NZ LYS A 35 6.739 14.033 7.225 1.00 0.00 N ATOM 0 H LYS A 35 5.864 9.893 3.820 1.00 0.00 H new ATOM 0 HA LYS A 35 8.489 8.478 4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.112 8.830 6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.454 9.809 6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.663 11.218 4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.477 10.386 5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.910 11.856 7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.525 11.188 7.688 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.484 12.981 6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.197 13.051 5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.360 14.867 7.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.839 14.289 6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.555 13.700 8.193 1.00 0.00 H new ATOM 459 N VAL A 36 5.428 7.412 4.665 1.00 0.00 N ATOM 460 CA VAL A 36 4.651 6.156 4.816 1.00 0.00 C ATOM 461 C VAL A 36 4.704 5.352 3.521 1.00 0.00 C ATOM 462 O VAL A 36 5.073 4.197 3.511 1.00 0.00 O ATOM 463 CB VAL A 36 3.221 6.593 5.097 1.00 0.00 C ATOM 464 CG1 VAL A 36 2.341 5.353 5.244 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.188 7.420 6.384 1.00 0.00 C ATOM 0 H VAL A 36 4.874 8.251 4.491 1.00 0.00 H new ATOM 0 HA VAL A 36 5.048 5.526 5.612 1.00 0.00 H new ATOM 0 HB VAL A 36 2.847 7.203 4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.314 5.658 5.446 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.373 4.773 4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.707 4.743 6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.165 7.735 6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.554 6.816 7.214 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.822 8.299 6.268 1.00 0.00 H new ATOM 475 N LYS A 37 4.338 5.962 2.427 1.00 0.00 N ATOM 476 CA LYS A 37 4.360 5.240 1.125 1.00 0.00 C ATOM 477 C LYS A 37 5.611 4.358 1.022 1.00 0.00 C ATOM 478 O LYS A 37 5.506 3.187 0.715 1.00 0.00 O ATOM 479 CB LYS A 37 4.367 6.335 0.056 1.00 0.00 C ATOM 480 CG LYS A 37 3.906 5.751 -1.280 1.00 0.00 C ATOM 481 CD LYS A 37 4.877 6.181 -2.378 1.00 0.00 C ATOM 482 CE LYS A 37 4.109 6.893 -3.492 1.00 0.00 C ATOM 483 NZ LYS A 37 4.910 8.111 -3.792 1.00 0.00 N ATOM 0 H LYS A 37 4.024 6.931 2.379 1.00 0.00 H new ATOM 0 HA LYS A 37 3.504 4.575 1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.709 7.152 0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.369 6.753 -0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.865 4.663 -1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.899 6.096 -1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.638 6.844 -1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.396 5.311 -2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.011 6.258 -4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.100 7.153 -3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.447 8.654 -4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.981 8.699 -2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.863 7.832 -4.100 1.00 0.00 H new ATOM 497 N PRO A 38 6.759 4.932 1.299 1.00 0.00 N ATOM 498 CA PRO A 38 8.017 4.146 1.248 1.00 0.00 C ATOM 499 C PRO A 38 8.021 3.121 2.379 1.00 0.00 C ATOM 500 O PRO A 38 8.558 2.039 2.259 1.00 0.00 O ATOM 501 CB PRO A 38 9.107 5.195 1.447 1.00 0.00 C ATOM 502 CG PRO A 38 8.429 6.316 2.166 1.00 0.00 C ATOM 503 CD PRO A 38 7.006 6.331 1.683 1.00 0.00 C ATOM 0 HA PRO A 38 8.151 3.588 0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.938 4.797 2.029 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.516 5.527 0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.471 6.167 3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.921 7.266 1.956 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.320 6.660 2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.876 7.008 0.839 1.00 0.00 H new ATOM 511 N VAL A 39 7.409 3.459 3.474 1.00 0.00 N ATOM 512 CA VAL A 39 7.344 2.523 4.628 1.00 0.00 C ATOM 513 C VAL A 39 6.474 1.317 4.262 1.00 0.00 C ATOM 514 O VAL A 39 6.708 0.214 4.713 1.00 0.00 O ATOM 515 CB VAL A 39 6.727 3.355 5.757 1.00 0.00 C ATOM 516 CG1 VAL A 39 5.929 2.463 6.706 1.00 0.00 C ATOM 517 CG2 VAL A 39 7.843 4.053 6.537 1.00 0.00 C ATOM 0 H VAL A 39 6.945 4.355 3.622 1.00 0.00 H new ATOM 0 HA VAL A 39 8.314 2.120 4.919 1.00 0.00 H new ATOM 0 HB VAL A 39 6.055 4.095 5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.498 3.071 7.501 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.130 1.968 6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.589 1.712 7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.408 4.646 7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.514 3.305 6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.402 4.705 5.867 1.00 0.00 H new ATOM 527 N LEU A 40 5.485 1.509 3.431 1.00 0.00 N ATOM 528 CA LEU A 40 4.634 0.355 3.029 1.00 0.00 C ATOM 529 C LEU A 40 5.378 -0.454 1.968 1.00 0.00 C ATOM 530 O LEU A 40 5.048 -1.590 1.688 1.00 0.00 O ATOM 531 CB LEU A 40 3.351 0.955 2.450 1.00 0.00 C ATOM 532 CG LEU A 40 2.843 2.070 3.361 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.423 2.458 2.950 1.00 0.00 C ATOM 534 CD2 LEU A 40 2.844 1.583 4.812 1.00 0.00 C ATOM 0 H LEU A 40 5.232 2.406 3.017 1.00 0.00 H new ATOM 0 HA LEU A 40 4.405 -0.308 3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.541 1.348 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.590 0.181 2.349 1.00 0.00 H new ATOM 0 HG LEU A 40 3.495 2.939 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.061 3.254 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.426 2.806 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.769 1.591 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.481 2.379 5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.193 0.714 4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.858 1.310 5.103 1.00 0.00 H new ATOM 546 N LEU A 41 6.397 0.123 1.386 1.00 0.00 N ATOM 547 CA LEU A 41 7.181 -0.610 0.359 1.00 0.00 C ATOM 548 C LEU A 41 8.073 -1.632 1.055 1.00 0.00 C ATOM 549 O LEU A 41 8.470 -2.627 0.481 1.00 0.00 O ATOM 550 CB LEU A 41 8.029 0.451 -0.342 1.00 0.00 C ATOM 551 CG LEU A 41 7.222 1.100 -1.467 1.00 0.00 C ATOM 552 CD1 LEU A 41 7.901 2.406 -1.893 1.00 0.00 C ATOM 553 CD2 LEU A 41 7.159 0.148 -2.663 1.00 0.00 C ATOM 0 H LEU A 41 6.717 1.072 1.581 1.00 0.00 H new ATOM 0 HA LEU A 41 6.550 -1.143 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.345 1.209 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.934 -0.003 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 41 6.212 1.311 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.327 2.870 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.950 3.085 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.910 2.193 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.584 0.610 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.169 -0.062 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.679 -0.783 -2.362 1.00 0.00 H new ATOM 565 N ASN A 42 8.388 -1.391 2.300 1.00 0.00 N ATOM 566 CA ASN A 42 9.251 -2.351 3.041 1.00 0.00 C ATOM 567 C ASN A 42 8.509 -3.672 3.244 1.00 0.00 C ATOM 568 O ASN A 42 9.107 -4.698 3.507 1.00 0.00 O ATOM 569 CB ASN A 42 9.530 -1.682 4.387 1.00 0.00 C ATOM 570 CG ASN A 42 10.322 -0.396 4.162 1.00 0.00 C ATOM 571 OD1 ASN A 42 9.680 0.713 3.935 1.00 0.00 O flip ATOM 572 ND2 ASN A 42 11.536 -0.402 4.196 1.00 0.00 N flip ATOM 0 H ASN A 42 8.086 -0.575 2.832 1.00 0.00 H new ATOM 0 HA ASN A 42 10.172 -2.579 2.504 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.592 -1.460 4.896 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.090 -2.359 5.032 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.037 -1.272 4.374 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.055 0.463 4.046 1.00 0.00 H new ATOM 579 N SER A 43 7.210 -3.657 3.124 1.00 0.00 N ATOM 580 CA SER A 43 6.428 -4.911 3.310 1.00 0.00 C ATOM 581 C SER A 43 6.605 -5.831 2.098 1.00 0.00 C ATOM 582 O SER A 43 6.053 -6.911 2.041 1.00 0.00 O ATOM 583 CB SER A 43 4.976 -4.460 3.433 1.00 0.00 C ATOM 584 OG SER A 43 4.147 -5.329 2.673 1.00 0.00 O ATOM 0 H SER A 43 6.656 -2.829 2.905 1.00 0.00 H new ATOM 0 HA SER A 43 6.754 -5.473 4.185 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.668 -4.468 4.479 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.870 -3.435 3.077 1.00 0.00 H new ATOM 0 HG SER A 43 4.580 -6.204 2.589 1.00 0.00 H new ATOM 590 N LYS A 44 7.372 -5.414 1.129 1.00 0.00 N ATOM 591 CA LYS A 44 7.587 -6.270 -0.077 1.00 0.00 C ATOM 592 C LYS A 44 6.304 -6.360 -0.909 1.00 0.00 C ATOM 593 O LYS A 44 6.240 -7.071 -1.892 1.00 0.00 O ATOM 594 CB LYS A 44 7.963 -7.647 0.474 1.00 0.00 C ATOM 595 CG LYS A 44 9.266 -8.122 -0.173 1.00 0.00 C ATOM 596 CD LYS A 44 8.946 -9.109 -1.298 1.00 0.00 C ATOM 597 CE LYS A 44 10.245 -9.546 -1.979 1.00 0.00 C ATOM 598 NZ LYS A 44 10.910 -8.276 -2.378 1.00 0.00 N ATOM 0 H LYS A 44 7.860 -4.518 1.118 1.00 0.00 H new ATOM 0 HA LYS A 44 8.359 -5.865 -0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.080 -7.597 1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.164 -8.361 0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.820 -7.270 -0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.903 -8.598 0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.423 -9.977 -0.897 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.280 -8.644 -2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.872 -10.125 -1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.045 -10.177 -2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.506 -8.444 -3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.188 -7.563 -2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.502 -7.933 -1.595 1.00 0.00 H new ATOM 612 N LEU A 45 5.280 -5.645 -0.526 1.00 0.00 N ATOM 613 CA LEU A 45 4.005 -5.694 -1.301 1.00 0.00 C ATOM 614 C LEU A 45 4.111 -4.817 -2.549 1.00 0.00 C ATOM 615 O LEU A 45 4.949 -3.939 -2.622 1.00 0.00 O ATOM 616 CB LEU A 45 2.936 -5.145 -0.358 1.00 0.00 C ATOM 617 CG LEU A 45 2.419 -6.267 0.544 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.363 -5.705 1.499 1.00 0.00 C ATOM 619 CD2 LEU A 45 1.791 -7.373 -0.313 1.00 0.00 C ATOM 0 H LEU A 45 5.271 -5.030 0.288 1.00 0.00 H new ATOM 0 HA LEU A 45 3.771 -6.704 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.351 -4.340 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.114 -4.720 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 45 3.249 -6.681 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.993 -6.503 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.807 -4.921 2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.536 -5.290 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.424 -8.170 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.961 -6.961 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.541 -7.775 -0.995 1.00 0.00 H new ATOM 631 N PRO A 46 3.248 -5.081 -3.488 1.00 0.00 N ATOM 632 CA PRO A 46 3.236 -4.304 -4.743 1.00 0.00 C ATOM 633 C PRO A 46 2.660 -2.903 -4.496 1.00 0.00 C ATOM 634 O PRO A 46 2.005 -2.654 -3.503 1.00 0.00 O ATOM 635 CB PRO A 46 2.349 -5.132 -5.669 1.00 0.00 C ATOM 636 CG PRO A 46 1.472 -5.938 -4.766 1.00 0.00 C ATOM 637 CD PRO A 46 2.214 -6.122 -3.467 1.00 0.00 C ATOM 0 HA PRO A 46 4.227 -4.141 -5.166 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.757 -4.491 -6.322 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.947 -5.777 -6.313 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.523 -5.429 -4.598 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.241 -6.903 -5.216 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.550 -6.006 -2.610 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.653 -7.117 -3.397 1.00 0.00 H new ATOM 645 N VAL A 47 2.916 -1.987 -5.389 1.00 0.00 N ATOM 646 CA VAL A 47 2.410 -0.595 -5.217 1.00 0.00 C ATOM 647 C VAL A 47 0.884 -0.577 -5.213 1.00 0.00 C ATOM 648 O VAL A 47 0.268 0.412 -4.868 1.00 0.00 O ATOM 649 CB VAL A 47 2.951 0.174 -6.423 1.00 0.00 C ATOM 650 CG1 VAL A 47 2.183 1.489 -6.580 1.00 0.00 C ATOM 651 CG2 VAL A 47 4.438 0.469 -6.208 1.00 0.00 C ATOM 0 H VAL A 47 3.459 -2.144 -6.238 1.00 0.00 H new ATOM 0 HA VAL A 47 2.731 -0.156 -4.272 1.00 0.00 H new ATOM 0 HB VAL A 47 2.825 -0.425 -7.325 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.570 2.036 -7.440 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.125 1.276 -6.731 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.307 2.092 -5.681 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.828 1.017 -7.066 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.563 1.069 -5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.983 -0.469 -6.099 1.00 0.00 H new ATOM 661 N ASP A 48 0.265 -1.662 -5.575 1.00 0.00 N ATOM 662 CA ASP A 48 -1.216 -1.693 -5.568 1.00 0.00 C ATOM 663 C ASP A 48 -1.679 -1.742 -4.123 1.00 0.00 C ATOM 664 O ASP A 48 -2.621 -1.081 -3.733 1.00 0.00 O ATOM 665 CB ASP A 48 -1.593 -2.964 -6.309 1.00 0.00 C ATOM 666 CG ASP A 48 -1.691 -2.674 -7.808 1.00 0.00 C ATOM 667 OD1 ASP A 48 -0.656 -2.641 -8.455 1.00 0.00 O ATOM 668 OD2 ASP A 48 -2.799 -2.491 -8.286 1.00 0.00 O ATOM 0 H ASP A 48 0.720 -2.524 -5.874 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.674 -0.823 -6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.848 -3.738 -6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.545 -3.344 -5.939 1.00 0.00 H new ATOM 673 N ILE A 49 -0.993 -2.500 -3.315 1.00 0.00 N ATOM 674 CA ILE A 49 -1.364 -2.564 -1.882 1.00 0.00 C ATOM 675 C ILE A 49 -1.153 -1.180 -1.284 1.00 0.00 C ATOM 676 O ILE A 49 -1.981 -0.658 -0.564 1.00 0.00 O ATOM 677 CB ILE A 49 -0.405 -3.565 -1.240 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.403 -4.870 -2.032 1.00 0.00 C ATOM 679 CG2 ILE A 49 -0.850 -3.839 0.194 1.00 0.00 C ATOM 680 CD1 ILE A 49 -1.838 -5.359 -2.227 1.00 0.00 C ATOM 0 H ILE A 49 -0.195 -3.074 -3.587 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.399 -2.867 -1.725 1.00 0.00 H new ATOM 0 HB ILE A 49 0.602 -3.149 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.074 -4.718 -3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.180 -5.625 -1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.168 -4.553 0.656 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.841 -2.909 0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.859 -4.251 0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.831 -6.291 -2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.300 -5.528 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.408 -4.607 -2.773 1.00 0.00 H new ATOM 692 N LEU A 50 -0.042 -0.582 -1.606 1.00 0.00 N ATOM 693 CA LEU A 50 0.254 0.780 -1.098 1.00 0.00 C ATOM 694 C LEU A 50 -0.813 1.748 -1.609 1.00 0.00 C ATOM 695 O LEU A 50 -0.990 2.829 -1.084 1.00 0.00 O ATOM 696 CB LEU A 50 1.630 1.129 -1.678 1.00 0.00 C ATOM 697 CG LEU A 50 2.630 0.013 -1.357 1.00 0.00 C ATOM 698 CD1 LEU A 50 4.053 0.523 -1.584 1.00 0.00 C ATOM 699 CD2 LEU A 50 2.475 -0.413 0.105 1.00 0.00 C ATOM 0 H LEU A 50 0.679 -0.984 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 50 0.254 0.839 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.556 1.263 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.980 2.074 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 50 2.437 -0.840 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.765 -0.270 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.169 0.826 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.241 1.377 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.187 -1.207 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.666 0.441 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.461 -0.777 0.272 1.00 0.00 H new ATOM 711 N GLY A 51 -1.535 1.358 -2.627 1.00 0.00 N ATOM 712 CA GLY A 51 -2.601 2.249 -3.162 1.00 0.00 C ATOM 713 C GLY A 51 -3.898 1.967 -2.405 1.00 0.00 C ATOM 714 O GLY A 51 -4.746 2.825 -2.259 1.00 0.00 O ATOM 0 H GLY A 51 -1.432 0.464 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.314 3.294 -3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.740 2.074 -4.229 1.00 0.00 H new ATOM 718 N ARG A 52 -4.044 0.768 -1.910 1.00 0.00 N ATOM 719 CA ARG A 52 -5.272 0.414 -1.147 1.00 0.00 C ATOM 720 C ARG A 52 -5.002 0.570 0.343 1.00 0.00 C ATOM 721 O ARG A 52 -5.702 1.274 1.042 1.00 0.00 O ATOM 722 CB ARG A 52 -5.538 -1.047 -1.490 1.00 0.00 C ATOM 723 CG ARG A 52 -7.040 -1.271 -1.661 1.00 0.00 C ATOM 724 CD ARG A 52 -7.272 -2.502 -2.538 1.00 0.00 C ATOM 725 NE ARG A 52 -7.544 -1.961 -3.897 1.00 0.00 N ATOM 726 CZ ARG A 52 -7.596 -2.767 -4.920 1.00 0.00 C ATOM 727 NH1 ARG A 52 -6.755 -3.762 -5.011 1.00 0.00 N ATOM 728 NH2 ARG A 52 -8.491 -2.582 -5.852 1.00 0.00 N ATOM 0 H ARG A 52 -3.361 0.016 -2.002 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.122 1.049 -1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.014 -1.317 -2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.152 -1.692 -0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.512 -1.410 -0.688 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.500 -0.394 -2.116 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.399 -3.155 -2.541 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.112 -3.094 -2.173 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.690 -0.960 -4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.057 -3.908 -4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.796 -4.393 -5.812 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.150 -1.807 -5.780 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.532 -3.213 -6.653 1.00 0.00 H new ATOM 742 N VAL A 53 -3.980 -0.075 0.834 1.00 0.00 N ATOM 743 CA VAL A 53 -3.659 0.051 2.276 1.00 0.00 C ATOM 744 C VAL A 53 -3.667 1.529 2.657 1.00 0.00 C ATOM 745 O VAL A 53 -4.036 1.891 3.752 1.00 0.00 O ATOM 746 CB VAL A 53 -2.261 -0.554 2.437 1.00 0.00 C ATOM 747 CG1 VAL A 53 -1.699 -0.210 3.819 1.00 0.00 C ATOM 748 CG2 VAL A 53 -2.353 -2.073 2.299 1.00 0.00 C ATOM 0 H VAL A 53 -3.358 -0.681 0.299 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.378 -0.457 2.919 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.603 -0.147 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.705 -0.644 3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.636 0.873 3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.356 -0.614 4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.361 -2.509 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.014 -2.469 3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.750 -2.326 1.316 1.00 0.00 H new ATOM 758 N TRP A 54 -3.272 2.389 1.754 1.00 0.00 N ATOM 759 CA TRP A 54 -3.270 3.843 2.072 1.00 0.00 C ATOM 760 C TRP A 54 -4.691 4.402 2.009 1.00 0.00 C ATOM 761 O TRP A 54 -5.203 4.922 2.976 1.00 0.00 O ATOM 762 CB TRP A 54 -2.404 4.510 1.007 1.00 0.00 C ATOM 763 CG TRP A 54 -2.549 5.991 1.151 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.623 6.706 0.745 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.627 6.943 1.752 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.417 8.037 1.057 1.00 0.00 N ATOM 767 CE2 TRP A 54 -2.199 8.234 1.676 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.358 6.813 2.348 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.538 9.357 2.174 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.310 7.942 2.851 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.279 9.212 2.763 1.00 0.00 C ATOM 0 H TRP A 54 -2.953 2.147 0.816 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.887 4.026 3.076 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.361 4.216 1.126 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.713 4.192 0.011 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.498 6.303 0.257 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.083 8.782 0.855 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.105 5.840 2.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.996 10.332 2.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.282 7.831 3.308 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.240 10.077 3.150 1.00 0.00 H new ATOM 782 N GLU A 55 -5.328 4.304 0.878 1.00 0.00 N ATOM 783 CA GLU A 55 -6.715 4.842 0.766 1.00 0.00 C ATOM 784 C GLU A 55 -7.537 4.411 1.977 1.00 0.00 C ATOM 785 O GLU A 55 -8.301 5.176 2.530 1.00 0.00 O ATOM 786 CB GLU A 55 -7.286 4.232 -0.513 1.00 0.00 C ATOM 787 CG GLU A 55 -6.504 4.746 -1.720 1.00 0.00 C ATOM 788 CD GLU A 55 -6.874 6.206 -1.981 1.00 0.00 C ATOM 789 OE1 GLU A 55 -8.054 6.515 -1.933 1.00 0.00 O ATOM 790 OE2 GLU A 55 -5.974 6.991 -2.225 1.00 0.00 O ATOM 0 H GLU A 55 -4.954 3.878 0.030 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.733 5.931 0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.229 3.145 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.340 4.492 -0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.433 4.658 -1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.729 4.140 -2.598 1.00 0.00 H new ATOM 797 N LEU A 56 -7.377 3.191 2.393 1.00 0.00 N ATOM 798 CA LEU A 56 -8.137 2.699 3.572 1.00 0.00 C ATOM 799 C LEU A 56 -7.413 3.116 4.856 1.00 0.00 C ATOM 800 O LEU A 56 -7.985 3.139 5.927 1.00 0.00 O ATOM 801 CB LEU A 56 -8.168 1.180 3.403 1.00 0.00 C ATOM 802 CG LEU A 56 -8.794 0.844 2.043 1.00 0.00 C ATOM 803 CD1 LEU A 56 -8.439 -0.591 1.654 1.00 0.00 C ATOM 804 CD2 LEU A 56 -10.319 0.985 2.126 1.00 0.00 C ATOM 0 H LEU A 56 -6.750 2.509 1.966 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.145 3.108 3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.159 0.773 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.745 0.723 4.207 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.406 1.532 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.885 -0.827 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.356 -0.693 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.823 -1.278 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.760 0.746 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.707 0.301 2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.575 2.009 2.398 1.00 0.00 H new ATOM 816 N SER A 57 -6.159 3.475 4.746 1.00 0.00 N ATOM 817 CA SER A 57 -5.394 3.923 5.947 1.00 0.00 C ATOM 818 C SER A 57 -5.496 5.442 6.078 1.00 0.00 C ATOM 819 O SER A 57 -5.337 5.998 7.145 1.00 0.00 O ATOM 820 CB SER A 57 -3.946 3.524 5.685 1.00 0.00 C ATOM 821 OG SER A 57 -3.095 4.240 6.568 1.00 0.00 O ATOM 0 H SER A 57 -5.631 3.477 3.873 1.00 0.00 H new ATOM 0 HA SER A 57 -5.776 3.477 6.865 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.820 2.451 5.831 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.679 3.739 4.650 1.00 0.00 H new ATOM 0 HG SER A 57 -3.414 4.133 7.488 1.00 0.00 H new ATOM 827 N ASP A 58 -5.759 6.119 4.992 1.00 0.00 N ATOM 828 CA ASP A 58 -5.867 7.601 5.046 1.00 0.00 C ATOM 829 C ASP A 58 -7.273 8.009 5.468 1.00 0.00 C ATOM 830 O ASP A 58 -8.012 8.605 4.713 1.00 0.00 O ATOM 831 CB ASP A 58 -5.563 8.082 3.626 1.00 0.00 C ATOM 832 CG ASP A 58 -5.083 9.534 3.671 1.00 0.00 C ATOM 833 OD1 ASP A 58 -5.000 10.077 4.761 1.00 0.00 O ATOM 834 OD2 ASP A 58 -4.807 10.079 2.614 1.00 0.00 O ATOM 0 H ASP A 58 -5.903 5.707 4.070 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.180 8.038 5.771 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.800 7.450 3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.455 8.002 3.005 1.00 0.00 H new ATOM 839 N ILE A 59 -7.637 7.693 6.678 1.00 0.00 N ATOM 840 CA ILE A 59 -8.988 8.057 7.182 1.00 0.00 C ATOM 841 C ILE A 59 -9.373 9.452 6.687 1.00 0.00 C ATOM 842 O ILE A 59 -10.532 9.754 6.486 1.00 0.00 O ATOM 843 CB ILE A 59 -8.848 8.055 8.703 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.529 6.637 9.199 1.00 0.00 C ATOM 845 CG2 ILE A 59 -10.158 8.531 9.330 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.664 5.688 8.820 1.00 0.00 C ATOM 0 H ILE A 59 -7.050 7.193 7.346 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.761 7.369 6.838 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.037 8.724 8.991 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.592 6.291 8.762 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.393 6.642 10.280 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.063 8.531 10.416 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.381 9.541 8.985 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -10.966 7.861 9.037 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.432 4.684 9.174 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.592 6.029 9.278 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.779 5.673 7.736 1.00 0.00 H new ATOM 858 N ASP A 60 -8.403 10.305 6.492 1.00 0.00 N ATOM 859 CA ASP A 60 -8.709 11.684 6.009 1.00 0.00 C ATOM 860 C ASP A 60 -8.559 11.765 4.487 1.00 0.00 C ATOM 861 O ASP A 60 -9.165 12.597 3.841 1.00 0.00 O ATOM 862 CB ASP A 60 -7.683 12.588 6.693 1.00 0.00 C ATOM 863 CG ASP A 60 -7.667 12.304 8.196 1.00 0.00 C ATOM 864 OD1 ASP A 60 -8.703 11.926 8.719 1.00 0.00 O ATOM 865 OD2 ASP A 60 -6.622 12.473 8.801 1.00 0.00 O ATOM 0 H ASP A 60 -7.414 10.108 6.646 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.732 11.978 6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.693 12.416 6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.929 13.635 6.513 1.00 0.00 H new ATOM 870 N HIS A 61 -7.750 10.917 3.910 1.00 0.00 N ATOM 871 CA HIS A 61 -7.560 10.956 2.430 1.00 0.00 C ATOM 872 C HIS A 61 -7.022 12.325 2.012 1.00 0.00 C ATOM 873 O HIS A 61 -7.528 12.954 1.103 1.00 0.00 O ATOM 874 CB HIS A 61 -8.949 10.721 1.829 1.00 0.00 C ATOM 875 CG HIS A 61 -9.500 9.410 2.321 1.00 0.00 C ATOM 876 ND1 HIS A 61 -10.194 9.075 3.458 1.00 0.00 N flip ATOM 877 CD2 HIS A 61 -9.369 8.235 1.598 1.00 0.00 C flip ATOM 878 CE1 HIS A 61 -10.490 7.716 3.445 1.00 0.00 C flip ATOM 879 NE2 HIS A 61 -9.971 7.257 2.301 1.00 0.00 N flip ATOM 0 H HIS A 61 -7.213 10.200 4.398 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.846 10.207 2.089 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.618 11.535 2.107 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.889 10.716 0.741 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -10.453 9.725 4.200 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.874 8.124 0.644 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -11.024 7.153 4.196 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -10.025 6.285 1.998 1.00 0.00 H new ATOM 887 N ASP A 62 -6.001 12.794 2.673 1.00 0.00 N ATOM 888 CA ASP A 62 -5.432 14.125 2.318 1.00 0.00 C ATOM 889 C ASP A 62 -3.979 13.977 1.839 1.00 0.00 C ATOM 890 O ASP A 62 -3.393 14.905 1.317 1.00 0.00 O ATOM 891 CB ASP A 62 -5.511 14.942 3.612 1.00 0.00 C ATOM 892 CG ASP A 62 -4.358 14.564 4.545 1.00 0.00 C ATOM 893 OD1 ASP A 62 -4.344 13.437 5.009 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.511 15.409 4.780 1.00 0.00 O ATOM 0 H ASP A 62 -5.536 12.314 3.443 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.973 14.607 1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.469 16.007 3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.465 14.761 4.108 1.00 0.00 H new ATOM 899 N GLY A 63 -3.398 12.819 2.008 1.00 0.00 N ATOM 900 CA GLY A 63 -1.988 12.617 1.558 1.00 0.00 C ATOM 901 C GLY A 63 -1.087 12.376 2.773 1.00 0.00 C ATOM 902 O GLY A 63 0.123 12.348 2.666 1.00 0.00 O ATOM 0 H GLY A 63 -3.837 12.005 2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.932 11.768 0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.644 13.491 1.006 1.00 0.00 H new ATOM 906 N MET A 64 -1.671 12.206 3.927 1.00 0.00 N ATOM 907 CA MET A 64 -0.863 11.970 5.156 1.00 0.00 C ATOM 908 C MET A 64 -1.577 10.977 6.080 1.00 0.00 C ATOM 909 O MET A 64 -2.766 10.754 5.961 1.00 0.00 O ATOM 910 CB MET A 64 -0.763 13.341 5.810 1.00 0.00 C ATOM 911 CG MET A 64 0.602 13.928 5.506 1.00 0.00 C ATOM 912 SD MET A 64 0.724 15.600 6.171 1.00 0.00 S ATOM 913 CE MET A 64 2.514 15.581 6.432 1.00 0.00 C ATOM 0 H MET A 64 -2.681 12.221 4.072 1.00 0.00 H new ATOM 0 HA MET A 64 0.116 11.543 4.941 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.548 13.997 5.434 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.906 13.257 6.887 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.381 13.299 5.938 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.767 13.944 4.429 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.787 16.365 7.138 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.813 14.612 6.832 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.022 15.755 5.483 1.00 0.00 H new ATOM 923 N LEU A 65 -0.864 10.371 6.992 1.00 0.00 N ATOM 924 CA LEU A 65 -1.511 9.386 7.913 1.00 0.00 C ATOM 925 C LEU A 65 -1.286 9.776 9.377 1.00 0.00 C ATOM 926 O LEU A 65 -0.169 9.793 9.857 1.00 0.00 O ATOM 927 CB LEU A 65 -0.803 8.060 7.631 1.00 0.00 C ATOM 928 CG LEU A 65 -1.260 7.495 6.289 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.375 6.301 5.922 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.716 7.034 6.398 1.00 0.00 C ATOM 0 H LEU A 65 0.135 10.513 7.140 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.588 9.338 7.752 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.277 8.210 7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.019 7.347 8.427 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.181 8.264 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.695 5.892 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.663 6.626 5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.461 5.534 6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.043 6.630 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.797 6.262 7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.346 7.881 6.669 1.00 0.00 H new ATOM 942 N ASP A 66 -2.332 10.069 10.102 1.00 0.00 N ATOM 943 CA ASP A 66 -2.154 10.427 11.538 1.00 0.00 C ATOM 944 C ASP A 66 -1.787 9.172 12.344 1.00 0.00 C ATOM 945 O ASP A 66 -2.010 8.058 11.914 1.00 0.00 O ATOM 946 CB ASP A 66 -3.506 11.010 11.984 1.00 0.00 C ATOM 947 CG ASP A 66 -4.400 9.922 12.591 1.00 0.00 C ATOM 948 OD1 ASP A 66 -4.184 9.581 13.741 1.00 0.00 O ATOM 949 OD2 ASP A 66 -5.286 9.455 11.894 1.00 0.00 O ATOM 0 H ASP A 66 -3.295 10.076 9.765 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.350 11.146 11.696 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.341 11.801 12.716 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.009 11.465 11.131 1.00 0.00 H new ATOM 954 N ARG A 67 -1.219 9.350 13.503 1.00 0.00 N ATOM 955 CA ARG A 67 -0.826 8.176 14.339 1.00 0.00 C ATOM 956 C ARG A 67 -1.906 7.087 14.321 1.00 0.00 C ATOM 957 O ARG A 67 -1.607 5.909 14.302 1.00 0.00 O ATOM 958 CB ARG A 67 -0.648 8.737 15.751 1.00 0.00 C ATOM 959 CG ARG A 67 -1.798 9.692 16.076 1.00 0.00 C ATOM 960 CD ARG A 67 -1.804 9.993 17.577 1.00 0.00 C ATOM 961 NE ARG A 67 -1.928 8.662 18.234 1.00 0.00 N ATOM 962 CZ ARG A 67 -1.545 8.509 19.471 1.00 0.00 C ATOM 963 NH1 ARG A 67 -1.587 9.520 20.296 1.00 0.00 N ATOM 964 NH2 ARG A 67 -1.118 7.348 19.883 1.00 0.00 N ATOM 0 H ARG A 67 -1.008 10.261 13.911 1.00 0.00 H new ATOM 0 HA ARG A 67 0.082 7.704 13.964 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.623 7.923 16.475 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.305 9.261 15.827 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.688 10.617 15.509 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.748 9.248 15.780 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.889 10.500 17.882 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.635 10.645 17.846 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.312 7.871 17.717 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.919 10.429 19.973 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.288 9.401 21.264 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.083 6.559 19.238 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.818 7.229 20.851 1.00 0.00 H new ATOM 978 N ASP A 68 -3.156 7.460 14.323 1.00 0.00 N ATOM 979 CA ASP A 68 -4.235 6.429 14.302 1.00 0.00 C ATOM 980 C ASP A 68 -4.445 5.940 12.873 1.00 0.00 C ATOM 981 O ASP A 68 -4.805 4.804 12.631 1.00 0.00 O ATOM 982 CB ASP A 68 -5.485 7.141 14.827 1.00 0.00 C ATOM 983 CG ASP A 68 -5.336 7.389 16.329 1.00 0.00 C ATOM 984 OD1 ASP A 68 -5.053 6.440 17.041 1.00 0.00 O ATOM 985 OD2 ASP A 68 -5.507 8.524 16.741 1.00 0.00 O ATOM 0 H ASP A 68 -3.477 8.428 14.338 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.993 5.556 14.909 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.625 8.087 14.303 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.370 6.535 14.633 1.00 0.00 H new ATOM 990 N GLU A 69 -4.201 6.794 11.924 1.00 0.00 N ATOM 991 CA GLU A 69 -4.357 6.400 10.502 1.00 0.00 C ATOM 992 C GLU A 69 -3.200 5.501 10.105 1.00 0.00 C ATOM 993 O GLU A 69 -3.379 4.462 9.503 1.00 0.00 O ATOM 994 CB GLU A 69 -4.298 7.712 9.738 1.00 0.00 C ATOM 995 CG GLU A 69 -5.714 8.189 9.463 1.00 0.00 C ATOM 996 CD GLU A 69 -5.674 9.511 8.697 1.00 0.00 C ATOM 997 OE1 GLU A 69 -5.380 10.522 9.312 1.00 0.00 O ATOM 998 OE2 GLU A 69 -5.939 9.487 7.506 1.00 0.00 O ATOM 0 H GLU A 69 -3.898 7.756 12.074 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.279 5.854 10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.754 8.460 10.316 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.757 7.578 8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.255 7.439 8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.253 8.318 10.402 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.009 5.890 10.457 1.00 0.00 N ATOM 1006 CA PHE A 70 -0.836 5.051 10.119 1.00 0.00 C ATOM 1007 C PHE A 70 -1.007 3.684 10.772 1.00 0.00 C ATOM 1008 O PHE A 70 -0.379 2.718 10.396 1.00 0.00 O ATOM 1009 CB PHE A 70 0.363 5.790 10.707 1.00 0.00 C ATOM 1010 CG PHE A 70 1.627 5.204 10.143 1.00 0.00 C ATOM 1011 CD1 PHE A 70 2.059 5.568 8.861 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.369 4.291 10.899 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.231 5.017 8.337 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.539 3.741 10.375 1.00 0.00 C ATOM 1015 CZ PHE A 70 3.971 4.105 9.093 1.00 0.00 C ATOM 0 H PHE A 70 -1.800 6.751 10.963 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.714 4.893 9.047 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.303 6.852 10.470 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.361 5.705 11.794 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.486 6.274 8.278 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.036 4.012 11.888 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.564 5.296 7.348 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.112 3.035 10.958 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.878 3.680 8.689 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.870 3.597 11.746 1.00 0.00 N ATOM 1026 CA ALA A 71 -2.093 2.288 12.421 1.00 0.00 C ATOM 1027 C ALA A 71 -2.862 1.352 11.493 1.00 0.00 C ATOM 1028 O ALA A 71 -2.484 0.215 11.272 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.932 2.622 13.653 1.00 0.00 C ATOM 0 H ALA A 71 -2.428 4.372 12.103 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.161 1.788 12.684 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.142 1.708 14.209 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.383 3.316 14.290 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.870 3.080 13.341 1.00 0.00 H new ATOM 1035 N VAL A 72 -3.939 1.832 10.945 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.747 0.985 10.024 1.00 0.00 C ATOM 1037 C VAL A 72 -3.900 0.574 8.815 1.00 0.00 C ATOM 1038 O VAL A 72 -4.186 -0.400 8.147 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.917 1.871 9.586 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.860 1.062 8.693 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.687 2.363 10.819 1.00 0.00 C ATOM 0 H VAL A 72 -4.297 2.775 11.094 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.093 0.068 10.501 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.531 2.728 9.035 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.694 1.691 8.380 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.318 0.713 7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.241 0.205 9.248 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.518 2.993 10.502 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.072 1.507 11.373 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.019 2.939 11.459 1.00 0.00 H new ATOM 1051 N ALA A 73 -2.860 1.314 8.525 1.00 0.00 N ATOM 1052 CA ALA A 73 -2.000 0.968 7.355 1.00 0.00 C ATOM 1053 C ALA A 73 -0.866 0.026 7.767 1.00 0.00 C ATOM 1054 O ALA A 73 -0.109 -0.443 6.939 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.431 2.302 6.876 1.00 0.00 C ATOM 0 H ALA A 73 -2.570 2.141 9.047 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.565 0.453 6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.785 2.134 6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.248 2.965 6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.853 2.760 7.679 1.00 0.00 H new ATOM 1061 N MET A 74 -0.732 -0.256 9.033 1.00 0.00 N ATOM 1062 CA MET A 74 0.365 -1.167 9.474 1.00 0.00 C ATOM 1063 C MET A 74 -0.104 -2.615 9.419 1.00 0.00 C ATOM 1064 O MET A 74 0.580 -3.478 8.907 1.00 0.00 O ATOM 1065 CB MET A 74 0.684 -0.750 10.910 1.00 0.00 C ATOM 1066 CG MET A 74 1.184 0.695 10.914 1.00 0.00 C ATOM 1067 SD MET A 74 2.983 0.712 11.065 1.00 0.00 S ATOM 1068 CE MET A 74 3.336 0.237 9.357 1.00 0.00 C ATOM 0 H MET A 74 -1.330 0.101 9.778 1.00 0.00 H new ATOM 0 HA MET A 74 1.244 -1.096 8.834 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.205 -0.842 11.534 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.440 -1.410 11.334 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.881 1.198 9.996 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.734 1.244 11.741 1.00 0.00 H new ATOM 0 HE1 MET A 74 4.199 0.796 8.995 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.551 -0.831 9.313 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.471 0.459 8.732 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.272 -2.889 9.916 1.00 0.00 N ATOM 1079 CA PHE A 75 -1.768 -4.285 9.851 1.00 0.00 C ATOM 1080 C PHE A 75 -2.201 -4.561 8.412 1.00 0.00 C ATOM 1081 O PHE A 75 -2.038 -5.648 7.895 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.935 -4.357 10.840 1.00 0.00 C ATOM 1083 CG PHE A 75 -4.211 -3.908 10.179 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -4.899 -4.780 9.330 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -4.703 -2.621 10.413 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -6.081 -4.364 8.714 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -5.886 -2.205 9.798 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.576 -3.078 8.946 1.00 0.00 C ATOM 0 H PHE A 75 -1.898 -2.217 10.359 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.022 -5.034 10.116 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.047 -5.377 11.206 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.726 -3.729 11.706 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.517 -5.774 9.151 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.169 -1.949 11.069 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.613 -5.037 8.058 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.269 -1.211 9.979 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.490 -2.757 8.469 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.715 -3.559 7.748 1.00 0.00 N ATOM 1099 CA LEU A 76 -3.114 -3.740 6.329 1.00 0.00 C ATOM 1100 C LEU A 76 -1.883 -4.166 5.540 1.00 0.00 C ATOM 1101 O LEU A 76 -1.964 -4.881 4.562 1.00 0.00 O ATOM 1102 CB LEU A 76 -3.601 -2.366 5.865 1.00 0.00 C ATOM 1103 CG LEU A 76 -5.021 -2.122 6.369 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -5.475 -0.725 5.946 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -5.963 -3.169 5.767 1.00 0.00 C ATOM 0 H LEU A 76 -2.874 -2.626 8.130 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.888 -4.495 6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.934 -1.589 6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.577 -2.310 4.777 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.041 -2.199 7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.489 -0.548 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.804 0.020 6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.456 -0.650 4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.977 -2.995 6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.945 -3.092 4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.638 -4.166 6.066 1.00 0.00 H new ATOM 1117 N VAL A 77 -0.735 -3.727 5.977 1.00 0.00 N ATOM 1118 CA VAL A 77 0.525 -4.093 5.285 1.00 0.00 C ATOM 1119 C VAL A 77 1.113 -5.357 5.903 1.00 0.00 C ATOM 1120 O VAL A 77 1.536 -6.255 5.207 1.00 0.00 O ATOM 1121 CB VAL A 77 1.448 -2.890 5.506 1.00 0.00 C ATOM 1122 CG1 VAL A 77 2.828 -3.172 4.908 1.00 0.00 C ATOM 1123 CG2 VAL A 77 0.845 -1.662 4.822 1.00 0.00 C ATOM 0 H VAL A 77 -0.619 -3.125 6.792 1.00 0.00 H new ATOM 0 HA VAL A 77 0.381 -4.305 4.226 1.00 0.00 H new ATOM 0 HB VAL A 77 1.551 -2.709 6.576 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.477 -2.312 5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.261 -4.049 5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.730 -3.357 3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.498 -0.803 4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.743 -1.854 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.136 -1.453 5.248 1.00 0.00 H new ATOM 1133 N TYR A 78 1.146 -5.433 7.205 1.00 0.00 N ATOM 1134 CA TYR A 78 1.717 -6.640 7.861 1.00 0.00 C ATOM 1135 C TYR A 78 0.775 -7.837 7.724 1.00 0.00 C ATOM 1136 O TYR A 78 1.200 -8.975 7.747 1.00 0.00 O ATOM 1137 CB TYR A 78 1.895 -6.251 9.323 1.00 0.00 C ATOM 1138 CG TYR A 78 3.342 -5.910 9.553 1.00 0.00 C ATOM 1139 CD1 TYR A 78 4.339 -6.818 9.173 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.687 -4.685 10.130 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.687 -6.497 9.378 1.00 0.00 C ATOM 1142 CE2 TYR A 78 5.032 -4.364 10.336 1.00 0.00 C ATOM 1143 CZ TYR A 78 6.033 -5.268 9.958 1.00 0.00 C ATOM 1144 OH TYR A 78 7.362 -4.950 10.160 1.00 0.00 O ATOM 0 H TYR A 78 0.803 -4.713 7.841 1.00 0.00 H new ATOM 0 HA TYR A 78 2.659 -6.943 7.403 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.261 -5.399 9.568 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.591 -7.071 9.973 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.069 -7.762 8.724 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.915 -3.986 10.417 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.459 -7.195 9.090 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.299 -3.419 10.786 1.00 0.00 H new ATOM 0 HH TYR A 78 7.427 -4.062 10.570 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.495 -7.598 7.576 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.442 -8.737 7.431 1.00 0.00 C ATOM 1156 C CYS A 79 -1.498 -9.179 5.967 1.00 0.00 C ATOM 1157 O CYS A 79 -1.927 -10.272 5.657 1.00 0.00 O ATOM 1158 CB CYS A 79 -2.800 -8.199 7.885 1.00 0.00 C ATOM 1159 SG CYS A 79 -2.700 -7.687 9.620 1.00 0.00 S ATOM 0 H CYS A 79 -0.918 -6.670 7.549 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.141 -9.604 8.020 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.095 -7.354 7.262 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.565 -8.966 7.765 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.894 -7.429 10.066 1.00 0.00 H new ATOM 1165 N ALA A 80 -1.064 -8.338 5.064 1.00 0.00 N ATOM 1166 CA ALA A 80 -1.093 -8.716 3.622 1.00 0.00 C ATOM 1167 C ALA A 80 0.089 -9.627 3.300 1.00 0.00 C ATOM 1168 O ALA A 80 0.148 -10.240 2.253 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.978 -7.396 2.861 1.00 0.00 C ATOM 0 H ALA A 80 -0.692 -7.409 5.263 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.999 -9.259 3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.992 -7.592 1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.816 -6.751 3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.043 -6.903 3.127 1.00 0.00 H new ATOM 1175 N LEU A 81 1.031 -9.718 4.195 1.00 0.00 N ATOM 1176 CA LEU A 81 2.213 -10.589 3.949 1.00 0.00 C ATOM 1177 C LEU A 81 1.951 -11.988 4.481 1.00 0.00 C ATOM 1178 O LEU A 81 2.208 -12.979 3.827 1.00 0.00 O ATOM 1179 CB LEU A 81 3.343 -9.964 4.744 1.00 0.00 C ATOM 1180 CG LEU A 81 3.730 -8.640 4.117 1.00 0.00 C ATOM 1181 CD1 LEU A 81 3.699 -7.572 5.198 1.00 0.00 C ATOM 1182 CD2 LEU A 81 5.134 -8.760 3.535 1.00 0.00 C ATOM 0 H LEU A 81 1.034 -9.226 5.088 1.00 0.00 H new ATOM 0 HA LEU A 81 2.439 -10.667 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.034 -9.812 5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.202 -10.634 4.763 1.00 0.00 H new ATOM 0 HG LEU A 81 3.038 -8.372 3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.975 -6.610 4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.695 -7.507 5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.405 -7.832 5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.422 -7.812 3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.837 -9.010 4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.148 -9.544 2.778 1.00 0.00 H new ATOM 1194 N GLU A 82 1.456 -12.069 5.680 1.00 0.00 N ATOM 1195 CA GLU A 82 1.191 -13.397 6.278 1.00 0.00 C ATOM 1196 C GLU A 82 0.048 -14.072 5.538 1.00 0.00 C ATOM 1197 O GLU A 82 0.114 -15.242 5.218 1.00 0.00 O ATOM 1198 CB GLU A 82 0.805 -13.122 7.731 1.00 0.00 C ATOM 1199 CG GLU A 82 -0.506 -12.335 7.779 1.00 0.00 C ATOM 1200 CD GLU A 82 -0.797 -11.921 9.222 1.00 0.00 C ATOM 1201 OE1 GLU A 82 0.088 -12.065 10.048 1.00 0.00 O ATOM 1202 OE2 GLU A 82 -1.900 -11.466 9.477 1.00 0.00 O ATOM 0 H GLU A 82 1.224 -11.271 6.271 1.00 0.00 H new ATOM 0 HA GLU A 82 2.055 -14.059 6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.696 -14.062 8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.596 -12.559 8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.437 -11.453 7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.323 -12.944 7.392 1.00 0.00 H new ATOM 1209 N LYS A 83 -0.994 -13.348 5.245 1.00 0.00 N ATOM 1210 CA LYS A 83 -2.122 -13.985 4.503 1.00 0.00 C ATOM 1211 C LYS A 83 -3.297 -13.027 4.280 1.00 0.00 C ATOM 1212 O LYS A 83 -3.982 -13.111 3.283 1.00 0.00 O ATOM 1213 CB LYS A 83 -2.559 -15.163 5.380 1.00 0.00 C ATOM 1214 CG LYS A 83 -3.919 -15.678 4.903 1.00 0.00 C ATOM 1215 CD LYS A 83 -4.286 -16.946 5.676 1.00 0.00 C ATOM 1216 CE LYS A 83 -4.158 -18.160 4.752 1.00 0.00 C ATOM 1217 NZ LYS A 83 -3.040 -18.962 5.321 1.00 0.00 N ATOM 0 H LYS A 83 -1.116 -12.363 5.480 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.802 -14.290 3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.818 -15.961 5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.622 -14.850 6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.682 -14.914 5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.885 -15.888 3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.630 -17.061 6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.304 -16.871 6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.083 -18.736 4.726 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.944 -17.855 3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.892 -19.812 4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.171 -18.391 5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.275 -19.244 6.294 1.00 0.00 H new ATOM 1231 N GLU A 84 -3.569 -12.152 5.206 1.00 0.00 N ATOM 1232 CA GLU A 84 -4.741 -11.235 5.035 1.00 0.00 C ATOM 1233 C GLU A 84 -4.381 -10.005 4.196 1.00 0.00 C ATOM 1234 O GLU A 84 -3.674 -9.129 4.647 1.00 0.00 O ATOM 1235 CB GLU A 84 -5.131 -10.830 6.457 1.00 0.00 C ATOM 1236 CG GLU A 84 -6.132 -11.848 7.010 1.00 0.00 C ATOM 1237 CD GLU A 84 -6.825 -11.271 8.243 1.00 0.00 C ATOM 1238 OE1 GLU A 84 -6.126 -10.852 9.151 1.00 0.00 O ATOM 1239 OE2 GLU A 84 -8.046 -11.260 8.261 1.00 0.00 O ATOM 0 H GLU A 84 -3.039 -12.028 6.069 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.558 -11.723 4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.246 -10.789 7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.570 -9.832 6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.871 -12.096 6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.618 -12.774 7.269 1.00 0.00 H new ATOM 1246 N PRO A 85 -4.897 -9.980 2.994 1.00 0.00 N ATOM 1247 CA PRO A 85 -4.639 -8.847 2.071 1.00 0.00 C ATOM 1248 C PRO A 85 -5.384 -7.595 2.532 1.00 0.00 C ATOM 1249 O PRO A 85 -5.814 -7.488 3.664 1.00 0.00 O ATOM 1250 CB PRO A 85 -5.194 -9.337 0.736 1.00 0.00 C ATOM 1251 CG PRO A 85 -6.222 -10.359 1.099 1.00 0.00 C ATOM 1252 CD PRO A 85 -5.769 -10.994 2.387 1.00 0.00 C ATOM 0 HA PRO A 85 -3.585 -8.574 2.020 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.634 -8.518 0.167 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.408 -9.770 0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.201 -9.896 1.220 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -6.318 -11.107 0.312 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.614 -11.233 3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.233 -11.925 2.206 1.00 0.00 H new ATOM 1260 N VAL A 86 -5.543 -6.654 1.650 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.263 -5.403 1.999 1.00 0.00 C ATOM 1262 C VAL A 86 -7.634 -5.417 1.328 1.00 0.00 C ATOM 1263 O VAL A 86 -7.810 -6.056 0.309 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.387 -4.287 1.432 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -5.943 -2.925 1.846 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -3.967 -4.442 1.977 1.00 0.00 C ATOM 0 H VAL A 86 -5.201 -6.699 0.690 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.427 -5.279 3.069 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.378 -4.352 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.312 -2.135 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.957 -2.814 1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.956 -2.853 2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.335 -3.649 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.986 -4.377 3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.566 -5.411 1.678 1.00 0.00 H new ATOM 1276 N PRO A 87 -8.568 -4.726 1.915 1.00 0.00 N ATOM 1277 CA PRO A 87 -9.919 -4.690 1.350 1.00 0.00 C ATOM 1278 C PRO A 87 -10.014 -3.585 0.300 1.00 0.00 C ATOM 1279 O PRO A 87 -9.017 -3.061 -0.154 1.00 0.00 O ATOM 1280 CB PRO A 87 -10.798 -4.396 2.559 1.00 0.00 C ATOM 1281 CG PRO A 87 -9.907 -3.705 3.552 1.00 0.00 C ATOM 1282 CD PRO A 87 -8.471 -3.924 3.133 1.00 0.00 C ATOM 0 HA PRO A 87 -10.211 -5.610 0.843 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -11.642 -3.764 2.284 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.210 -5.315 2.976 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -10.134 -2.639 3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.075 -4.101 4.553 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.962 -2.978 2.947 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.906 -4.443 3.907 1.00 0.00 H new ATOM 1290 N MET A 88 -11.199 -3.238 -0.099 1.00 0.00 N ATOM 1291 CA MET A 88 -11.344 -2.179 -1.133 1.00 0.00 C ATOM 1292 C MET A 88 -12.228 -1.039 -0.630 1.00 0.00 C ATOM 1293 O MET A 88 -12.639 -0.187 -1.393 1.00 0.00 O ATOM 1294 CB MET A 88 -12.014 -2.879 -2.309 1.00 0.00 C ATOM 1295 CG MET A 88 -11.100 -3.985 -2.837 1.00 0.00 C ATOM 1296 SD MET A 88 -11.894 -4.804 -4.241 1.00 0.00 S ATOM 1297 CE MET A 88 -12.185 -3.316 -5.229 1.00 0.00 C ATOM 0 H MET A 88 -12.073 -3.638 0.243 1.00 0.00 H new ATOM 0 HA MET A 88 -10.384 -1.736 -1.397 1.00 0.00 H new ATOM 0 HB2 MET A 88 -12.969 -3.301 -1.997 1.00 0.00 H new ATOM 0 HB3 MET A 88 -12.226 -2.160 -3.100 1.00 0.00 H new ATOM 0 HG2 MET A 88 -10.142 -3.565 -3.142 1.00 0.00 H new ATOM 0 HG3 MET A 88 -10.894 -4.709 -2.049 1.00 0.00 H new ATOM 0 HE1 MET A 88 -12.161 -3.572 -6.288 1.00 0.00 H new ATOM 0 HE2 MET A 88 -13.160 -2.898 -4.979 1.00 0.00 H new ATOM 0 HE3 MET A 88 -11.409 -2.580 -5.016 1.00 0.00 H new ATOM 1307 N SER A 89 -12.538 -1.007 0.637 1.00 0.00 N ATOM 1308 CA SER A 89 -13.410 0.096 1.129 1.00 0.00 C ATOM 1309 C SER A 89 -13.447 0.156 2.647 1.00 0.00 C ATOM 1310 O SER A 89 -14.357 0.700 3.238 1.00 0.00 O ATOM 1311 CB SER A 89 -14.778 -0.241 0.580 1.00 0.00 C ATOM 1312 OG SER A 89 -15.443 0.951 0.185 1.00 0.00 O ATOM 0 H SER A 89 -12.233 -1.681 1.339 1.00 0.00 H new ATOM 0 HA SER A 89 -13.047 1.072 0.806 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.683 -0.915 -0.271 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.365 -0.763 1.336 1.00 0.00 H new ATOM 0 HG SER A 89 -16.328 0.729 -0.172 1.00 0.00 H new ATOM 1318 N LEU A 90 -12.451 -0.366 3.264 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.376 -0.325 4.754 1.00 0.00 C ATOM 1320 C LEU A 90 -13.641 -0.901 5.404 1.00 0.00 C ATOM 1321 O LEU A 90 -14.724 -0.382 5.228 1.00 0.00 O ATOM 1322 CB LEU A 90 -12.260 1.161 5.082 1.00 0.00 C ATOM 1323 CG LEU A 90 -10.993 1.410 5.894 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -10.829 2.912 6.121 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -11.103 0.696 7.244 1.00 0.00 C ATOM 0 H LEU A 90 -11.666 -0.830 2.806 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.543 -0.920 5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -12.235 1.746 4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -13.134 1.489 5.644 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.129 1.026 5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.925 3.096 6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.752 3.419 5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -11.693 3.294 6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.198 0.874 7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.965 1.080 7.789 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.225 -0.375 7.080 1.00 0.00 H new ATOM 1337 N PRO A 91 -13.452 -1.941 6.168 1.00 0.00 N ATOM 1338 CA PRO A 91 -14.586 -2.571 6.884 1.00 0.00 C ATOM 1339 C PRO A 91 -15.021 -1.682 8.058 1.00 0.00 C ATOM 1340 O PRO A 91 -14.355 -0.720 8.388 1.00 0.00 O ATOM 1341 CB PRO A 91 -14.010 -3.896 7.371 1.00 0.00 C ATOM 1342 CG PRO A 91 -12.533 -3.674 7.450 1.00 0.00 C ATOM 1343 CD PRO A 91 -12.182 -2.624 6.429 1.00 0.00 C ATOM 0 HA PRO A 91 -15.472 -2.710 6.265 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.420 -4.170 8.343 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -14.250 -4.707 6.683 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.246 -3.348 8.450 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.994 -4.600 7.250 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.429 -1.934 6.810 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.776 -3.070 5.521 1.00 0.00 H new ATOM 1351 N PRO A 92 -16.140 -2.026 8.638 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.692 -1.240 9.774 1.00 0.00 C ATOM 1353 C PRO A 92 -15.878 -1.443 11.061 1.00 0.00 C ATOM 1354 O PRO A 92 -15.992 -0.676 11.997 1.00 0.00 O ATOM 1355 CB PRO A 92 -18.104 -1.797 9.936 1.00 0.00 C ATOM 1356 CG PRO A 92 -18.041 -3.180 9.370 1.00 0.00 C ATOM 1357 CD PRO A 92 -16.992 -3.167 8.290 1.00 0.00 C ATOM 0 HA PRO A 92 -16.667 -0.167 9.585 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -18.405 -1.812 10.984 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.833 -1.186 9.404 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -17.787 -3.903 10.145 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.009 -3.475 8.964 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -16.425 -4.098 8.273 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.437 -3.046 7.302 1.00 0.00 H new ATOM 1365 N ALA A 93 -15.070 -2.466 11.130 1.00 0.00 N ATOM 1366 CA ALA A 93 -14.274 -2.698 12.373 1.00 0.00 C ATOM 1367 C ALA A 93 -12.905 -2.025 12.276 1.00 0.00 C ATOM 1368 O ALA A 93 -12.023 -2.286 13.070 1.00 0.00 O ATOM 1369 CB ALA A 93 -14.098 -4.214 12.452 1.00 0.00 C ATOM 0 H ALA A 93 -14.926 -3.148 10.386 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.771 -2.286 13.251 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.521 -4.467 13.341 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.076 -4.692 12.506 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.571 -4.566 11.565 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.708 -1.177 11.306 1.00 0.00 N ATOM 1376 CA LEU A 94 -11.377 -0.521 11.164 1.00 0.00 C ATOM 1377 C LEU A 94 -11.462 0.984 11.421 1.00 0.00 C ATOM 1378 O LEU A 94 -10.463 1.636 11.653 1.00 0.00 O ATOM 1379 CB LEU A 94 -10.984 -0.782 9.711 1.00 0.00 C ATOM 1380 CG LEU A 94 -10.290 -2.136 9.613 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -8.877 -2.012 10.179 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -11.075 -3.172 10.423 1.00 0.00 C ATOM 0 H LEU A 94 -13.404 -0.911 10.610 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.655 -0.911 11.882 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.869 -0.767 9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.321 0.006 9.354 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.244 -2.453 8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.373 -2.976 10.113 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.319 -1.271 9.606 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.929 -1.700 11.222 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.579 -4.140 10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -11.118 -2.861 11.467 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -12.087 -3.253 10.026 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.635 1.547 11.367 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.759 3.016 11.591 1.00 0.00 C ATOM 1396 C VAL A 95 -12.734 3.345 13.087 1.00 0.00 C ATOM 1397 O VAL A 95 -13.501 2.802 13.856 1.00 0.00 O ATOM 1398 CB VAL A 95 -14.108 3.407 10.984 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -14.148 4.923 10.771 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -14.289 2.701 9.637 1.00 0.00 C ATOM 0 H VAL A 95 -13.510 1.058 11.179 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.931 3.561 11.136 1.00 0.00 H new ATOM 0 HB VAL A 95 -14.910 3.110 11.660 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -15.108 5.204 10.339 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -14.019 5.428 11.728 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -13.345 5.217 10.095 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -15.250 2.981 9.206 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.488 2.998 8.960 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.258 1.622 9.785 1.00 0.00 H new ATOM 1410 N PRO A 96 -11.855 4.245 13.442 1.00 0.00 N ATOM 1411 CA PRO A 96 -11.732 4.678 14.858 1.00 0.00 C ATOM 1412 C PRO A 96 -12.951 5.522 15.246 1.00 0.00 C ATOM 1413 O PRO A 96 -13.807 5.777 14.422 1.00 0.00 O ATOM 1414 CB PRO A 96 -10.450 5.512 14.864 1.00 0.00 C ATOM 1415 CG PRO A 96 -10.290 5.988 13.456 1.00 0.00 C ATOM 1416 CD PRO A 96 -10.900 4.937 12.569 1.00 0.00 C ATOM 0 HA PRO A 96 -11.691 3.854 15.571 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -10.528 6.350 15.557 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.593 4.916 15.179 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.785 6.948 13.314 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.237 6.134 13.215 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -11.397 5.382 11.707 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.144 4.253 12.183 1.00 0.00 H new ATOM 1424 N PRO A 97 -13.001 5.926 16.489 1.00 0.00 N ATOM 1425 CA PRO A 97 -14.143 6.746 16.974 1.00 0.00 C ATOM 1426 C PRO A 97 -14.140 8.123 16.307 1.00 0.00 C ATOM 1427 O PRO A 97 -13.198 8.501 15.640 1.00 0.00 O ATOM 1428 CB PRO A 97 -13.896 6.853 18.477 1.00 0.00 C ATOM 1429 CG PRO A 97 -12.426 6.641 18.634 1.00 0.00 C ATOM 1430 CD PRO A 97 -12.020 5.674 17.553 1.00 0.00 C ATOM 0 HA PRO A 97 -15.114 6.309 16.742 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -14.199 7.827 18.860 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.465 6.103 19.027 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -11.885 7.582 18.537 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -12.194 6.241 19.621 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.001 5.856 17.212 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.060 4.642 17.901 1.00 0.00 H new ATOM 1438 N SER A 98 -15.200 8.869 16.470 1.00 0.00 N ATOM 1439 CA SER A 98 -15.282 10.218 15.837 1.00 0.00 C ATOM 1440 C SER A 98 -15.480 10.068 14.333 1.00 0.00 C ATOM 1441 O SER A 98 -16.431 10.571 13.767 1.00 0.00 O ATOM 1442 CB SER A 98 -13.954 10.909 16.153 1.00 0.00 C ATOM 1443 OG SER A 98 -13.202 11.061 14.954 1.00 0.00 O ATOM 0 H SER A 98 -16.017 8.600 17.018 1.00 0.00 H new ATOM 0 HA SER A 98 -16.122 10.801 16.214 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.137 11.883 16.606 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.389 10.322 16.877 1.00 0.00 H new ATOM 0 HG SER A 98 -12.621 10.281 14.831 1.00 0.00 H new ATOM 1449 N LYS A 99 -14.611 9.353 13.684 1.00 0.00 N ATOM 1450 CA LYS A 99 -14.774 9.141 12.225 1.00 0.00 C ATOM 1451 C LYS A 99 -15.634 7.897 12.011 1.00 0.00 C ATOM 1452 O LYS A 99 -15.688 7.338 10.934 1.00 0.00 O ATOM 1453 CB LYS A 99 -13.360 8.917 11.691 1.00 0.00 C ATOM 1454 CG LYS A 99 -12.672 10.267 11.477 1.00 0.00 C ATOM 1455 CD LYS A 99 -12.933 10.754 10.051 1.00 0.00 C ATOM 1456 CE LYS A 99 -11.717 11.533 9.544 1.00 0.00 C ATOM 1457 NZ LYS A 99 -11.966 12.944 9.952 1.00 0.00 N ATOM 0 H LYS A 99 -13.794 8.906 14.101 1.00 0.00 H new ATOM 0 HA LYS A 99 -15.257 9.978 11.720 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.787 8.313 12.394 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.398 8.364 10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.047 10.996 12.196 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.600 10.172 11.649 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.132 9.905 9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.819 11.388 10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.794 11.153 9.982 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.616 11.447 8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.174 13.541 9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.847 13.281 9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.051 12.996 10.987 1.00 0.00 H new ATOM 1471 N ARG A 100 -16.305 7.457 13.045 1.00 0.00 N ATOM 1472 CA ARG A 100 -17.163 6.242 12.918 1.00 0.00 C ATOM 1473 C ARG A 100 -18.074 6.358 11.693 1.00 0.00 C ATOM 1474 O ARG A 100 -18.126 5.472 10.862 1.00 0.00 O ATOM 1475 CB ARG A 100 -17.991 6.206 14.204 1.00 0.00 C ATOM 1476 CG ARG A 100 -17.102 5.773 15.371 1.00 0.00 C ATOM 1477 CD ARG A 100 -17.583 4.423 15.909 1.00 0.00 C ATOM 1478 NE ARG A 100 -17.283 3.449 14.824 1.00 0.00 N ATOM 1479 CZ ARG A 100 -17.813 2.256 14.853 1.00 0.00 C ATOM 1480 NH1 ARG A 100 -19.035 2.095 15.283 1.00 0.00 N ATOM 1481 NH2 ARG A 100 -17.121 1.225 14.454 1.00 0.00 N ATOM 0 H ARG A 100 -16.295 7.886 13.970 1.00 0.00 H new ATOM 0 HA ARG A 100 -16.574 5.334 12.786 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -18.417 7.190 14.403 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -18.826 5.514 14.092 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -16.065 5.697 15.043 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -17.132 6.523 16.162 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -17.066 4.158 16.831 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -18.649 4.445 16.136 1.00 0.00 H new ATOM 0 HE ARG A 100 -16.664 3.713 14.058 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -19.576 2.901 15.596 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -19.449 1.163 15.306 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -16.166 1.351 14.119 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -17.535 0.293 14.477 1.00 0.00 H new TER 1495 ARG A 100 HETATM 1496 CA CA A 107 -4.773 11.628 7.101 1.00 12.07 CA