USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 931 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 82 GLN : amide:sc= 0.714 K(o=5.2,f=-5.8!) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 146:sc= 1.58 (180deg=0) USER MOD Set 1.3: A 89 HIS : no HD1:sc= 0.818 K(o=5.2,f=-2.3!) USER MOD Set 1.4: A 119 THR OG1 : rot 88:sc= 2.04 USER MOD Set 2.1: A 80 SER OG : rot -9:sc= 1.02 USER MOD Set 2.2: A 91 TYR OH : rot 9:sc= 1.24 USER MOD Set 3.1: A 64 MET CE :methyl -155:sc= 0 (180deg=-0.53) USER MOD Set 3.2: A 67 GLN :FLIP amide:sc= 0.0415 F(o=-0.42,f=0.11) USER MOD Set 3.3: A 69 CYS SG : rot 129:sc= 0.0689 USER MOD Set 4.1: A 28 HIS : no HD1:sc= 1.08 K(o=2.4,f=-5.5!) USER MOD Set 4.2: A 40 SER OG : rot -105:sc= 1.28 USER MOD Set 5.1: A 22 TYR OH : rot -133:sc= 0.811 USER MOD Set 5.2: A 102 HIS : no HE2:sc= -1.18 X(o=1.6,f=1.2) USER MOD Set 5.3: A 105 SER OG : rot -121:sc= 1.94 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 2:sc= 1.75 USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= 2.35 (180deg=2.06) USER MOD Single : A 29 SER OG : rot -170:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= 2.06 (180deg=1.04) USER MOD Single : A 47 TYR OH : rot 153:sc= 1.25 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -0.775! C(o=-0.77!,f=-3.4!) USER MOD Single : A 57 TYR OH : rot -2:sc= 0.0591 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 82:sc= 0.836 USER MOD Single : A 65 GLN : amide:sc= 0.52 K(o=0.52,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= 1.12 (180deg=0.534) USER MOD Single : A 71 CYS SG : rot 100:sc= -1.58 USER MOD Single : A 73 CYS SG : rot 154:sc= 0.897 USER MOD Single : A 81 HIS : no HE2:sc= 0.93 K(o=0.93,f=-2.8!) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00106 USER MOD Single : A 84 GLN : amide:sc= 0.34 K(o=0.34,f=-5.1!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -45:sc= 1.44 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 28:sc= 0.525 USER MOD Single : A 108 LYS NZ :NH3+ 173:sc= 0.659 (180deg=0.517) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.87) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.156 10.382 14.887 1.00 0.00 N ATOM 2 CA MET A 1 14.818 10.561 13.453 1.00 0.00 C ATOM 3 C MET A 1 13.307 10.759 13.303 1.00 0.00 C ATOM 4 O MET A 1 12.525 9.914 13.747 1.00 0.00 O ATOM 5 CB MET A 1 15.264 9.370 12.578 1.00 0.00 C ATOM 6 CG MET A 1 16.784 9.199 12.450 1.00 0.00 C ATOM 7 SD MET A 1 17.261 7.827 11.358 1.00 0.00 S ATOM 8 CE MET A 1 19.066 7.966 11.463 1.00 0.00 C ATOM 0 H1 MET A 1 16.182 10.248 14.988 1.00 0.00 H new ATOM 0 H2 MET A 1 14.863 11.225 15.421 1.00 0.00 H new ATOM 0 H3 MET A 1 14.660 9.547 15.259 1.00 0.00 H new ATOM 0 HA MET A 1 15.360 11.441 13.105 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.843 8.454 12.994 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.841 9.491 11.581 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.216 10.125 12.070 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.209 9.032 13.440 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.527 7.193 10.847 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.377 8.948 11.106 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.381 7.840 12.499 1.00 0.00 H new ATOM 20 N ALA A 2 12.882 11.862 12.675 1.00 0.00 N ATOM 21 CA ALA A 2 11.479 12.073 12.320 1.00 0.00 C ATOM 22 C ALA A 2 11.039 11.030 11.285 1.00 0.00 C ATOM 23 O ALA A 2 11.844 10.577 10.467 1.00 0.00 O ATOM 24 CB ALA A 2 11.291 13.491 11.767 1.00 0.00 C ATOM 0 H ALA A 2 13.499 12.627 12.401 1.00 0.00 H new ATOM 0 HA ALA A 2 10.861 11.960 13.211 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.244 13.643 11.504 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.584 14.219 12.524 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.911 13.621 10.880 1.00 0.00 H new ATOM 30 N VAL A 3 9.753 10.676 11.291 1.00 0.00 N ATOM 31 CA VAL A 3 9.156 9.822 10.269 1.00 0.00 C ATOM 32 C VAL A 3 9.030 10.676 8.999 1.00 0.00 C ATOM 33 O VAL A 3 8.271 11.651 8.981 1.00 0.00 O ATOM 34 CB VAL A 3 7.804 9.255 10.766 1.00 0.00 C ATOM 35 CG1 VAL A 3 7.214 8.252 9.766 1.00 0.00 C ATOM 36 CG2 VAL A 3 7.948 8.539 12.122 1.00 0.00 C ATOM 0 H VAL A 3 9.095 10.977 12.010 1.00 0.00 H new ATOM 0 HA VAL A 3 9.771 8.949 10.050 1.00 0.00 H new ATOM 0 HB VAL A 3 7.140 10.113 10.871 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.265 7.874 10.147 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.050 8.747 8.809 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.907 7.422 9.631 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.977 8.156 12.436 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.650 7.711 12.024 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.318 9.243 12.867 1.00 0.00 H new ATOM 46 N ALA A 4 9.807 10.348 7.960 1.00 0.00 N ATOM 47 CA ALA A 4 9.680 10.974 6.646 1.00 0.00 C ATOM 48 C ALA A 4 8.379 10.525 5.960 1.00 0.00 C ATOM 49 O ALA A 4 7.627 9.705 6.488 1.00 0.00 O ATOM 50 CB ALA A 4 10.919 10.662 5.792 1.00 0.00 C ATOM 0 H ALA A 4 10.540 9.641 8.010 1.00 0.00 H new ATOM 0 HA ALA A 4 9.625 12.056 6.766 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.815 11.133 4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.809 11.048 6.288 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.012 9.583 5.667 1.00 0.00 H new ATOM 56 N ASP A 5 8.122 11.033 4.756 1.00 0.00 N ATOM 57 CA ASP A 5 6.935 10.727 3.962 1.00 0.00 C ATOM 58 C ASP A 5 7.337 10.715 2.491 1.00 0.00 C ATOM 59 O ASP A 5 8.310 11.378 2.119 1.00 0.00 O ATOM 60 CB ASP A 5 5.853 11.786 4.216 1.00 0.00 C ATOM 61 CG ASP A 5 4.623 11.539 3.332 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.789 10.677 3.688 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.512 12.180 2.265 1.00 0.00 O ATOM 0 H ASP A 5 8.753 11.688 4.293 1.00 0.00 H new ATOM 0 HA ASP A 5 6.530 9.754 4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.560 11.767 5.266 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.256 12.779 4.015 1.00 0.00 H new ATOM 68 N LEU A 6 6.594 9.988 1.650 1.00 0.00 N ATOM 69 CA LEU A 6 6.851 9.868 0.219 1.00 0.00 C ATOM 70 C LEU A 6 7.022 11.225 -0.470 1.00 0.00 C ATOM 71 O LEU A 6 7.837 11.334 -1.385 1.00 0.00 O ATOM 72 CB LEU A 6 5.706 9.096 -0.461 1.00 0.00 C ATOM 73 CG LEU A 6 5.632 7.576 -0.213 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.531 6.984 -1.102 1.00 0.00 C ATOM 75 CD2 LEU A 6 6.953 6.844 -0.485 1.00 0.00 C ATOM 0 H LEU A 6 5.780 9.456 1.957 1.00 0.00 H new ATOM 0 HA LEU A 6 7.791 9.325 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.763 9.537 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.781 9.259 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 6 5.412 7.434 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.468 5.909 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.575 7.446 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.766 7.176 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.826 5.779 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.242 6.990 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.731 7.242 0.167 1.00 0.00 H new ATOM 87 N ALA A 7 6.289 12.261 -0.045 1.00 0.00 N ATOM 88 CA ALA A 7 6.363 13.586 -0.645 1.00 0.00 C ATOM 89 C ALA A 7 7.720 14.266 -0.413 1.00 0.00 C ATOM 90 O ALA A 7 8.089 15.164 -1.172 1.00 0.00 O ATOM 91 CB ALA A 7 5.235 14.465 -0.093 1.00 0.00 C ATOM 0 H ALA A 7 5.627 12.197 0.728 1.00 0.00 H new ATOM 0 HA ALA A 7 6.250 13.462 -1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.292 15.456 -0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.272 14.013 -0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.337 14.552 0.989 1.00 0.00 H new ATOM 97 N LEU A 8 8.453 13.872 0.635 1.00 0.00 N ATOM 98 CA LEU A 8 9.739 14.469 0.998 1.00 0.00 C ATOM 99 C LEU A 8 10.889 13.835 0.210 1.00 0.00 C ATOM 100 O LEU A 8 11.972 14.419 0.140 1.00 0.00 O ATOM 101 CB LEU A 8 10.006 14.315 2.508 1.00 0.00 C ATOM 102 CG LEU A 8 8.932 14.921 3.433 1.00 0.00 C ATOM 103 CD1 LEU A 8 9.347 14.729 4.896 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.694 16.415 3.171 1.00 0.00 C ATOM 0 H LEU A 8 8.164 13.120 1.261 1.00 0.00 H new ATOM 0 HA LEU A 8 9.687 15.529 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.102 13.254 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.965 14.779 2.740 1.00 0.00 H new ATOM 0 HG LEU A 8 7.999 14.399 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.587 15.158 5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.450 13.665 5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.300 15.228 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.928 16.786 3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.621 16.965 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.364 16.556 2.142 1.00 0.00 H new ATOM 116 N ILE A 9 10.685 12.637 -0.346 1.00 0.00 N ATOM 117 CA ILE A 9 11.701 11.900 -1.092 1.00 0.00 C ATOM 118 C ILE A 9 12.112 12.743 -2.320 1.00 0.00 C ATOM 119 O ILE A 9 11.226 13.309 -2.968 1.00 0.00 O ATOM 120 CB ILE A 9 11.140 10.507 -1.469 1.00 0.00 C ATOM 121 CG1 ILE A 9 10.781 9.745 -0.170 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.128 9.694 -2.325 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.326 8.298 -0.368 1.00 0.00 C ATOM 0 H ILE A 9 9.793 12.146 -0.287 1.00 0.00 H new ATOM 0 HA ILE A 9 12.597 11.730 -0.495 1.00 0.00 H new ATOM 0 HB ILE A 9 10.247 10.647 -2.078 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.651 9.749 0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.990 10.290 0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.690 8.725 -2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.340 10.234 -3.248 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.054 9.546 -1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.098 7.852 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.434 8.279 -0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.121 7.730 -0.851 1.00 0.00 H new ATOM 135 N PRO A 10 13.412 12.826 -2.675 1.00 0.00 N ATOM 136 CA PRO A 10 13.868 13.521 -3.877 1.00 0.00 C ATOM 137 C PRO A 10 13.293 12.831 -5.118 1.00 0.00 C ATOM 138 O PRO A 10 13.662 11.697 -5.441 1.00 0.00 O ATOM 139 CB PRO A 10 15.400 13.509 -3.827 1.00 0.00 C ATOM 140 CG PRO A 10 15.733 12.336 -2.905 1.00 0.00 C ATOM 141 CD PRO A 10 14.550 12.290 -1.941 1.00 0.00 C ATOM 0 HA PRO A 10 13.523 14.554 -3.927 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.830 13.371 -4.819 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.794 14.447 -3.436 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.833 11.404 -3.462 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.674 12.495 -2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.355 11.270 -1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.752 12.881 -1.048 1.00 0.00 H new ATOM 149 N ASP A 11 12.381 13.513 -5.808 1.00 0.00 N ATOM 150 CA ASP A 11 11.563 12.947 -6.883 1.00 0.00 C ATOM 151 C ASP A 11 12.362 12.673 -8.161 1.00 0.00 C ATOM 152 O ASP A 11 12.198 11.634 -8.801 1.00 0.00 O ATOM 153 CB ASP A 11 10.412 13.919 -7.164 1.00 0.00 C ATOM 154 CG ASP A 11 9.333 13.278 -8.033 1.00 0.00 C ATOM 155 OD1 ASP A 11 8.766 12.246 -7.606 1.00 0.00 O ATOM 156 OD2 ASP A 11 8.990 13.828 -9.098 1.00 0.00 O ATOM 0 H ASP A 11 12.184 14.498 -5.632 1.00 0.00 H new ATOM 0 HA ASP A 11 11.184 11.978 -6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.974 14.246 -6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.799 14.808 -7.661 1.00 0.00 H new ATOM 161 N VAL A 12 13.312 13.555 -8.477 1.00 0.00 N ATOM 162 CA VAL A 12 14.197 13.468 -9.636 1.00 0.00 C ATOM 163 C VAL A 12 15.593 13.832 -9.141 1.00 0.00 C ATOM 164 O VAL A 12 15.746 14.781 -8.368 1.00 0.00 O ATOM 165 CB VAL A 12 13.733 14.436 -10.749 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.645 14.390 -11.986 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.308 14.128 -11.219 1.00 0.00 C ATOM 0 H VAL A 12 13.492 14.382 -7.908 1.00 0.00 H new ATOM 0 HA VAL A 12 14.187 12.467 -10.067 1.00 0.00 H new ATOM 0 HB VAL A 12 13.776 15.427 -10.296 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.275 15.088 -12.737 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.660 14.668 -11.701 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.648 13.381 -12.399 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.023 14.832 -12.001 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.266 13.112 -11.612 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.620 14.221 -10.379 1.00 0.00 H new ATOM 177 N ASP A 13 16.606 13.087 -9.585 1.00 0.00 N ATOM 178 CA ASP A 13 18.001 13.442 -9.376 1.00 0.00 C ATOM 179 C ASP A 13 18.810 12.805 -10.497 1.00 0.00 C ATOM 180 O ASP A 13 18.913 11.580 -10.574 1.00 0.00 O ATOM 181 CB ASP A 13 18.511 12.987 -8.002 1.00 0.00 C ATOM 182 CG ASP A 13 19.952 13.469 -7.769 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.276 14.631 -8.100 1.00 0.00 O ATOM 184 OD2 ASP A 13 20.759 12.692 -7.216 1.00 0.00 O ATOM 0 H ASP A 13 16.476 12.217 -10.102 1.00 0.00 H new ATOM 0 HA ASP A 13 18.109 14.527 -9.393 1.00 0.00 H new ATOM 0 HB2 ASP A 13 17.861 13.378 -7.220 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.471 11.900 -7.936 1.00 0.00 H new ATOM 189 N ILE A 14 19.327 13.640 -11.394 1.00 0.00 N ATOM 190 CA ILE A 14 20.177 13.262 -12.513 1.00 0.00 C ATOM 191 C ILE A 14 21.283 14.318 -12.571 1.00 0.00 C ATOM 192 O ILE A 14 21.015 15.509 -12.381 1.00 0.00 O ATOM 193 CB ILE A 14 19.372 13.135 -13.836 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.493 14.369 -14.168 1.00 0.00 C ATOM 195 CG2 ILE A 14 18.513 11.857 -13.812 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.864 14.328 -15.568 1.00 0.00 C ATOM 0 H ILE A 14 19.155 14.645 -11.356 1.00 0.00 H new ATOM 0 HA ILE A 14 20.610 12.271 -12.376 1.00 0.00 H new ATOM 0 HB ILE A 14 20.113 13.077 -14.634 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.698 14.447 -13.426 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.101 15.270 -14.080 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.953 11.778 -14.744 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.159 10.986 -13.702 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.818 11.901 -12.974 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.265 15.225 -15.724 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.652 14.283 -16.320 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.228 13.447 -15.655 1.00 0.00 H new ATOM 208 N ASP A 15 22.531 13.889 -12.769 1.00 0.00 N ATOM 209 CA ASP A 15 23.708 14.753 -12.642 1.00 0.00 C ATOM 210 C ASP A 15 24.837 14.211 -13.518 1.00 0.00 C ATOM 211 O ASP A 15 25.876 13.755 -13.037 1.00 0.00 O ATOM 212 CB ASP A 15 24.129 14.900 -11.169 1.00 0.00 C ATOM 213 CG ASP A 15 25.361 15.811 -11.007 1.00 0.00 C ATOM 214 OD1 ASP A 15 25.454 16.854 -11.695 1.00 0.00 O ATOM 215 OD2 ASP A 15 26.223 15.523 -10.146 1.00 0.00 O ATOM 0 H ASP A 15 22.756 12.927 -13.023 1.00 0.00 H new ATOM 0 HA ASP A 15 23.461 15.755 -12.993 1.00 0.00 H new ATOM 0 HB2 ASP A 15 23.298 15.309 -10.594 1.00 0.00 H new ATOM 0 HB3 ASP A 15 24.349 13.916 -10.755 1.00 0.00 H new ATOM 220 N SER A 16 24.584 14.151 -14.824 1.00 0.00 N ATOM 221 CA SER A 16 25.515 13.705 -15.855 1.00 0.00 C ATOM 222 C SER A 16 25.091 14.318 -17.199 1.00 0.00 C ATOM 223 O SER A 16 24.067 15.005 -17.280 1.00 0.00 O ATOM 224 CB SER A 16 25.518 12.172 -15.891 1.00 0.00 C ATOM 225 OG SER A 16 26.129 11.673 -14.716 1.00 0.00 O ATOM 0 H SER A 16 23.680 14.426 -15.209 1.00 0.00 H new ATOM 0 HA SER A 16 26.532 14.034 -15.642 1.00 0.00 H new ATOM 0 HB2 SER A 16 24.497 11.798 -15.970 1.00 0.00 H new ATOM 0 HB3 SER A 16 26.056 11.819 -16.771 1.00 0.00 H new ATOM 0 HG SER A 16 26.389 12.421 -14.139 1.00 0.00 H new ATOM 231 N ASP A 17 25.891 14.105 -18.246 1.00 0.00 N ATOM 232 CA ASP A 17 25.720 14.701 -19.572 1.00 0.00 C ATOM 233 C ASP A 17 26.354 13.774 -20.620 1.00 0.00 C ATOM 234 O ASP A 17 27.079 12.840 -20.266 1.00 0.00 O ATOM 235 CB ASP A 17 26.385 16.091 -19.585 1.00 0.00 C ATOM 236 CG ASP A 17 26.241 16.830 -20.927 1.00 0.00 C ATOM 237 OD1 ASP A 17 25.181 16.709 -21.581 1.00 0.00 O ATOM 238 OD2 ASP A 17 27.190 17.540 -21.329 1.00 0.00 O ATOM 0 H ASP A 17 26.704 13.491 -18.192 1.00 0.00 H new ATOM 0 HA ASP A 17 24.663 14.820 -19.809 1.00 0.00 H new ATOM 0 HB2 ASP A 17 25.948 16.701 -18.795 1.00 0.00 H new ATOM 0 HB3 ASP A 17 27.444 15.980 -19.353 1.00 0.00 H new ATOM 243 N GLY A 18 26.087 14.020 -21.903 1.00 0.00 N ATOM 244 CA GLY A 18 26.634 13.271 -23.025 1.00 0.00 C ATOM 245 C GLY A 18 25.799 12.021 -23.254 1.00 0.00 C ATOM 246 O GLY A 18 24.862 12.058 -24.055 1.00 0.00 O ATOM 0 H GLY A 18 25.463 14.772 -22.195 1.00 0.00 H new ATOM 0 HA2 GLY A 18 26.636 13.889 -23.923 1.00 0.00 H new ATOM 0 HA3 GLY A 18 27.670 12.998 -22.824 1.00 0.00 H new ATOM 250 N VAL A 19 26.100 10.950 -22.522 1.00 0.00 N ATOM 251 CA VAL A 19 25.341 9.704 -22.469 1.00 0.00 C ATOM 252 C VAL A 19 25.535 9.173 -21.046 1.00 0.00 C ATOM 253 O VAL A 19 26.665 9.168 -20.546 1.00 0.00 O ATOM 254 CB VAL A 19 25.855 8.674 -23.511 1.00 0.00 C ATOM 255 CG1 VAL A 19 25.037 7.368 -23.469 1.00 0.00 C ATOM 256 CG2 VAL A 19 25.841 9.201 -24.956 1.00 0.00 C ATOM 0 H VAL A 19 26.922 10.928 -21.919 1.00 0.00 H new ATOM 0 HA VAL A 19 24.291 9.872 -22.707 1.00 0.00 H new ATOM 0 HB VAL A 19 26.890 8.485 -23.225 1.00 0.00 H new ATOM 0 HG11 VAL A 19 25.426 6.671 -24.212 1.00 0.00 H new ATOM 0 HG12 VAL A 19 25.114 6.922 -22.477 1.00 0.00 H new ATOM 0 HG13 VAL A 19 23.992 7.586 -23.688 1.00 0.00 H new ATOM 0 HG21 VAL A 19 26.213 8.428 -25.629 1.00 0.00 H new ATOM 0 HG22 VAL A 19 24.822 9.467 -25.237 1.00 0.00 H new ATOM 0 HG23 VAL A 19 26.478 10.082 -25.028 1.00 0.00 H new ATOM 266 N PHE A 20 24.464 8.717 -20.393 1.00 0.00 N ATOM 267 CA PHE A 20 24.528 8.018 -19.112 1.00 0.00 C ATOM 268 C PHE A 20 23.283 7.148 -18.953 1.00 0.00 C ATOM 269 O PHE A 20 22.283 7.356 -19.643 1.00 0.00 O ATOM 270 CB PHE A 20 24.667 9.009 -17.946 1.00 0.00 C ATOM 271 CG PHE A 20 23.571 10.053 -17.820 1.00 0.00 C ATOM 272 CD1 PHE A 20 23.628 11.239 -18.580 1.00 0.00 C ATOM 273 CD2 PHE A 20 22.524 9.869 -16.896 1.00 0.00 C ATOM 274 CE1 PHE A 20 22.655 12.238 -18.402 1.00 0.00 C ATOM 275 CE2 PHE A 20 21.563 10.877 -16.706 1.00 0.00 C ATOM 276 CZ PHE A 20 21.633 12.064 -17.453 1.00 0.00 C ATOM 0 H PHE A 20 23.514 8.826 -20.747 1.00 0.00 H new ATOM 0 HA PHE A 20 25.412 7.381 -19.096 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.708 8.441 -17.017 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.622 9.525 -18.047 1.00 0.00 H new ATOM 0 HD1 PHE A 20 24.420 11.380 -19.300 1.00 0.00 H new ATOM 0 HD2 PHE A 20 22.459 8.950 -16.332 1.00 0.00 H new ATOM 0 HE1 PHE A 20 22.693 13.140 -18.995 1.00 0.00 H new ATOM 0 HE2 PHE A 20 20.771 10.739 -15.985 1.00 0.00 H new ATOM 0 HZ PHE A 20 20.901 12.843 -17.298 1.00 0.00 H new ATOM 286 N LYS A 21 23.338 6.149 -18.070 1.00 0.00 N ATOM 287 CA LYS A 21 22.237 5.204 -17.885 1.00 0.00 C ATOM 288 C LYS A 21 21.356 5.683 -16.735 1.00 0.00 C ATOM 289 O LYS A 21 21.787 6.480 -15.897 1.00 0.00 O ATOM 290 CB LYS A 21 22.778 3.782 -17.615 1.00 0.00 C ATOM 291 CG LYS A 21 23.313 3.009 -18.836 1.00 0.00 C ATOM 292 CD LYS A 21 24.445 3.708 -19.609 1.00 0.00 C ATOM 293 CE LYS A 21 25.115 2.783 -20.637 1.00 0.00 C ATOM 294 NZ LYS A 21 26.167 1.926 -20.038 1.00 0.00 N ATOM 0 H LYS A 21 24.142 5.973 -17.467 1.00 0.00 H new ATOM 0 HA LYS A 21 21.640 5.159 -18.796 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.579 3.855 -16.879 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.981 3.194 -17.161 1.00 0.00 H new ATOM 0 HG2 LYS A 21 23.671 2.035 -18.501 1.00 0.00 H new ATOM 0 HG3 LYS A 21 22.485 2.826 -19.521 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.045 4.584 -20.120 1.00 0.00 H new ATOM 0 HD3 LYS A 21 25.195 4.066 -18.904 1.00 0.00 H new ATOM 0 HE2 LYS A 21 24.357 2.151 -21.099 1.00 0.00 H new ATOM 0 HE3 LYS A 21 25.553 3.387 -21.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 26.466 1.209 -20.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 26.983 2.513 -19.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 25.790 1.454 -19.191 1.00 0.00 H new ATOM 308 N TYR A 22 20.122 5.186 -16.693 1.00 0.00 N ATOM 309 CA TYR A 22 19.102 5.598 -15.740 1.00 0.00 C ATOM 310 C TYR A 22 18.274 4.374 -15.324 1.00 0.00 C ATOM 311 O TYR A 22 18.330 3.319 -15.972 1.00 0.00 O ATOM 312 CB TYR A 22 18.268 6.744 -16.359 1.00 0.00 C ATOM 313 CG TYR A 22 16.776 6.501 -16.453 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.303 5.489 -17.302 1.00 0.00 C ATOM 315 CD2 TYR A 22 15.875 7.226 -15.652 1.00 0.00 C ATOM 316 CE1 TYR A 22 14.940 5.178 -17.341 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.497 6.957 -15.729 1.00 0.00 C ATOM 318 CZ TYR A 22 14.024 5.944 -16.592 1.00 0.00 C ATOM 319 OH TYR A 22 12.689 5.744 -16.758 1.00 0.00 O ATOM 0 H TYR A 22 19.798 4.466 -17.339 1.00 0.00 H new ATOM 0 HA TYR A 22 19.543 5.994 -14.825 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.433 7.646 -15.770 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.648 6.943 -17.361 1.00 0.00 H new ATOM 0 HD1 TYR A 22 16.995 4.947 -17.929 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.241 7.988 -14.979 1.00 0.00 H new ATOM 0 HE1 TYR A 22 14.590 4.353 -17.944 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.801 7.524 -15.129 1.00 0.00 H new ATOM 0 HH TYR A 22 12.239 6.608 -16.861 1.00 0.00 H new ATOM 329 N VAL A 23 17.487 4.524 -14.259 1.00 0.00 N ATOM 330 CA VAL A 23 16.537 3.528 -13.788 1.00 0.00 C ATOM 331 C VAL A 23 15.324 4.272 -13.211 1.00 0.00 C ATOM 332 O VAL A 23 15.438 5.428 -12.782 1.00 0.00 O ATOM 333 CB VAL A 23 17.248 2.581 -12.790 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.543 3.247 -11.439 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.486 1.271 -12.562 1.00 0.00 C ATOM 0 H VAL A 23 17.496 5.368 -13.686 1.00 0.00 H new ATOM 0 HA VAL A 23 16.167 2.887 -14.588 1.00 0.00 H new ATOM 0 HB VAL A 23 18.198 2.344 -13.268 1.00 0.00 H new ATOM 0 HG11 VAL A 23 18.042 2.534 -10.783 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.189 4.111 -11.593 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.608 3.570 -10.981 1.00 0.00 H new ATOM 0 HG21 VAL A 23 17.034 0.650 -11.854 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.496 1.491 -12.162 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.385 0.739 -13.508 1.00 0.00 H new ATOM 345 N LEU A 24 14.174 3.598 -13.169 1.00 0.00 N ATOM 346 CA LEU A 24 12.932 4.119 -12.615 1.00 0.00 C ATOM 347 C LEU A 24 12.553 3.179 -11.488 1.00 0.00 C ATOM 348 O LEU A 24 12.309 2.000 -11.761 1.00 0.00 O ATOM 349 CB LEU A 24 11.861 4.135 -13.719 1.00 0.00 C ATOM 350 CG LEU A 24 10.532 4.831 -13.361 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.719 6.336 -13.151 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.532 4.619 -14.503 1.00 0.00 C ATOM 0 H LEU A 24 14.082 2.649 -13.530 1.00 0.00 H new ATOM 0 HA LEU A 24 13.030 5.138 -12.241 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.280 4.626 -14.597 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.644 3.105 -14.002 1.00 0.00 H new ATOM 0 HG LEU A 24 10.165 4.396 -12.431 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.760 6.790 -12.901 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.424 6.505 -12.337 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.106 6.786 -14.066 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.590 5.108 -14.257 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.933 5.046 -15.422 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.361 3.552 -14.643 1.00 0.00 H new ATOM 364 N ILE A 25 12.534 3.653 -10.240 1.00 0.00 N ATOM 365 CA ILE A 25 12.268 2.782 -9.098 1.00 0.00 C ATOM 366 C ILE A 25 10.984 3.233 -8.412 1.00 0.00 C ATOM 367 O ILE A 25 10.801 4.419 -8.138 1.00 0.00 O ATOM 368 CB ILE A 25 13.499 2.569 -8.162 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.372 3.175 -6.747 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.858 2.970 -8.776 1.00 0.00 C ATOM 371 CD1 ILE A 25 14.414 2.645 -5.757 1.00 0.00 C ATOM 0 H ILE A 25 12.699 4.630 -9.998 1.00 0.00 H new ATOM 0 HA ILE A 25 12.096 1.768 -9.458 1.00 0.00 H new ATOM 0 HB ILE A 25 13.486 1.485 -8.051 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.466 4.259 -6.815 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.375 2.965 -6.359 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.652 2.786 -8.053 1.00 0.00 H new ATOM 0 HG22 ILE A 25 15.041 2.379 -9.673 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.842 4.028 -9.036 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.264 3.114 -4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.306 1.565 -5.659 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.414 2.878 -6.122 1.00 0.00 H new ATOM 383 N ARG A 26 10.085 2.279 -8.175 1.00 0.00 N ATOM 384 CA ARG A 26 8.908 2.453 -7.343 1.00 0.00 C ATOM 385 C ARG A 26 9.374 2.407 -5.897 1.00 0.00 C ATOM 386 O ARG A 26 10.296 1.658 -5.576 1.00 0.00 O ATOM 387 CB ARG A 26 7.907 1.329 -7.642 1.00 0.00 C ATOM 388 CG ARG A 26 6.617 1.432 -6.803 1.00 0.00 C ATOM 389 CD ARG A 26 5.429 0.736 -7.478 1.00 0.00 C ATOM 390 NE ARG A 26 4.969 1.525 -8.630 1.00 0.00 N ATOM 391 CZ ARG A 26 4.107 1.169 -9.585 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.527 -0.029 -9.564 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.839 2.029 -10.561 1.00 0.00 N ATOM 0 H ARG A 26 10.162 1.341 -8.569 1.00 0.00 H new ATOM 0 HA ARG A 26 8.408 3.401 -7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.648 1.353 -8.701 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.382 0.367 -7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.787 0.987 -5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.375 2.482 -6.639 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.720 -0.263 -7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.615 0.613 -6.763 1.00 0.00 H new ATOM 0 HE ARG A 26 5.358 2.464 -8.710 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.740 -0.686 -8.813 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.870 -0.290 -10.299 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.289 2.944 -10.572 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.183 1.774 -11.299 1.00 0.00 H new ATOM 407 N VAL A 27 8.701 3.148 -5.033 1.00 0.00 N ATOM 408 CA VAL A 27 8.956 3.278 -3.612 1.00 0.00 C ATOM 409 C VAL A 27 7.580 3.165 -2.952 1.00 0.00 C ATOM 410 O VAL A 27 6.604 3.681 -3.503 1.00 0.00 O ATOM 411 CB VAL A 27 9.603 4.657 -3.338 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.052 4.787 -1.879 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.808 4.974 -4.242 1.00 0.00 C ATOM 0 H VAL A 27 7.906 3.714 -5.329 1.00 0.00 H new ATOM 0 HA VAL A 27 9.639 2.522 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 27 8.815 5.376 -3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.502 5.768 -1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.190 4.674 -1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.784 4.012 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.205 5.957 -3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.582 4.221 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.492 4.969 -5.285 1.00 0.00 H new ATOM 423 N HIS A 28 7.494 2.520 -1.789 1.00 0.00 N ATOM 424 CA HIS A 28 6.255 2.332 -1.034 1.00 0.00 C ATOM 425 C HIS A 28 6.378 3.067 0.304 1.00 0.00 C ATOM 426 O HIS A 28 7.482 3.161 0.852 1.00 0.00 O ATOM 427 CB HIS A 28 6.031 0.830 -0.806 1.00 0.00 C ATOM 428 CG HIS A 28 6.023 0.008 -2.075 1.00 0.00 C ATOM 429 ND1 HIS A 28 5.064 0.031 -3.061 1.00 0.00 N ATOM 430 CD2 HIS A 28 6.970 -0.901 -2.464 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.418 -0.848 -4.013 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.582 -1.443 -3.697 1.00 0.00 N ATOM 0 H HIS A 28 8.306 2.103 -1.334 1.00 0.00 H new ATOM 0 HA HIS A 28 5.405 2.734 -1.585 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.813 0.453 -0.146 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.082 0.689 -0.289 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.864 -1.157 -1.914 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.847 -1.049 -4.908 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.081 -2.145 -4.243 1.00 0.00 H new ATOM 440 N SER A 29 5.266 3.580 0.844 1.00 0.00 N ATOM 441 CA SER A 29 5.228 4.257 2.135 1.00 0.00 C ATOM 442 C SER A 29 5.657 3.302 3.261 1.00 0.00 C ATOM 443 O SER A 29 4.867 2.466 3.706 1.00 0.00 O ATOM 444 CB SER A 29 3.818 4.791 2.429 1.00 0.00 C ATOM 445 OG SER A 29 3.245 5.500 1.352 1.00 0.00 O ATOM 0 H SER A 29 4.356 3.533 0.385 1.00 0.00 H new ATOM 0 HA SER A 29 5.924 5.095 2.091 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.169 3.955 2.688 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.861 5.444 3.301 1.00 0.00 H new ATOM 0 HG SER A 29 2.425 5.944 1.652 1.00 0.00 H new ATOM 451 N ALA A 30 6.904 3.421 3.724 1.00 0.00 N ATOM 452 CA ALA A 30 7.406 2.756 4.922 1.00 0.00 C ATOM 453 C ALA A 30 8.565 3.481 5.656 1.00 0.00 C ATOM 454 O ALA A 30 9.185 2.811 6.484 1.00 0.00 O ATOM 455 CB ALA A 30 7.768 1.295 4.581 1.00 0.00 C ATOM 0 H ALA A 30 7.607 3.998 3.262 1.00 0.00 H new ATOM 0 HA ALA A 30 6.593 2.786 5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.143 0.795 5.474 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.881 0.775 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.536 1.281 3.808 1.00 0.00 H new ATOM 461 N PRO A 31 8.919 4.779 5.441 1.00 0.00 N ATOM 462 CA PRO A 31 9.906 5.448 6.292 1.00 0.00 C ATOM 463 C PRO A 31 9.742 5.163 7.791 1.00 0.00 C ATOM 464 O PRO A 31 8.627 5.150 8.325 1.00 0.00 O ATOM 465 CB PRO A 31 9.795 6.941 5.998 1.00 0.00 C ATOM 466 CG PRO A 31 9.383 6.965 4.532 1.00 0.00 C ATOM 467 CD PRO A 31 8.474 5.736 4.424 1.00 0.00 C ATOM 0 HA PRO A 31 10.896 5.058 6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.054 7.425 6.635 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.741 7.457 6.161 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.856 7.884 4.273 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.244 6.893 3.867 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.432 6.012 4.585 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.537 5.297 3.428 1.00 0.00 H new ATOM 475 N ARG A 32 10.876 4.927 8.458 1.00 0.00 N ATOM 476 CA ARG A 32 11.017 4.556 9.869 1.00 0.00 C ATOM 477 C ARG A 32 10.049 3.452 10.323 1.00 0.00 C ATOM 478 O ARG A 32 9.731 3.370 11.510 1.00 0.00 O ATOM 479 CB ARG A 32 10.964 5.827 10.743 1.00 0.00 C ATOM 480 CG ARG A 32 11.973 6.937 10.379 1.00 0.00 C ATOM 481 CD ARG A 32 13.439 6.643 10.734 1.00 0.00 C ATOM 482 NE ARG A 32 14.079 5.630 9.868 1.00 0.00 N ATOM 483 CZ ARG A 32 14.749 4.541 10.274 1.00 0.00 C ATOM 484 NH1 ARG A 32 14.727 4.159 11.549 1.00 0.00 N ATOM 485 NH2 ARG A 32 15.433 3.822 9.394 1.00 0.00 N ATOM 0 H ARG A 32 11.782 4.995 7.994 1.00 0.00 H new ATOM 0 HA ARG A 32 11.996 4.095 9.999 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.958 6.243 10.684 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.130 5.538 11.781 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.908 7.125 9.307 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.673 7.856 10.883 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.009 7.570 10.673 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.490 6.305 11.769 1.00 0.00 H new ATOM 0 HE ARG A 32 14.004 5.773 8.861 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.195 4.697 12.233 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.242 3.328 11.842 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.448 4.098 8.412 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.944 2.993 9.699 1.00 0.00 H new ATOM 499 N SER A 33 9.588 2.601 9.398 1.00 0.00 N ATOM 500 CA SER A 33 8.610 1.544 9.640 1.00 0.00 C ATOM 501 C SER A 33 7.349 2.065 10.360 1.00 0.00 C ATOM 502 O SER A 33 6.739 1.340 11.150 1.00 0.00 O ATOM 503 CB SER A 33 9.293 0.366 10.358 1.00 0.00 C ATOM 504 OG SER A 33 10.496 -0.010 9.698 1.00 0.00 O ATOM 0 H SER A 33 9.900 2.634 8.427 1.00 0.00 H new ATOM 0 HA SER A 33 8.241 1.175 8.683 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.512 0.643 11.389 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.613 -0.485 10.394 1.00 0.00 H new ATOM 0 HG SER A 33 10.911 -0.759 10.175 1.00 0.00 H new ATOM 510 N GLY A 34 6.961 3.324 10.110 1.00 0.00 N ATOM 511 CA GLY A 34 5.886 3.999 10.832 1.00 0.00 C ATOM 512 C GLY A 34 5.124 4.998 9.964 1.00 0.00 C ATOM 513 O GLY A 34 4.489 5.908 10.501 1.00 0.00 O ATOM 0 H GLY A 34 7.393 3.904 9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.190 3.254 11.217 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.304 4.519 11.694 1.00 0.00 H new ATOM 517 N ALA A 35 5.197 4.854 8.634 1.00 0.00 N ATOM 518 CA ALA A 35 4.461 5.696 7.696 1.00 0.00 C ATOM 519 C ALA A 35 2.942 5.592 7.948 1.00 0.00 C ATOM 520 O ALA A 35 2.465 4.523 8.342 1.00 0.00 O ATOM 521 CB ALA A 35 4.811 5.279 6.263 1.00 0.00 C ATOM 0 H ALA A 35 5.773 4.144 8.181 1.00 0.00 H new ATOM 0 HA ALA A 35 4.747 6.738 7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.264 5.905 5.558 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.882 5.400 6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.536 4.235 6.110 1.00 0.00 H new ATOM 527 N PRO A 36 2.163 6.659 7.692 1.00 0.00 N ATOM 528 CA PRO A 36 0.730 6.699 7.989 1.00 0.00 C ATOM 529 C PRO A 36 -0.139 5.920 6.987 1.00 0.00 C ATOM 530 O PRO A 36 -1.353 5.825 7.185 1.00 0.00 O ATOM 531 CB PRO A 36 0.374 8.191 7.992 1.00 0.00 C ATOM 532 CG PRO A 36 1.350 8.784 6.977 1.00 0.00 C ATOM 533 CD PRO A 36 2.615 7.961 7.214 1.00 0.00 C ATOM 0 HA PRO A 36 0.527 6.209 8.941 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.663 8.358 7.699 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.502 8.634 8.980 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.985 8.681 5.955 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.519 9.847 7.150 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.193 7.860 6.295 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.262 8.443 7.947 1.00 0.00 H new ATOM 541 N ALA A 37 0.445 5.394 5.907 1.00 0.00 N ATOM 542 CA ALA A 37 -0.260 4.787 4.783 1.00 0.00 C ATOM 543 C ALA A 37 0.646 3.743 4.114 1.00 0.00 C ATOM 544 O ALA A 37 1.754 3.487 4.592 1.00 0.00 O ATOM 545 CB ALA A 37 -0.646 5.906 3.805 1.00 0.00 C ATOM 0 H ALA A 37 1.458 5.380 5.791 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.164 4.276 5.115 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.176 5.478 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.292 6.624 4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.255 6.411 3.456 1.00 0.00 H new ATOM 551 N ALA A 38 0.184 3.173 2.997 1.00 0.00 N ATOM 552 CA ALA A 38 0.918 2.245 2.138 1.00 0.00 C ATOM 553 C ALA A 38 0.668 2.628 0.676 1.00 0.00 C ATOM 554 O ALA A 38 0.255 1.802 -0.143 1.00 0.00 O ATOM 555 CB ALA A 38 0.547 0.794 2.463 1.00 0.00 C ATOM 0 H ALA A 38 -0.758 3.357 2.652 1.00 0.00 H new ATOM 0 HA ALA A 38 1.990 2.318 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.105 0.121 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.793 0.580 3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.522 0.648 2.306 1.00 0.00 H new ATOM 561 N GLU A 39 0.845 3.914 0.374 1.00 0.00 N ATOM 562 CA GLU A 39 0.837 4.408 -0.995 1.00 0.00 C ATOM 563 C GLU A 39 2.164 4.034 -1.676 1.00 0.00 C ATOM 564 O GLU A 39 3.063 3.462 -1.047 1.00 0.00 O ATOM 565 CB GLU A 39 0.591 5.928 -1.009 1.00 0.00 C ATOM 566 CG GLU A 39 -0.800 6.299 -0.471 1.00 0.00 C ATOM 567 CD GLU A 39 -1.083 7.804 -0.625 1.00 0.00 C ATOM 568 OE1 GLU A 39 -1.609 8.223 -1.682 1.00 0.00 O ATOM 569 OE2 GLU A 39 -0.807 8.584 0.314 1.00 0.00 O ATOM 0 H GLU A 39 0.998 4.640 1.074 1.00 0.00 H new ATOM 0 HA GLU A 39 0.025 3.944 -1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.354 6.423 -0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.695 6.301 -2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.561 5.729 -1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.870 6.020 0.580 1.00 0.00 H new ATOM 576 N SER A 40 2.298 4.366 -2.964 1.00 0.00 N ATOM 577 CA SER A 40 3.522 4.157 -3.729 1.00 0.00 C ATOM 578 C SER A 40 3.732 5.311 -4.714 1.00 0.00 C ATOM 579 O SER A 40 2.772 5.987 -5.098 1.00 0.00 O ATOM 580 CB SER A 40 3.479 2.822 -4.487 1.00 0.00 C ATOM 581 OG SER A 40 2.927 1.765 -3.717 1.00 0.00 O ATOM 0 H SER A 40 1.548 4.793 -3.507 1.00 0.00 H new ATOM 0 HA SER A 40 4.357 4.126 -3.029 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.892 2.946 -5.397 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.490 2.552 -4.793 1.00 0.00 H new ATOM 0 HG SER A 40 3.645 1.171 -3.414 1.00 0.00 H new ATOM 587 N LYS A 41 4.982 5.531 -5.130 1.00 0.00 N ATOM 588 CA LYS A 41 5.390 6.555 -6.096 1.00 0.00 C ATOM 589 C LYS A 41 6.673 6.109 -6.785 1.00 0.00 C ATOM 590 O LYS A 41 7.372 5.247 -6.256 1.00 0.00 O ATOM 591 CB LYS A 41 5.555 7.924 -5.401 1.00 0.00 C ATOM 592 CG LYS A 41 6.547 7.985 -4.218 1.00 0.00 C ATOM 593 CD LYS A 41 8.045 8.198 -4.505 1.00 0.00 C ATOM 594 CE LYS A 41 8.451 9.669 -4.699 1.00 0.00 C ATOM 595 NZ LYS A 41 7.982 10.229 -5.989 1.00 0.00 N ATOM 0 H LYS A 41 5.769 4.979 -4.790 1.00 0.00 H new ATOM 0 HA LYS A 41 4.616 6.676 -6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.873 8.650 -6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.577 8.244 -5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.222 8.789 -3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.449 7.054 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.624 7.779 -3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.314 7.638 -5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.045 10.264 -3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.537 9.752 -4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.521 11.091 -6.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.125 9.528 -6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.971 10.462 -5.919 1.00 0.00 H new ATOM 609 N GLU A 42 7.038 6.751 -7.893 1.00 0.00 N ATOM 610 CA GLU A 42 8.256 6.434 -8.637 1.00 0.00 C ATOM 611 C GLU A 42 9.258 7.564 -8.420 1.00 0.00 C ATOM 612 O GLU A 42 8.851 8.702 -8.167 1.00 0.00 O ATOM 613 CB GLU A 42 7.949 6.309 -10.142 1.00 0.00 C ATOM 614 CG GLU A 42 7.524 4.909 -10.594 1.00 0.00 C ATOM 615 CD GLU A 42 6.140 4.481 -10.085 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.037 4.033 -8.926 1.00 0.00 O ATOM 617 OE2 GLU A 42 5.158 4.488 -10.859 1.00 0.00 O ATOM 0 H GLU A 42 6.494 7.510 -8.303 1.00 0.00 H new ATOM 0 HA GLU A 42 8.662 5.486 -8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.158 7.014 -10.397 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.834 6.605 -10.705 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.526 4.874 -11.683 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.265 4.187 -10.251 1.00 0.00 H new ATOM 624 N ILE A 43 10.552 7.271 -8.560 1.00 0.00 N ATOM 625 CA ILE A 43 11.627 8.256 -8.571 1.00 0.00 C ATOM 626 C ILE A 43 12.563 7.964 -9.743 1.00 0.00 C ATOM 627 O ILE A 43 12.712 6.811 -10.164 1.00 0.00 O ATOM 628 CB ILE A 43 12.381 8.298 -7.218 1.00 0.00 C ATOM 629 CG1 ILE A 43 13.002 6.941 -6.820 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.433 8.807 -6.126 1.00 0.00 C ATOM 631 CD1 ILE A 43 13.837 6.971 -5.530 1.00 0.00 C ATOM 0 H ILE A 43 10.887 6.314 -8.672 1.00 0.00 H new ATOM 0 HA ILE A 43 11.199 9.249 -8.706 1.00 0.00 H new ATOM 0 HB ILE A 43 13.221 8.983 -7.334 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.201 6.211 -6.701 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.633 6.592 -7.637 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.960 8.838 -5.172 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.087 9.808 -6.382 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.577 8.137 -6.046 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.233 5.975 -5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.663 7.673 -5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.209 7.286 -4.697 1.00 0.00 H new ATOM 643 N VAL A 44 13.198 9.020 -10.250 1.00 0.00 N ATOM 644 CA VAL A 44 13.978 9.014 -11.486 1.00 0.00 C ATOM 645 C VAL A 44 15.433 9.241 -11.085 1.00 0.00 C ATOM 646 O VAL A 44 15.733 10.262 -10.452 1.00 0.00 O ATOM 647 CB VAL A 44 13.435 10.138 -12.400 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.290 10.390 -13.650 1.00 0.00 C ATOM 649 CG2 VAL A 44 11.991 9.854 -12.847 1.00 0.00 C ATOM 0 H VAL A 44 13.183 9.933 -9.796 1.00 0.00 H new ATOM 0 HA VAL A 44 13.905 8.077 -12.038 1.00 0.00 H new ATOM 0 HB VAL A 44 13.472 11.035 -11.782 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.845 11.191 -14.240 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.298 10.677 -13.350 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.335 9.481 -14.249 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.642 10.664 -13.487 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.959 8.915 -13.400 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.347 9.781 -11.971 1.00 0.00 H new ATOM 659 N ARG A 45 16.324 8.300 -11.419 1.00 0.00 N ATOM 660 CA ARG A 45 17.751 8.326 -11.077 1.00 0.00 C ATOM 661 C ARG A 45 18.540 8.030 -12.344 1.00 0.00 C ATOM 662 O ARG A 45 18.099 7.212 -13.152 1.00 0.00 O ATOM 663 CB ARG A 45 18.088 7.221 -10.053 1.00 0.00 C ATOM 664 CG ARG A 45 17.337 7.243 -8.714 1.00 0.00 C ATOM 665 CD ARG A 45 17.748 8.396 -7.783 1.00 0.00 C ATOM 666 NE ARG A 45 16.917 9.574 -8.034 1.00 0.00 N ATOM 667 CZ ARG A 45 16.050 10.136 -7.191 1.00 0.00 C ATOM 668 NH1 ARG A 45 16.093 9.941 -5.877 1.00 0.00 N ATOM 669 NH2 ARG A 45 15.095 10.893 -7.694 1.00 0.00 N ATOM 0 H ARG A 45 16.062 7.471 -11.953 1.00 0.00 H new ATOM 0 HA ARG A 45 17.998 9.300 -10.655 1.00 0.00 H new ATOM 0 HB2 ARG A 45 17.904 6.256 -10.526 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.156 7.273 -9.841 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.267 7.313 -8.911 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.505 6.297 -8.199 1.00 0.00 H new ATOM 0 HD2 ARG A 45 17.646 8.086 -6.743 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.798 8.643 -7.941 1.00 0.00 H new ATOM 0 HE ARG A 45 17.011 10.011 -8.951 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.811 9.340 -5.474 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.408 10.393 -5.272 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.035 11.035 -8.702 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.417 11.337 -7.075 1.00 0.00 H new ATOM 683 N GLY A 46 19.731 8.603 -12.493 1.00 0.00 N ATOM 684 CA GLY A 46 20.639 8.246 -13.570 1.00 0.00 C ATOM 685 C GLY A 46 21.901 9.084 -13.502 1.00 0.00 C ATOM 686 O GLY A 46 21.820 10.305 -13.339 1.00 0.00 O ATOM 0 H GLY A 46 20.090 9.326 -11.870 1.00 0.00 H new ATOM 0 HA2 GLY A 46 20.894 7.188 -13.503 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.148 8.395 -14.532 1.00 0.00 H new ATOM 690 N TYR A 47 23.058 8.430 -13.618 1.00 0.00 N ATOM 691 CA TYR A 47 24.365 9.064 -13.488 1.00 0.00 C ATOM 692 C TYR A 47 25.386 8.217 -14.239 1.00 0.00 C ATOM 693 O TYR A 47 25.248 6.993 -14.305 1.00 0.00 O ATOM 694 CB TYR A 47 24.811 9.148 -12.015 1.00 0.00 C ATOM 695 CG TYR A 47 23.736 9.483 -10.999 1.00 0.00 C ATOM 696 CD1 TYR A 47 22.934 8.443 -10.492 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.548 10.800 -10.544 1.00 0.00 C ATOM 698 CE1 TYR A 47 21.954 8.709 -9.525 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.572 11.076 -9.567 1.00 0.00 C ATOM 700 CZ TYR A 47 21.779 10.025 -9.045 1.00 0.00 C ATOM 701 OH TYR A 47 20.874 10.244 -8.056 1.00 0.00 O ATOM 0 H TYR A 47 23.111 7.429 -13.808 1.00 0.00 H new ATOM 0 HA TYR A 47 24.297 10.074 -13.892 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.255 8.192 -11.738 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.597 9.899 -11.939 1.00 0.00 H new ATOM 0 HD1 TYR A 47 23.074 7.434 -10.850 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.153 11.601 -10.944 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.334 7.909 -9.148 1.00 0.00 H new ATOM 0 HE2 TYR A 47 22.428 12.087 -9.216 1.00 0.00 H new ATOM 0 HH TYR A 47 21.139 11.033 -7.539 1.00 0.00 H new ATOM 711 N LYS A 48 26.448 8.843 -14.747 1.00 0.00 N ATOM 712 CA LYS A 48 27.514 8.159 -15.473 1.00 0.00 C ATOM 713 C LYS A 48 28.241 7.119 -14.616 1.00 0.00 C ATOM 714 O LYS A 48 28.748 6.146 -15.173 1.00 0.00 O ATOM 715 CB LYS A 48 28.480 9.189 -16.086 1.00 0.00 C ATOM 716 CG LYS A 48 29.264 10.016 -15.051 1.00 0.00 C ATOM 717 CD LYS A 48 30.091 11.112 -15.736 1.00 0.00 C ATOM 718 CE LYS A 48 30.855 11.928 -14.683 1.00 0.00 C ATOM 719 NZ LYS A 48 31.684 12.998 -15.293 1.00 0.00 N ATOM 0 H LYS A 48 26.592 9.849 -14.664 1.00 0.00 H new ATOM 0 HA LYS A 48 27.056 7.594 -16.285 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.189 8.667 -16.729 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.913 9.868 -16.722 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.571 10.468 -14.341 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.923 9.361 -14.481 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.792 10.664 -16.440 1.00 0.00 H new ATOM 0 HD3 LYS A 48 29.437 11.767 -16.311 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.145 12.374 -13.987 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.494 11.262 -14.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 32.181 13.522 -14.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 32.380 12.573 -15.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 31.073 13.650 -15.825 1.00 0.00 H new ATOM 733 N TRP A 49 28.299 7.293 -13.285 1.00 0.00 N ATOM 734 CA TRP A 49 28.965 6.324 -12.418 1.00 0.00 C ATOM 735 C TRP A 49 28.233 4.976 -12.390 1.00 0.00 C ATOM 736 O TRP A 49 28.883 3.949 -12.190 1.00 0.00 O ATOM 737 CB TRP A 49 29.224 6.891 -11.010 1.00 0.00 C ATOM 738 CG TRP A 49 28.115 7.588 -10.270 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.076 8.915 -10.015 1.00 0.00 C ATOM 740 CD2 TRP A 49 26.932 7.033 -9.606 1.00 0.00 C ATOM 741 NE1 TRP A 49 26.975 9.218 -9.241 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.229 8.096 -8.960 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.376 5.743 -9.473 1.00 0.00 C ATOM 744 CZ2 TRP A 49 25.034 7.890 -8.250 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.142 5.538 -8.827 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.456 6.612 -8.235 1.00 0.00 C ATOM 0 H TRP A 49 27.894 8.091 -12.795 1.00 0.00 H new ATOM 0 HA TRP A 49 29.945 6.128 -12.853 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.564 6.066 -10.384 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.054 7.593 -11.090 1.00 0.00 H new ATOM 0 HD1 TRP A 49 28.802 9.634 -10.366 1.00 0.00 H new ATOM 0 HE1 TRP A 49 26.743 10.157 -8.917 1.00 0.00 H new ATOM 0 HE3 TRP A 49 26.909 4.894 -9.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.566 8.707 -7.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.718 4.545 -8.786 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.493 6.455 -7.773 1.00 0.00 H new ATOM 757 N ALA A 50 26.915 4.946 -12.628 1.00 0.00 N ATOM 758 CA ALA A 50 26.170 3.710 -12.791 1.00 0.00 C ATOM 759 C ALA A 50 26.131 3.369 -14.276 1.00 0.00 C ATOM 760 O ALA A 50 25.176 3.703 -14.975 1.00 0.00 O ATOM 761 CB ALA A 50 24.768 3.826 -12.198 1.00 0.00 C ATOM 0 H ALA A 50 26.342 5.786 -12.712 1.00 0.00 H new ATOM 0 HA ALA A 50 26.664 2.904 -12.248 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.236 2.885 -12.336 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.840 4.049 -11.134 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.225 4.627 -12.701 1.00 0.00 H new ATOM 767 N GLU A 51 27.170 2.696 -14.772 1.00 0.00 N ATOM 768 CA GLU A 51 27.188 2.192 -16.145 1.00 0.00 C ATOM 769 C GLU A 51 26.134 1.093 -16.376 1.00 0.00 C ATOM 770 O GLU A 51 25.880 0.732 -17.527 1.00 0.00 O ATOM 771 CB GLU A 51 28.596 1.680 -16.502 1.00 0.00 C ATOM 772 CG GLU A 51 29.581 2.812 -16.836 1.00 0.00 C ATOM 773 CD GLU A 51 29.299 3.537 -18.172 1.00 0.00 C ATOM 774 OE1 GLU A 51 28.285 3.249 -18.851 1.00 0.00 O ATOM 775 OE2 GLU A 51 30.120 4.399 -18.565 1.00 0.00 O ATOM 0 H GLU A 51 28.014 2.487 -14.239 1.00 0.00 H new ATOM 0 HA GLU A 51 26.931 3.022 -16.804 1.00 0.00 H new ATOM 0 HB2 GLU A 51 28.988 1.100 -15.667 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.525 1.004 -17.354 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.560 3.544 -16.029 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.590 2.401 -16.867 1.00 0.00 H new ATOM 782 N TYR A 52 25.504 0.572 -15.319 1.00 0.00 N ATOM 783 CA TYR A 52 24.464 -0.443 -15.387 1.00 0.00 C ATOM 784 C TYR A 52 23.357 -0.075 -14.402 1.00 0.00 C ATOM 785 O TYR A 52 23.618 0.383 -13.289 1.00 0.00 O ATOM 786 CB TYR A 52 25.012 -1.859 -15.128 1.00 0.00 C ATOM 787 CG TYR A 52 26.204 -1.964 -14.196 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.487 -1.676 -14.694 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.043 -2.364 -12.857 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.612 -1.767 -13.856 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.164 -2.470 -12.012 1.00 0.00 C ATOM 792 CZ TYR A 52 28.455 -2.166 -12.508 1.00 0.00 C ATOM 793 OH TYR A 52 29.551 -2.257 -11.703 1.00 0.00 O ATOM 0 H TYR A 52 25.716 0.859 -14.363 1.00 0.00 H new ATOM 0 HA TYR A 52 24.058 -0.466 -16.398 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.205 -2.468 -14.720 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.289 -2.298 -16.086 1.00 0.00 H new ATOM 0 HD1 TYR A 52 27.609 -1.383 -15.726 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.058 -2.590 -12.477 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.594 -1.533 -14.240 1.00 0.00 H new ATOM 0 HE2 TYR A 52 27.039 -2.783 -10.986 1.00 0.00 H new ATOM 0 HH TYR A 52 29.276 -2.542 -10.807 1.00 0.00 H new ATOM 803 N HIS A 53 22.113 -0.307 -14.822 1.00 0.00 N ATOM 804 CA HIS A 53 20.890 0.075 -14.114 1.00 0.00 C ATOM 805 C HIS A 53 20.809 -0.575 -12.728 1.00 0.00 C ATOM 806 O HIS A 53 20.285 0.024 -11.788 1.00 0.00 O ATOM 807 CB HIS A 53 19.663 -0.316 -14.964 1.00 0.00 C ATOM 808 CG HIS A 53 19.866 -0.105 -16.448 1.00 0.00 C ATOM 809 ND1 HIS A 53 19.711 1.071 -17.146 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.382 -1.027 -17.322 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.130 0.858 -18.405 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.549 -0.409 -18.562 1.00 0.00 N ATOM 0 H HIS A 53 21.922 -0.786 -15.702 1.00 0.00 H new ATOM 0 HA HIS A 53 20.904 1.155 -13.964 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.425 -1.364 -14.783 1.00 0.00 H new ATOM 0 HB3 HIS A 53 18.803 0.268 -14.636 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.344 1.947 -16.774 1.00 0.00 H new ATOM 0 HD2 HIS A 53 20.619 -2.055 -17.090 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.130 1.605 -19.185 1.00 0.00 H new ATOM 820 N ALA A 54 21.359 -1.786 -12.585 1.00 0.00 N ATOM 821 CA ALA A 54 21.405 -2.486 -11.310 1.00 0.00 C ATOM 822 C ALA A 54 22.202 -1.703 -10.261 1.00 0.00 C ATOM 823 O ALA A 54 21.888 -1.803 -9.076 1.00 0.00 O ATOM 824 CB ALA A 54 22.000 -3.885 -11.507 1.00 0.00 C ATOM 0 H ALA A 54 21.783 -2.303 -13.355 1.00 0.00 H new ATOM 0 HA ALA A 54 20.385 -2.578 -10.937 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.032 -4.405 -10.549 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.381 -4.449 -12.205 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.010 -3.798 -11.907 1.00 0.00 H new ATOM 830 N ASP A 55 23.209 -0.916 -10.667 1.00 0.00 N ATOM 831 CA ASP A 55 24.026 -0.166 -9.715 1.00 0.00 C ATOM 832 C ASP A 55 23.203 0.939 -9.060 1.00 0.00 C ATOM 833 O ASP A 55 23.183 1.044 -7.836 1.00 0.00 O ATOM 834 CB ASP A 55 25.254 0.458 -10.384 1.00 0.00 C ATOM 835 CG ASP A 55 26.206 1.014 -9.314 1.00 0.00 C ATOM 836 OD1 ASP A 55 26.904 0.212 -8.652 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.273 2.249 -9.146 1.00 0.00 O ATOM 0 H ASP A 55 23.473 -0.786 -11.644 1.00 0.00 H new ATOM 0 HA ASP A 55 24.366 -0.875 -8.960 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.769 -0.289 -10.988 1.00 0.00 H new ATOM 0 HB3 ASP A 55 24.945 1.256 -11.059 1.00 0.00 H new ATOM 842 N ILE A 56 22.470 1.722 -9.864 1.00 0.00 N ATOM 843 CA ILE A 56 21.587 2.764 -9.348 1.00 0.00 C ATOM 844 C ILE A 56 20.425 2.146 -8.574 1.00 0.00 C ATOM 845 O ILE A 56 20.046 2.701 -7.544 1.00 0.00 O ATOM 846 CB ILE A 56 21.081 3.766 -10.426 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.093 3.249 -11.888 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.818 5.099 -10.247 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.878 4.312 -12.970 1.00 0.00 C ATOM 0 H ILE A 56 22.476 1.648 -10.881 1.00 0.00 H new ATOM 0 HA ILE A 56 22.194 3.362 -8.668 1.00 0.00 H new ATOM 0 HB ILE A 56 20.014 3.908 -10.251 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.048 2.757 -12.072 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.318 2.489 -11.992 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.472 5.810 -10.997 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.617 5.495 -9.252 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.890 4.941 -10.365 1.00 0.00 H new ATOM 0 HD11 ILE A 56 20.905 3.841 -13.953 1.00 0.00 H new ATOM 0 HD12 ILE A 56 19.909 4.790 -12.823 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.666 5.062 -12.905 1.00 0.00 H new ATOM 861 N TYR A 57 19.881 1.007 -9.017 1.00 0.00 N ATOM 862 CA TYR A 57 18.820 0.346 -8.270 1.00 0.00 C ATOM 863 C TYR A 57 19.316 -0.046 -6.876 1.00 0.00 C ATOM 864 O TYR A 57 18.639 0.259 -5.894 1.00 0.00 O ATOM 865 CB TYR A 57 18.278 -0.871 -9.032 1.00 0.00 C ATOM 866 CG TYR A 57 17.260 -1.669 -8.234 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.112 -1.034 -7.719 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.493 -3.028 -7.943 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.218 -1.740 -6.897 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.595 -3.743 -7.131 1.00 0.00 C ATOM 871 CZ TYR A 57 15.461 -3.099 -6.587 1.00 0.00 C ATOM 872 OH TYR A 57 14.630 -3.794 -5.760 1.00 0.00 O ATOM 0 H TYR A 57 20.157 0.534 -9.877 1.00 0.00 H new ATOM 0 HA TYR A 57 17.995 1.048 -8.153 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.819 -0.535 -9.962 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.109 -1.522 -9.303 1.00 0.00 H new ATOM 0 HD1 TYR A 57 15.918 0.001 -7.958 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.365 -3.522 -8.345 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.344 -1.245 -6.501 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.773 -4.788 -6.922 1.00 0.00 H new ATOM 0 HH TYR A 57 13.923 -3.200 -5.433 1.00 0.00 H new ATOM 882 N ASP A 58 20.494 -0.665 -6.763 1.00 0.00 N ATOM 883 CA ASP A 58 21.042 -1.082 -5.474 1.00 0.00 C ATOM 884 C ASP A 58 21.383 0.124 -4.596 1.00 0.00 C ATOM 885 O ASP A 58 20.986 0.168 -3.431 1.00 0.00 O ATOM 886 CB ASP A 58 22.289 -1.948 -5.676 1.00 0.00 C ATOM 887 CG ASP A 58 22.899 -2.334 -4.318 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.349 -3.227 -3.637 1.00 0.00 O ATOM 889 OD2 ASP A 58 23.944 -1.763 -3.934 1.00 0.00 O ATOM 0 H ASP A 58 21.091 -0.889 -7.559 1.00 0.00 H new ATOM 0 HA ASP A 58 20.277 -1.669 -4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.028 -2.848 -6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.024 -1.406 -6.271 1.00 0.00 H new ATOM 894 N LYS A 59 22.063 1.126 -5.168 1.00 0.00 N ATOM 895 CA LYS A 59 22.424 2.376 -4.497 1.00 0.00 C ATOM 896 C LYS A 59 21.185 3.014 -3.878 1.00 0.00 C ATOM 897 O LYS A 59 21.157 3.304 -2.680 1.00 0.00 O ATOM 898 CB LYS A 59 23.071 3.310 -5.541 1.00 0.00 C ATOM 899 CG LYS A 59 23.448 4.713 -5.027 1.00 0.00 C ATOM 900 CD LYS A 59 24.864 4.849 -4.449 1.00 0.00 C ATOM 901 CE LYS A 59 25.959 4.598 -5.498 1.00 0.00 C ATOM 902 NZ LYS A 59 27.323 4.783 -4.940 1.00 0.00 N ATOM 0 H LYS A 59 22.384 1.086 -6.135 1.00 0.00 H new ATOM 0 HA LYS A 59 23.132 2.188 -3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 59 23.970 2.829 -5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.384 3.421 -6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 59 23.340 5.422 -5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 59 22.732 5.004 -4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 59 24.988 5.849 -4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 59 24.986 4.144 -3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 59 25.862 3.584 -5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 59 25.817 5.277 -6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 28.029 4.604 -5.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 27.426 5.758 -4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 27.470 4.118 -4.154 1.00 0.00 H new ATOM 916 N VAL A 60 20.158 3.233 -4.695 1.00 0.00 N ATOM 917 CA VAL A 60 19.019 4.032 -4.290 1.00 0.00 C ATOM 918 C VAL A 60 18.059 3.211 -3.442 1.00 0.00 C ATOM 919 O VAL A 60 17.549 3.752 -2.465 1.00 0.00 O ATOM 920 CB VAL A 60 18.430 4.759 -5.509 1.00 0.00 C ATOM 921 CG1 VAL A 60 17.201 5.587 -5.111 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.535 5.694 -6.056 1.00 0.00 C ATOM 0 H VAL A 60 20.097 2.864 -5.644 1.00 0.00 H new ATOM 0 HA VAL A 60 19.316 4.837 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 60 18.111 4.037 -6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.802 6.092 -5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.439 4.929 -4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.488 6.329 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 60 19.158 6.232 -6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.823 6.408 -5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.403 5.101 -6.344 1.00 0.00 H new ATOM 932 N SER A 61 17.886 1.911 -3.686 1.00 0.00 N ATOM 933 CA SER A 61 17.137 1.074 -2.755 1.00 0.00 C ATOM 934 C SER A 61 17.825 1.028 -1.391 1.00 0.00 C ATOM 935 O SER A 61 17.130 0.918 -0.385 1.00 0.00 O ATOM 936 CB SER A 61 16.940 -0.334 -3.311 1.00 0.00 C ATOM 937 OG SER A 61 16.315 -0.246 -4.569 1.00 0.00 O ATOM 0 H SER A 61 18.248 1.424 -4.506 1.00 0.00 H new ATOM 0 HA SER A 61 16.151 1.521 -2.625 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.901 -0.841 -3.402 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.331 -0.927 -2.628 1.00 0.00 H new ATOM 0 HG SER A 61 16.988 -0.056 -5.256 1.00 0.00 H new ATOM 943 N GLY A 62 19.156 1.133 -1.323 1.00 0.00 N ATOM 944 CA GLY A 62 19.875 1.246 -0.064 1.00 0.00 C ATOM 945 C GLY A 62 19.462 2.515 0.680 1.00 0.00 C ATOM 946 O GLY A 62 19.061 2.440 1.841 1.00 0.00 O ATOM 0 H GLY A 62 19.760 1.141 -2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.673 0.373 0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.948 1.262 -0.252 1.00 0.00 H new ATOM 950 N ASP A 63 19.497 3.671 0.009 1.00 0.00 N ATOM 951 CA ASP A 63 19.120 4.945 0.623 1.00 0.00 C ATOM 952 C ASP A 63 17.649 4.948 1.028 1.00 0.00 C ATOM 953 O ASP A 63 17.324 5.319 2.153 1.00 0.00 O ATOM 954 CB ASP A 63 19.403 6.121 -0.313 1.00 0.00 C ATOM 955 CG ASP A 63 19.139 7.465 0.382 1.00 0.00 C ATOM 956 OD1 ASP A 63 20.035 7.936 1.117 1.00 0.00 O ATOM 957 OD2 ASP A 63 18.066 8.067 0.165 1.00 0.00 O ATOM 0 H ASP A 63 19.785 3.749 -0.966 1.00 0.00 H new ATOM 0 HA ASP A 63 19.730 5.061 1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.439 6.080 -0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.777 6.040 -1.202 1.00 0.00 H new ATOM 962 N MET A 64 16.759 4.470 0.157 1.00 0.00 N ATOM 963 CA MET A 64 15.336 4.379 0.454 1.00 0.00 C ATOM 964 C MET A 64 15.084 3.472 1.663 1.00 0.00 C ATOM 965 O MET A 64 14.331 3.849 2.561 1.00 0.00 O ATOM 966 CB MET A 64 14.573 3.874 -0.776 1.00 0.00 C ATOM 967 CG MET A 64 14.555 4.825 -1.982 1.00 0.00 C ATOM 968 SD MET A 64 13.704 6.401 -1.706 1.00 0.00 S ATOM 969 CE MET A 64 15.139 7.453 -1.362 1.00 0.00 C ATOM 0 H MET A 64 17.009 4.136 -0.774 1.00 0.00 H new ATOM 0 HA MET A 64 14.971 5.375 0.706 1.00 0.00 H new ATOM 0 HB2 MET A 64 15.011 2.927 -1.090 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.544 3.668 -0.483 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.584 5.032 -2.277 1.00 0.00 H new ATOM 0 HG3 MET A 64 14.080 4.315 -2.820 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.829 8.304 -0.755 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.891 6.877 -0.823 1.00 0.00 H new ATOM 0 HE3 MET A 64 15.561 7.811 -2.301 1.00 0.00 H new ATOM 979 N GLN A 65 15.723 2.304 1.745 1.00 0.00 N ATOM 980 CA GLN A 65 15.573 1.400 2.878 1.00 0.00 C ATOM 981 C GLN A 65 16.175 1.987 4.159 1.00 0.00 C ATOM 982 O GLN A 65 15.652 1.725 5.241 1.00 0.00 O ATOM 983 CB GLN A 65 16.231 0.055 2.552 1.00 0.00 C ATOM 984 CG GLN A 65 15.354 -0.835 1.659 1.00 0.00 C ATOM 985 CD GLN A 65 16.115 -2.072 1.183 1.00 0.00 C ATOM 986 OE1 GLN A 65 15.857 -3.195 1.611 1.00 0.00 O ATOM 987 NE2 GLN A 65 17.077 -1.888 0.294 1.00 0.00 N ATOM 0 H GLN A 65 16.359 1.961 1.025 1.00 0.00 H new ATOM 0 HA GLN A 65 14.507 1.255 3.056 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.185 0.233 2.055 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.449 -0.472 3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.466 -1.143 2.210 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.012 -0.263 0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 65 17.279 -0.950 -0.052 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.617 -2.684 -0.046 1.00 0.00 H new ATOM 996 N LYS A 66 17.233 2.804 4.069 1.00 0.00 N ATOM 997 CA LYS A 66 17.745 3.561 5.207 1.00 0.00 C ATOM 998 C LYS A 66 16.680 4.541 5.707 1.00 0.00 C ATOM 999 O LYS A 66 16.504 4.643 6.922 1.00 0.00 O ATOM 1000 CB LYS A 66 19.060 4.233 4.790 1.00 0.00 C ATOM 1001 CG LYS A 66 19.654 5.216 5.811 1.00 0.00 C ATOM 1002 CD LYS A 66 20.852 5.959 5.200 1.00 0.00 C ATOM 1003 CE LYS A 66 20.397 6.936 4.101 1.00 0.00 C ATOM 1004 NZ LYS A 66 21.522 7.624 3.429 1.00 0.00 N ATOM 0 H LYS A 66 17.753 2.955 3.205 1.00 0.00 H new ATOM 0 HA LYS A 66 17.966 2.909 6.052 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.797 3.456 4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.895 4.765 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.893 5.932 6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 66 19.969 4.677 6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.381 6.506 5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.556 5.239 4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.817 6.391 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.733 7.682 4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.241 7.887 2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.773 8.481 3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.344 6.988 3.390 1.00 0.00 H new ATOM 1018 N GLN A 67 15.924 5.211 4.822 1.00 0.00 N ATOM 1019 CA GLN A 67 14.757 5.983 5.266 1.00 0.00 C ATOM 1020 C GLN A 67 13.775 5.039 5.968 1.00 0.00 C ATOM 1021 O GLN A 67 13.314 5.330 7.071 1.00 0.00 O ATOM 1022 CB GLN A 67 14.042 6.715 4.115 1.00 0.00 C ATOM 1023 CG GLN A 67 14.935 7.578 3.205 1.00 0.00 C ATOM 1024 CD GLN A 67 14.115 8.334 2.156 1.00 0.00 C ATOM 1025 OE1 GLN A 67 13.225 7.658 1.441 1.00 0.00 O flip ATOM 1026 NE2 GLN A 67 14.264 9.539 1.974 1.00 0.00 N flip ATOM 0 H GLN A 67 16.096 5.233 3.817 1.00 0.00 H new ATOM 0 HA GLN A 67 15.115 6.753 5.949 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.537 5.973 3.497 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.268 7.353 4.542 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.493 8.290 3.813 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.667 6.943 2.706 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.949 10.057 2.525 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.703 10.022 1.272 1.00 0.00 H new ATOM 1035 N GLY A 68 13.499 3.893 5.347 1.00 0.00 N ATOM 1036 CA GLY A 68 12.689 2.790 5.868 1.00 0.00 C ATOM 1037 C GLY A 68 11.867 2.090 4.775 1.00 0.00 C ATOM 1038 O GLY A 68 11.192 1.100 5.055 1.00 0.00 O ATOM 0 H GLY A 68 13.855 3.697 4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.341 2.061 6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.015 3.170 6.636 1.00 0.00 H new ATOM 1042 N CYS A 69 11.892 2.621 3.549 1.00 0.00 N ATOM 1043 CA CYS A 69 11.037 2.242 2.431 1.00 0.00 C ATOM 1044 C CYS A 69 11.305 0.813 1.937 1.00 0.00 C ATOM 1045 O CYS A 69 12.264 0.155 2.343 1.00 0.00 O ATOM 1046 CB CYS A 69 11.326 3.209 1.280 1.00 0.00 C ATOM 1047 SG CYS A 69 11.122 4.946 1.774 1.00 0.00 S ATOM 0 H CYS A 69 12.545 3.365 3.302 1.00 0.00 H new ATOM 0 HA CYS A 69 10.000 2.284 2.766 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.344 3.052 0.923 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.658 2.989 0.447 1.00 0.00 H new ATOM 0 HG CYS A 69 12.186 5.618 1.447 1.00 0.00 H new ATOM 1053 N ASP A 70 10.497 0.384 0.971 1.00 0.00 N ATOM 1054 CA ASP A 70 10.675 -0.829 0.176 1.00 0.00 C ATOM 1055 C ASP A 70 10.527 -0.372 -1.274 1.00 0.00 C ATOM 1056 O ASP A 70 9.747 0.557 -1.530 1.00 0.00 O ATOM 1057 CB ASP A 70 9.640 -1.893 0.549 1.00 0.00 C ATOM 1058 CG ASP A 70 9.774 -3.135 -0.347 1.00 0.00 C ATOM 1059 OD1 ASP A 70 10.889 -3.690 -0.453 1.00 0.00 O ATOM 1060 OD2 ASP A 70 8.758 -3.574 -0.931 1.00 0.00 O ATOM 0 H ASP A 70 9.657 0.899 0.708 1.00 0.00 H new ATOM 0 HA ASP A 70 11.643 -1.299 0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.768 -2.179 1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.637 -1.478 0.453 1.00 0.00 H new ATOM 1065 N CYS A 71 11.297 -0.941 -2.209 1.00 0.00 N ATOM 1066 CA CYS A 71 11.399 -0.418 -3.570 1.00 0.00 C ATOM 1067 C CYS A 71 11.622 -1.507 -4.621 1.00 0.00 C ATOM 1068 O CYS A 71 12.050 -2.616 -4.293 1.00 0.00 O ATOM 1069 CB CYS A 71 12.581 0.562 -3.655 1.00 0.00 C ATOM 1070 SG CYS A 71 12.514 1.831 -2.365 1.00 0.00 S ATOM 0 H CYS A 71 11.863 -1.773 -2.041 1.00 0.00 H new ATOM 0 HA CYS A 71 10.447 0.069 -3.783 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.516 0.009 -3.569 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.583 1.042 -4.634 1.00 0.00 H new ATOM 0 HG CYS A 71 13.319 1.508 -1.397 1.00 0.00 H new ATOM 1076 N GLU A 72 11.401 -1.170 -5.897 1.00 0.00 N ATOM 1077 CA GLU A 72 11.544 -2.076 -7.027 1.00 0.00 C ATOM 1078 C GLU A 72 11.829 -1.242 -8.279 1.00 0.00 C ATOM 1079 O GLU A 72 11.096 -0.296 -8.559 1.00 0.00 O ATOM 1080 CB GLU A 72 10.240 -2.879 -7.174 1.00 0.00 C ATOM 1081 CG GLU A 72 10.256 -3.757 -8.428 1.00 0.00 C ATOM 1082 CD GLU A 72 9.084 -4.754 -8.444 1.00 0.00 C ATOM 1083 OE1 GLU A 72 7.970 -4.393 -8.887 1.00 0.00 O ATOM 1084 OE2 GLU A 72 9.270 -5.921 -8.029 1.00 0.00 O ATOM 0 H GLU A 72 11.110 -0.232 -6.172 1.00 0.00 H new ATOM 0 HA GLU A 72 12.367 -2.775 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.096 -3.505 -6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.394 -2.194 -7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.207 -3.125 -9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.198 -4.303 -8.477 1.00 0.00 H new ATOM 1091 N CYS A 73 12.879 -1.569 -9.035 1.00 0.00 N ATOM 1092 CA CYS A 73 13.116 -0.990 -10.351 1.00 0.00 C ATOM 1093 C CYS A 73 12.025 -1.502 -11.298 1.00 0.00 C ATOM 1094 O CYS A 73 11.955 -2.700 -11.582 1.00 0.00 O ATOM 1095 CB CYS A 73 14.531 -1.329 -10.850 1.00 0.00 C ATOM 1096 SG CYS A 73 14.933 -3.079 -10.570 1.00 0.00 S ATOM 0 H CYS A 73 13.588 -2.244 -8.748 1.00 0.00 H new ATOM 0 HA CYS A 73 13.064 0.098 -10.306 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.607 -1.103 -11.914 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.259 -0.701 -10.337 1.00 0.00 H new ATOM 0 HG CYS A 73 15.825 -3.463 -11.435 1.00 0.00 H new ATOM 1102 N LEU A 74 11.164 -0.603 -11.781 1.00 0.00 N ATOM 1103 CA LEU A 74 10.118 -0.942 -12.743 1.00 0.00 C ATOM 1104 C LEU A 74 10.726 -1.261 -14.111 1.00 0.00 C ATOM 1105 O LEU A 74 10.148 -2.029 -14.881 1.00 0.00 O ATOM 1106 CB LEU A 74 9.117 0.217 -12.877 1.00 0.00 C ATOM 1107 CG LEU A 74 8.327 0.548 -11.596 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.322 1.659 -11.907 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.575 -0.661 -11.024 1.00 0.00 C ATOM 0 H LEU A 74 11.174 0.381 -11.514 1.00 0.00 H new ATOM 0 HA LEU A 74 9.594 -1.825 -12.377 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.658 1.109 -13.193 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.409 -0.024 -13.670 1.00 0.00 H new ATOM 0 HG LEU A 74 9.049 0.863 -10.843 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.757 1.901 -11.007 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.855 2.546 -12.251 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.637 1.323 -12.685 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.039 -0.363 -10.123 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.865 -1.031 -11.764 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.287 -1.449 -10.778 1.00 0.00 H new ATOM 1121 N GLY A 75 11.887 -0.680 -14.410 1.00 0.00 N ATOM 1122 CA GLY A 75 12.648 -0.884 -15.628 1.00 0.00 C ATOM 1123 C GLY A 75 13.809 0.102 -15.635 1.00 0.00 C ATOM 1124 O GLY A 75 14.008 0.846 -14.666 1.00 0.00 O ATOM 0 H GLY A 75 12.339 -0.023 -13.774 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.019 -1.908 -15.678 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.015 -0.732 -16.502 1.00 0.00 H new ATOM 1128 N GLY A 76 14.545 0.153 -16.741 1.00 0.00 N ATOM 1129 CA GLY A 76 15.621 1.110 -16.932 1.00 0.00 C ATOM 1130 C GLY A 76 15.831 1.388 -18.413 1.00 0.00 C ATOM 1131 O GLY A 76 15.117 0.852 -19.264 1.00 0.00 O ATOM 0 H GLY A 76 14.408 -0.474 -17.533 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.386 2.038 -16.411 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.541 0.723 -16.495 1.00 0.00 H new ATOM 1135 N GLY A 77 16.807 2.238 -18.705 1.00 0.00 N ATOM 1136 CA GLY A 77 17.099 2.743 -20.036 1.00 0.00 C ATOM 1137 C GLY A 77 18.283 3.696 -19.936 1.00 0.00 C ATOM 1138 O GLY A 77 19.002 3.684 -18.930 1.00 0.00 O ATOM 0 H GLY A 77 17.439 2.607 -17.994 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.330 1.920 -20.712 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.230 3.258 -20.446 1.00 0.00 H new ATOM 1142 N ARG A 78 18.496 4.541 -20.939 1.00 0.00 N ATOM 1143 CA ARG A 78 19.587 5.508 -20.921 1.00 0.00 C ATOM 1144 C ARG A 78 19.121 6.855 -21.440 1.00 0.00 C ATOM 1145 O ARG A 78 18.018 6.999 -21.973 1.00 0.00 O ATOM 1146 CB ARG A 78 20.845 4.961 -21.624 1.00 0.00 C ATOM 1147 CG ARG A 78 20.687 4.681 -23.122 1.00 0.00 C ATOM 1148 CD ARG A 78 22.027 4.212 -23.703 1.00 0.00 C ATOM 1149 NE ARG A 78 21.838 3.545 -24.996 1.00 0.00 N ATOM 1150 CZ ARG A 78 22.640 3.566 -26.065 1.00 0.00 C ATOM 1151 NH1 ARG A 78 23.752 4.299 -26.095 1.00 0.00 N ATOM 1152 NH2 ARG A 78 22.290 2.816 -27.099 1.00 0.00 N ATOM 0 H ARG A 78 17.922 4.575 -21.781 1.00 0.00 H new ATOM 0 HA ARG A 78 19.892 5.674 -19.888 1.00 0.00 H new ATOM 0 HB2 ARG A 78 21.657 5.675 -21.488 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.146 4.038 -21.128 1.00 0.00 H new ATOM 0 HG2 ARG A 78 19.924 3.919 -23.281 1.00 0.00 H new ATOM 0 HG3 ARG A 78 20.351 5.581 -23.637 1.00 0.00 H new ATOM 0 HD2 ARG A 78 22.693 5.066 -23.825 1.00 0.00 H new ATOM 0 HD3 ARG A 78 22.510 3.528 -23.005 1.00 0.00 H new ATOM 0 HE ARG A 78 20.985 2.994 -25.091 1.00 0.00 H new ATOM 0 HH11 ARG A 78 24.012 4.865 -25.287 1.00 0.00 H new ATOM 0 HH12 ARG A 78 24.344 4.294 -26.926 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.439 2.255 -27.057 1.00 0.00 H new ATOM 0 HH22 ARG A 78 22.871 2.800 -27.937 1.00 0.00 H new ATOM 1166 N ILE A 79 19.964 7.848 -21.210 1.00 0.00 N ATOM 1167 CA ILE A 79 19.695 9.254 -21.400 1.00 0.00 C ATOM 1168 C ILE A 79 20.870 9.783 -22.217 1.00 0.00 C ATOM 1169 O ILE A 79 22.007 9.327 -22.045 1.00 0.00 O ATOM 1170 CB ILE A 79 19.548 9.912 -20.003 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.271 9.385 -19.304 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.482 11.445 -20.118 1.00 0.00 C ATOM 1173 CD1 ILE A 79 18.002 9.942 -17.900 1.00 0.00 C ATOM 0 H ILE A 79 20.909 7.678 -20.865 1.00 0.00 H new ATOM 0 HA ILE A 79 18.770 9.472 -21.933 1.00 0.00 H new ATOM 0 HB ILE A 79 20.424 9.649 -19.409 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.413 9.614 -19.936 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.338 8.299 -19.237 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.379 11.880 -19.124 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.396 11.815 -20.583 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.624 11.727 -20.728 1.00 0.00 H new ATOM 0 HD11 ILE A 79 17.084 9.506 -17.505 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.835 9.691 -17.243 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.896 11.026 -17.953 1.00 0.00 H new ATOM 1185 N SER A 80 20.621 10.714 -23.139 1.00 0.00 N ATOM 1186 CA SER A 80 21.675 11.308 -23.952 1.00 0.00 C ATOM 1187 C SER A 80 21.325 12.735 -24.364 1.00 0.00 C ATOM 1188 O SER A 80 20.150 13.116 -24.420 1.00 0.00 O ATOM 1189 CB SER A 80 21.943 10.448 -25.196 1.00 0.00 C ATOM 1190 OG SER A 80 22.216 9.103 -24.835 1.00 0.00 O ATOM 0 H SER A 80 19.688 11.074 -23.340 1.00 0.00 H new ATOM 0 HA SER A 80 22.579 11.346 -23.345 1.00 0.00 H new ATOM 0 HB2 SER A 80 21.079 10.482 -25.859 1.00 0.00 H new ATOM 0 HB3 SER A 80 22.787 10.858 -25.751 1.00 0.00 H new ATOM 0 HG SER A 80 22.324 9.041 -23.863 1.00 0.00 H new ATOM 1196 N HIS A 81 22.377 13.504 -24.654 1.00 0.00 N ATOM 1197 CA HIS A 81 22.324 14.855 -25.195 1.00 0.00 C ATOM 1198 C HIS A 81 21.597 14.897 -26.548 1.00 0.00 C ATOM 1199 O HIS A 81 21.287 13.863 -27.150 1.00 0.00 O ATOM 1200 CB HIS A 81 23.756 15.411 -25.314 1.00 0.00 C ATOM 1201 CG HIS A 81 24.567 14.805 -26.439 1.00 0.00 C ATOM 1202 ND1 HIS A 81 25.115 13.540 -26.478 1.00 0.00 N ATOM 1203 CD2 HIS A 81 24.872 15.408 -27.632 1.00 0.00 C ATOM 1204 CE1 HIS A 81 25.733 13.387 -27.661 1.00 0.00 C ATOM 1205 NE2 HIS A 81 25.612 14.503 -28.405 1.00 0.00 N ATOM 0 H HIS A 81 23.334 13.181 -24.509 1.00 0.00 H new ATOM 0 HA HIS A 81 21.751 15.483 -24.513 1.00 0.00 H new ATOM 0 HB2 HIS A 81 23.704 16.490 -25.460 1.00 0.00 H new ATOM 0 HB3 HIS A 81 24.279 15.242 -24.373 1.00 0.00 H new ATOM 0 HD1 HIS A 81 25.061 12.841 -25.737 1.00 0.00 H new ATOM 0 HD2 HIS A 81 24.590 16.408 -27.926 1.00 0.00 H new ATOM 0 HE1 HIS A 81 26.254 12.494 -27.972 1.00 0.00 H new ATOM 1213 N GLN A 82 21.338 16.109 -27.041 1.00 0.00 N ATOM 1214 CA GLN A 82 20.588 16.375 -28.262 1.00 0.00 C ATOM 1215 C GLN A 82 21.213 17.576 -28.974 1.00 0.00 C ATOM 1216 O GLN A 82 21.856 18.413 -28.334 1.00 0.00 O ATOM 1217 CB GLN A 82 19.126 16.691 -27.889 1.00 0.00 C ATOM 1218 CG GLN A 82 18.359 15.507 -27.279 1.00 0.00 C ATOM 1219 CD GLN A 82 17.981 14.481 -28.339 1.00 0.00 C ATOM 1220 OE1 GLN A 82 16.924 14.600 -28.954 1.00 0.00 O ATOM 1221 NE2 GLN A 82 18.812 13.478 -28.570 1.00 0.00 N ATOM 0 H GLN A 82 21.658 16.961 -26.581 1.00 0.00 H new ATOM 0 HA GLN A 82 20.615 15.508 -28.922 1.00 0.00 H new ATOM 0 HB2 GLN A 82 19.115 17.520 -27.181 1.00 0.00 H new ATOM 0 HB3 GLN A 82 18.600 17.028 -28.782 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.971 15.031 -26.513 1.00 0.00 H new ATOM 0 HG3 GLN A 82 17.458 15.871 -26.786 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.683 13.405 -28.044 1.00 0.00 H new ATOM 0 HE22 GLN A 82 18.582 12.777 -29.275 1.00 0.00 H new ATOM 1230 N SER A 83 20.992 17.682 -30.288 1.00 0.00 N ATOM 1231 CA SER A 83 21.407 18.832 -31.087 1.00 0.00 C ATOM 1232 C SER A 83 20.736 20.115 -30.570 1.00 0.00 C ATOM 1233 O SER A 83 21.369 21.171 -30.528 1.00 0.00 O ATOM 1234 CB SER A 83 21.058 18.580 -32.562 1.00 0.00 C ATOM 1235 OG SER A 83 21.480 17.282 -32.965 1.00 0.00 O ATOM 0 H SER A 83 20.514 16.962 -30.830 1.00 0.00 H new ATOM 0 HA SER A 83 22.485 18.965 -31.000 1.00 0.00 H new ATOM 0 HB2 SER A 83 19.982 18.680 -32.708 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.536 19.334 -33.188 1.00 0.00 H new ATOM 0 HG SER A 83 21.247 17.140 -33.906 1.00 0.00 H new ATOM 1241 N GLN A 84 19.468 20.014 -30.151 1.00 0.00 N ATOM 1242 CA GLN A 84 18.772 21.070 -29.432 1.00 0.00 C ATOM 1243 C GLN A 84 19.296 21.022 -27.995 1.00 0.00 C ATOM 1244 O GLN A 84 18.837 20.212 -27.193 1.00 0.00 O ATOM 1245 CB GLN A 84 17.246 20.871 -29.537 1.00 0.00 C ATOM 1246 CG GLN A 84 16.408 21.824 -28.662 1.00 0.00 C ATOM 1247 CD GLN A 84 16.807 23.290 -28.824 1.00 0.00 C ATOM 1248 OE1 GLN A 84 17.749 23.754 -28.189 1.00 0.00 O ATOM 1249 NE2 GLN A 84 16.126 24.043 -29.672 1.00 0.00 N ATOM 0 H GLN A 84 18.896 19.184 -30.307 1.00 0.00 H new ATOM 0 HA GLN A 84 18.960 22.058 -29.852 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.948 20.999 -30.578 1.00 0.00 H new ATOM 0 HB3 GLN A 84 17.008 19.844 -29.261 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.354 21.710 -28.917 1.00 0.00 H new ATOM 0 HG3 GLN A 84 16.516 21.537 -27.616 1.00 0.00 H new ATOM 0 HE21 GLN A 84 15.345 23.645 -30.194 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.382 25.021 -29.804 1.00 0.00 H new ATOM 1258 N ASP A 85 20.270 21.875 -27.680 1.00 0.00 N ATOM 1259 CA ASP A 85 20.918 21.927 -26.369 1.00 0.00 C ATOM 1260 C ASP A 85 19.922 22.143 -25.222 1.00 0.00 C ATOM 1261 O ASP A 85 20.169 21.701 -24.101 1.00 0.00 O ATOM 1262 CB ASP A 85 21.970 23.042 -26.369 1.00 0.00 C ATOM 1263 CG ASP A 85 22.675 23.157 -25.006 1.00 0.00 C ATOM 1264 OD1 ASP A 85 23.507 22.282 -24.677 1.00 0.00 O ATOM 1265 OD2 ASP A 85 22.439 24.148 -24.281 1.00 0.00 O ATOM 0 H ASP A 85 20.637 22.561 -28.339 1.00 0.00 H new ATOM 0 HA ASP A 85 21.389 20.959 -26.197 1.00 0.00 H new ATOM 0 HB2 ASP A 85 22.709 22.846 -27.146 1.00 0.00 H new ATOM 0 HB3 ASP A 85 21.494 23.992 -26.614 1.00 0.00 H new ATOM 1270 N LYS A 86 18.776 22.782 -25.496 1.00 0.00 N ATOM 1271 CA LYS A 86 17.727 23.030 -24.506 1.00 0.00 C ATOM 1272 C LYS A 86 16.924 21.768 -24.143 1.00 0.00 C ATOM 1273 O LYS A 86 15.942 21.899 -23.406 1.00 0.00 O ATOM 1274 CB LYS A 86 16.794 24.159 -24.986 1.00 0.00 C ATOM 1275 CG LYS A 86 17.525 25.496 -25.200 1.00 0.00 C ATOM 1276 CD LYS A 86 16.590 26.625 -25.662 1.00 0.00 C ATOM 1277 CE LYS A 86 15.569 27.020 -24.583 1.00 0.00 C ATOM 1278 NZ LYS A 86 14.725 28.167 -25.002 1.00 0.00 N ATOM 0 H LYS A 86 18.552 23.144 -26.423 1.00 0.00 H new ATOM 0 HA LYS A 86 18.227 23.343 -23.589 1.00 0.00 H new ATOM 0 HB2 LYS A 86 16.319 23.858 -25.920 1.00 0.00 H new ATOM 0 HB3 LYS A 86 15.998 24.300 -24.255 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.010 25.791 -24.270 1.00 0.00 H new ATOM 0 HG3 LYS A 86 18.313 25.358 -25.941 1.00 0.00 H new ATOM 0 HD2 LYS A 86 17.185 27.498 -25.932 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.061 26.309 -26.561 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.931 26.165 -24.358 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.095 27.275 -23.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.052 28.398 -24.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.329 28.992 -25.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.202 27.916 -25.865 1.00 0.00 H new ATOM 1292 N LYS A 87 17.257 20.571 -24.649 1.00 0.00 N ATOM 1293 CA LYS A 87 16.609 19.343 -24.192 1.00 0.00 C ATOM 1294 C LYS A 87 17.585 18.178 -24.098 1.00 0.00 C ATOM 1295 O LYS A 87 18.672 18.209 -24.674 1.00 0.00 O ATOM 1296 CB LYS A 87 15.349 19.035 -25.030 1.00 0.00 C ATOM 1297 CG LYS A 87 15.601 18.399 -26.408 1.00 0.00 C ATOM 1298 CD LYS A 87 14.288 18.321 -27.205 1.00 0.00 C ATOM 1299 CE LYS A 87 14.419 17.735 -28.625 1.00 0.00 C ATOM 1300 NZ LYS A 87 14.592 16.257 -28.666 1.00 0.00 N ATOM 0 H LYS A 87 17.966 20.432 -25.369 1.00 0.00 H new ATOM 0 HA LYS A 87 16.264 19.503 -23.171 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.707 18.368 -24.455 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.796 19.963 -25.175 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.335 18.987 -26.959 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.020 17.400 -26.285 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.576 17.717 -26.644 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.866 19.323 -27.280 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.531 18.001 -29.198 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.270 18.202 -29.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.121 15.876 -29.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.606 16.027 -28.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.170 15.834 -27.815 1.00 0.00 H new ATOM 1314 N ILE A 88 17.150 17.124 -23.409 1.00 0.00 N ATOM 1315 CA ILE A 88 17.814 15.828 -23.262 1.00 0.00 C ATOM 1316 C ILE A 88 16.769 14.790 -23.713 1.00 0.00 C ATOM 1317 O ILE A 88 15.577 15.110 -23.796 1.00 0.00 O ATOM 1318 CB ILE A 88 18.290 15.604 -21.795 1.00 0.00 C ATOM 1319 CG1 ILE A 88 18.823 16.852 -21.044 1.00 0.00 C ATOM 1320 CG2 ILE A 88 19.355 14.499 -21.706 1.00 0.00 C ATOM 1321 CD1 ILE A 88 20.156 17.422 -21.553 1.00 0.00 C ATOM 0 H ILE A 88 16.264 17.154 -22.904 1.00 0.00 H new ATOM 0 HA ILE A 88 18.720 15.754 -23.863 1.00 0.00 H new ATOM 0 HB ILE A 88 17.368 15.314 -21.291 1.00 0.00 H new ATOM 0 HG12 ILE A 88 18.069 17.637 -21.102 1.00 0.00 H new ATOM 0 HG13 ILE A 88 18.938 16.597 -19.990 1.00 0.00 H new ATOM 0 HG21 ILE A 88 19.662 14.372 -20.668 1.00 0.00 H new ATOM 0 HG22 ILE A 88 18.940 13.563 -22.079 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.220 14.778 -22.308 1.00 0.00 H new ATOM 0 HD11 ILE A 88 20.432 18.291 -20.956 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.933 16.662 -21.468 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.050 17.718 -22.597 1.00 0.00 H new ATOM 1333 N HIS A 89 17.179 13.553 -24.002 1.00 0.00 N ATOM 1334 CA HIS A 89 16.281 12.507 -24.485 1.00 0.00 C ATOM 1335 C HIS A 89 16.469 11.234 -23.663 1.00 0.00 C ATOM 1336 O HIS A 89 17.577 10.976 -23.190 1.00 0.00 O ATOM 1337 CB HIS A 89 16.553 12.275 -25.974 1.00 0.00 C ATOM 1338 CG HIS A 89 15.472 11.507 -26.688 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.300 12.038 -27.175 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.497 10.187 -27.049 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.636 11.064 -27.818 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.323 9.909 -27.759 1.00 0.00 N ATOM 0 H HIS A 89 18.148 13.249 -23.906 1.00 0.00 H new ATOM 0 HA HIS A 89 15.241 12.813 -24.368 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.680 13.241 -26.463 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.495 11.737 -26.080 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.285 9.483 -26.825 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.684 11.190 -28.313 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.044 9.010 -28.153 1.00 0.00 H new ATOM 1350 N VAL A 90 15.407 10.436 -23.519 1.00 0.00 N ATOM 1351 CA VAL A 90 15.350 9.240 -22.676 1.00 0.00 C ATOM 1352 C VAL A 90 14.830 8.090 -23.549 1.00 0.00 C ATOM 1353 O VAL A 90 13.817 8.249 -24.231 1.00 0.00 O ATOM 1354 CB VAL A 90 14.424 9.491 -21.461 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.560 8.355 -20.437 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.672 10.839 -20.755 1.00 0.00 C ATOM 0 H VAL A 90 14.529 10.613 -24.006 1.00 0.00 H new ATOM 0 HA VAL A 90 16.335 8.988 -22.282 1.00 0.00 H new ATOM 0 HB VAL A 90 13.413 9.524 -21.867 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.902 8.548 -19.590 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.283 7.410 -20.903 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.592 8.300 -20.090 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.985 10.941 -19.915 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.699 10.876 -20.391 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.508 11.654 -21.459 1.00 0.00 H new ATOM 1366 N TYR A 91 15.528 6.956 -23.592 1.00 0.00 N ATOM 1367 CA TYR A 91 15.245 5.885 -24.546 1.00 0.00 C ATOM 1368 C TYR A 91 15.885 4.568 -24.088 1.00 0.00 C ATOM 1369 O TYR A 91 16.503 4.502 -23.021 1.00 0.00 O ATOM 1370 CB TYR A 91 15.767 6.305 -25.936 1.00 0.00 C ATOM 1371 CG TYR A 91 17.275 6.454 -26.023 1.00 0.00 C ATOM 1372 CD1 TYR A 91 17.908 7.590 -25.482 1.00 0.00 C ATOM 1373 CD2 TYR A 91 18.053 5.440 -26.614 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.304 7.709 -25.518 1.00 0.00 C ATOM 1375 CE2 TYR A 91 19.452 5.560 -26.672 1.00 0.00 C ATOM 1376 CZ TYR A 91 20.087 6.700 -26.124 1.00 0.00 C ATOM 1377 OH TYR A 91 21.444 6.814 -26.164 1.00 0.00 O ATOM 0 H TYR A 91 16.307 6.754 -22.965 1.00 0.00 H new ATOM 0 HA TYR A 91 14.169 5.719 -24.603 1.00 0.00 H new ATOM 0 HB2 TYR A 91 15.445 5.566 -26.670 1.00 0.00 H new ATOM 0 HB3 TYR A 91 15.304 7.252 -26.213 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.314 8.374 -25.037 1.00 0.00 H new ATOM 0 HD2 TYR A 91 17.572 4.565 -27.025 1.00 0.00 H new ATOM 0 HE1 TYR A 91 19.783 8.573 -25.082 1.00 0.00 H new ATOM 0 HE2 TYR A 91 20.042 4.783 -27.134 1.00 0.00 H new ATOM 0 HH TYR A 91 21.725 7.574 -25.613 1.00 0.00 H new ATOM 1387 N GLY A 92 15.782 3.525 -24.914 1.00 0.00 N ATOM 1388 CA GLY A 92 16.472 2.266 -24.697 1.00 0.00 C ATOM 1389 C GLY A 92 15.735 1.369 -23.709 1.00 0.00 C ATOM 1390 O GLY A 92 14.568 1.608 -23.384 1.00 0.00 O ATOM 0 H GLY A 92 15.210 3.538 -25.759 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.580 1.744 -25.648 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.477 2.464 -24.326 1.00 0.00 H new ATOM 1394 N TYR A 93 16.408 0.314 -23.251 1.00 0.00 N ATOM 1395 CA TYR A 93 15.866 -0.626 -22.277 1.00 0.00 C ATOM 1396 C TYR A 93 16.998 -1.235 -21.456 1.00 0.00 C ATOM 1397 O TYR A 93 18.098 -1.452 -21.971 1.00 0.00 O ATOM 1398 CB TYR A 93 15.055 -1.732 -22.979 1.00 0.00 C ATOM 1399 CG TYR A 93 15.771 -2.518 -24.066 1.00 0.00 C ATOM 1400 CD1 TYR A 93 16.502 -3.678 -23.742 1.00 0.00 C ATOM 1401 CD2 TYR A 93 15.673 -2.110 -25.411 1.00 0.00 C ATOM 1402 CE1 TYR A 93 17.151 -4.414 -24.749 1.00 0.00 C ATOM 1403 CE2 TYR A 93 16.312 -2.844 -26.425 1.00 0.00 C ATOM 1404 CZ TYR A 93 17.061 -3.999 -26.098 1.00 0.00 C ATOM 1405 OH TYR A 93 17.690 -4.722 -27.067 1.00 0.00 O ATOM 0 H TYR A 93 17.356 0.087 -23.551 1.00 0.00 H new ATOM 0 HA TYR A 93 15.195 -0.086 -21.609 1.00 0.00 H new ATOM 0 HB2 TYR A 93 14.711 -2.435 -22.221 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.167 -1.277 -23.417 1.00 0.00 H new ATOM 0 HD1 TYR A 93 16.564 -4.004 -22.714 1.00 0.00 H new ATOM 0 HD2 TYR A 93 15.103 -1.228 -25.664 1.00 0.00 H new ATOM 0 HE1 TYR A 93 17.718 -5.296 -24.492 1.00 0.00 H new ATOM 0 HE2 TYR A 93 16.231 -2.526 -27.454 1.00 0.00 H new ATOM 0 HH TYR A 93 17.531 -4.307 -27.940 1.00 0.00 H new ATOM 1415 N SER A 94 16.732 -1.539 -20.183 1.00 0.00 N ATOM 1416 CA SER A 94 17.668 -2.319 -19.387 1.00 0.00 C ATOM 1417 C SER A 94 17.607 -3.773 -19.859 1.00 0.00 C ATOM 1418 O SER A 94 16.519 -4.298 -20.109 1.00 0.00 O ATOM 1419 CB SER A 94 17.372 -2.165 -17.889 1.00 0.00 C ATOM 1420 OG SER A 94 16.138 -2.731 -17.497 1.00 0.00 O ATOM 0 H SER A 94 15.884 -1.258 -19.690 1.00 0.00 H new ATOM 0 HA SER A 94 18.686 -1.954 -19.527 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.175 -2.632 -17.318 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.374 -1.105 -17.633 1.00 0.00 H new ATOM 0 HG SER A 94 15.444 -2.483 -18.144 1.00 0.00 H new ATOM 1426 N MET A 95 18.754 -4.450 -19.955 1.00 0.00 N ATOM 1427 CA MET A 95 18.770 -5.887 -20.223 1.00 0.00 C ATOM 1428 C MET A 95 18.149 -6.645 -19.038 1.00 0.00 C ATOM 1429 O MET A 95 17.459 -7.646 -19.235 1.00 0.00 O ATOM 1430 CB MET A 95 20.215 -6.338 -20.498 1.00 0.00 C ATOM 1431 CG MET A 95 20.295 -7.800 -20.953 1.00 0.00 C ATOM 1432 SD MET A 95 21.974 -8.350 -21.367 1.00 0.00 S ATOM 1433 CE MET A 95 21.620 -10.067 -21.835 1.00 0.00 C ATOM 0 H MET A 95 19.677 -4.028 -19.852 1.00 0.00 H new ATOM 0 HA MET A 95 18.172 -6.111 -21.106 1.00 0.00 H new ATOM 0 HB2 MET A 95 20.653 -5.698 -21.264 1.00 0.00 H new ATOM 0 HB3 MET A 95 20.811 -6.208 -19.595 1.00 0.00 H new ATOM 0 HG2 MET A 95 19.898 -8.438 -20.163 1.00 0.00 H new ATOM 0 HG3 MET A 95 19.654 -7.935 -21.824 1.00 0.00 H new ATOM 0 HE1 MET A 95 22.546 -10.564 -22.122 1.00 0.00 H new ATOM 0 HE2 MET A 95 21.174 -10.590 -20.989 1.00 0.00 H new ATOM 0 HE3 MET A 95 20.926 -10.079 -22.675 1.00 0.00 H new ATOM 1443 N ALA A 96 18.389 -6.165 -17.811 1.00 0.00 N ATOM 1444 CA ALA A 96 17.993 -6.853 -16.589 1.00 0.00 C ATOM 1445 C ALA A 96 16.494 -6.726 -16.282 1.00 0.00 C ATOM 1446 O ALA A 96 15.925 -7.678 -15.741 1.00 0.00 O ATOM 1447 CB ALA A 96 18.815 -6.304 -15.418 1.00 0.00 C ATOM 0 H ALA A 96 18.868 -5.280 -17.644 1.00 0.00 H new ATOM 0 HA ALA A 96 18.189 -7.915 -16.735 1.00 0.00 H new ATOM 0 HB1 ALA A 96 18.525 -6.814 -14.499 1.00 0.00 H new ATOM 0 HB2 ALA A 96 19.875 -6.472 -15.607 1.00 0.00 H new ATOM 0 HB3 ALA A 96 18.630 -5.235 -15.314 1.00 0.00 H new ATOM 1453 N TYR A 97 15.850 -5.600 -16.620 1.00 0.00 N ATOM 1454 CA TYR A 97 14.485 -5.296 -16.169 1.00 0.00 C ATOM 1455 C TYR A 97 13.573 -4.779 -17.293 1.00 0.00 C ATOM 1456 O TYR A 97 12.401 -4.491 -17.036 1.00 0.00 O ATOM 1457 CB TYR A 97 14.541 -4.292 -15.000 1.00 0.00 C ATOM 1458 CG TYR A 97 15.570 -4.598 -13.924 1.00 0.00 C ATOM 1459 CD1 TYR A 97 15.405 -5.718 -13.087 1.00 0.00 C ATOM 1460 CD2 TYR A 97 16.706 -3.777 -13.780 1.00 0.00 C ATOM 1461 CE1 TYR A 97 16.372 -6.023 -12.113 1.00 0.00 C ATOM 1462 CE2 TYR A 97 17.676 -4.070 -12.803 1.00 0.00 C ATOM 1463 CZ TYR A 97 17.512 -5.198 -11.965 1.00 0.00 C ATOM 1464 OH TYR A 97 18.444 -5.512 -11.021 1.00 0.00 O ATOM 0 H TYR A 97 16.259 -4.877 -17.212 1.00 0.00 H new ATOM 0 HA TYR A 97 14.039 -6.232 -15.833 1.00 0.00 H new ATOM 0 HB2 TYR A 97 14.747 -3.301 -15.404 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.556 -4.247 -14.535 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.532 -6.345 -13.194 1.00 0.00 H new ATOM 0 HD2 TYR A 97 16.833 -2.918 -14.423 1.00 0.00 H new ATOM 0 HE1 TYR A 97 16.245 -6.887 -11.478 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.543 -3.435 -12.693 1.00 0.00 H new ATOM 0 HH TYR A 97 19.167 -4.851 -11.043 1.00 0.00 H new ATOM 1474 N GLY A 98 14.066 -4.680 -18.532 1.00 0.00 N ATOM 1475 CA GLY A 98 13.300 -4.179 -19.666 1.00 0.00 C ATOM 1476 C GLY A 98 13.237 -2.648 -19.682 1.00 0.00 C ATOM 1477 O GLY A 98 13.908 -1.985 -18.878 1.00 0.00 O ATOM 0 H GLY A 98 15.020 -4.950 -18.773 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.750 -4.533 -20.593 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.289 -4.584 -19.628 1.00 0.00 H new ATOM 1481 N PRO A 99 12.473 -2.062 -20.621 1.00 0.00 N ATOM 1482 CA PRO A 99 12.290 -0.622 -20.698 1.00 0.00 C ATOM 1483 C PRO A 99 11.478 -0.129 -19.501 1.00 0.00 C ATOM 1484 O PRO A 99 10.481 -0.743 -19.107 1.00 0.00 O ATOM 1485 CB PRO A 99 11.557 -0.360 -22.018 1.00 0.00 C ATOM 1486 CG PRO A 99 10.810 -1.665 -22.288 1.00 0.00 C ATOM 1487 CD PRO A 99 11.703 -2.736 -21.659 1.00 0.00 C ATOM 0 HA PRO A 99 13.240 -0.088 -20.671 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.871 0.483 -21.934 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.254 -0.125 -22.822 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.817 -1.658 -21.838 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.675 -1.834 -23.356 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.105 -3.544 -21.238 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.361 -3.182 -22.405 1.00 0.00 H new ATOM 1495 N ALA A 100 11.900 0.999 -18.933 1.00 0.00 N ATOM 1496 CA ALA A 100 11.122 1.717 -17.938 1.00 0.00 C ATOM 1497 C ALA A 100 9.939 2.430 -18.604 1.00 0.00 C ATOM 1498 O ALA A 100 9.871 2.560 -19.829 1.00 0.00 O ATOM 1499 CB ALA A 100 12.023 2.765 -17.292 1.00 0.00 C ATOM 0 H ALA A 100 12.794 1.438 -19.154 1.00 0.00 H new ATOM 0 HA ALA A 100 10.743 1.015 -17.195 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.458 3.317 -16.540 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.872 2.273 -16.819 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.383 3.455 -18.055 1.00 0.00 H new ATOM 1505 N GLN A 101 9.026 2.952 -17.780 1.00 0.00 N ATOM 1506 CA GLN A 101 7.973 3.856 -18.222 1.00 0.00 C ATOM 1507 C GLN A 101 8.614 5.240 -18.373 1.00 0.00 C ATOM 1508 O GLN A 101 8.403 6.116 -17.539 1.00 0.00 O ATOM 1509 CB GLN A 101 6.799 3.864 -17.223 1.00 0.00 C ATOM 1510 CG GLN A 101 5.971 2.576 -17.288 1.00 0.00 C ATOM 1511 CD GLN A 101 4.870 2.566 -16.226 1.00 0.00 C ATOM 1512 OE1 GLN A 101 5.001 1.942 -15.176 1.00 0.00 O ATOM 1513 NE2 GLN A 101 3.766 3.258 -16.462 1.00 0.00 N ATOM 0 H GLN A 101 9.001 2.754 -16.780 1.00 0.00 H new ATOM 0 HA GLN A 101 7.549 3.535 -19.174 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.186 3.994 -16.212 1.00 0.00 H new ATOM 0 HB3 GLN A 101 6.155 4.718 -17.430 1.00 0.00 H new ATOM 0 HG2 GLN A 101 5.525 2.478 -18.278 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.624 1.715 -17.146 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.664 3.774 -17.336 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.017 3.275 -15.770 1.00 0.00 H new ATOM 1522 N HIS A 102 9.440 5.436 -19.405 1.00 0.00 N ATOM 1523 CA HIS A 102 10.192 6.674 -19.626 1.00 0.00 C ATOM 1524 C HIS A 102 9.297 7.921 -19.714 1.00 0.00 C ATOM 1525 O HIS A 102 9.783 9.031 -19.498 1.00 0.00 O ATOM 1526 CB HIS A 102 11.044 6.545 -20.893 1.00 0.00 C ATOM 1527 CG HIS A 102 11.978 5.364 -20.882 1.00 0.00 C ATOM 1528 ND1 HIS A 102 11.880 4.221 -21.647 1.00 0.00 N ATOM 1529 CD2 HIS A 102 13.042 5.193 -20.041 1.00 0.00 C ATOM 1530 CE1 HIS A 102 12.860 3.386 -21.260 1.00 0.00 C ATOM 1531 NE2 HIS A 102 13.608 3.941 -20.296 1.00 0.00 N ATOM 0 H HIS A 102 9.607 4.729 -20.121 1.00 0.00 H new ATOM 0 HA HIS A 102 10.832 6.814 -18.755 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.384 6.466 -21.757 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.628 7.456 -21.021 1.00 0.00 H new ATOM 0 HD1 HIS A 102 11.189 4.041 -22.375 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.386 5.904 -19.305 1.00 0.00 H new ATOM 0 HE1 HIS A 102 13.023 2.400 -21.671 1.00 0.00 H new ATOM 1539 N ALA A 103 7.997 7.750 -19.982 1.00 0.00 N ATOM 1540 CA ALA A 103 7.005 8.813 -19.882 1.00 0.00 C ATOM 1541 C ALA A 103 7.034 9.479 -18.495 1.00 0.00 C ATOM 1542 O ALA A 103 6.905 10.700 -18.394 1.00 0.00 O ATOM 1543 CB ALA A 103 5.616 8.226 -20.159 1.00 0.00 C ATOM 0 H ALA A 103 7.605 6.856 -20.278 1.00 0.00 H new ATOM 0 HA ALA A 103 7.238 9.581 -20.619 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.867 9.014 -20.086 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.595 7.797 -21.161 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.397 7.449 -19.427 1.00 0.00 H new ATOM 1549 N ILE A 104 7.227 8.692 -17.430 1.00 0.00 N ATOM 1550 CA ILE A 104 7.329 9.178 -16.058 1.00 0.00 C ATOM 1551 C ILE A 104 8.538 10.101 -15.946 1.00 0.00 C ATOM 1552 O ILE A 104 8.429 11.168 -15.343 1.00 0.00 O ATOM 1553 CB ILE A 104 7.433 7.990 -15.068 1.00 0.00 C ATOM 1554 CG1 ILE A 104 6.218 7.038 -15.145 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.629 8.476 -13.621 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.919 7.633 -14.595 1.00 0.00 C ATOM 0 H ILE A 104 7.318 7.679 -17.505 1.00 0.00 H new ATOM 0 HA ILE A 104 6.432 9.740 -15.799 1.00 0.00 H new ATOM 0 HB ILE A 104 8.313 7.424 -15.373 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.061 6.750 -16.185 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.449 6.127 -14.594 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.698 7.616 -12.955 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.546 9.061 -13.555 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.782 9.096 -13.327 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.116 6.901 -14.686 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.054 7.894 -13.545 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.660 8.528 -15.161 1.00 0.00 H new ATOM 1568 N SER A 105 9.672 9.720 -16.536 1.00 0.00 N ATOM 1569 CA SER A 105 10.875 10.526 -16.533 1.00 0.00 C ATOM 1570 C SER A 105 10.593 11.886 -17.147 1.00 0.00 C ATOM 1571 O SER A 105 10.828 12.900 -16.496 1.00 0.00 O ATOM 1572 CB SER A 105 11.979 9.806 -17.300 1.00 0.00 C ATOM 1573 OG SER A 105 12.031 8.456 -16.887 1.00 0.00 O ATOM 0 H SER A 105 9.773 8.834 -17.031 1.00 0.00 H new ATOM 0 HA SER A 105 11.206 10.677 -15.505 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.790 9.863 -18.372 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.939 10.291 -17.120 1.00 0.00 H new ATOM 0 HG SER A 105 12.924 8.256 -16.535 1.00 0.00 H new ATOM 1579 N THR A 106 10.049 11.921 -18.364 1.00 0.00 N ATOM 1580 CA THR A 106 9.755 13.180 -19.028 1.00 0.00 C ATOM 1581 C THR A 106 8.756 14.015 -18.222 1.00 0.00 C ATOM 1582 O THR A 106 8.979 15.213 -18.071 1.00 0.00 O ATOM 1583 CB THR A 106 9.315 12.941 -20.483 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.467 11.819 -20.620 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.535 12.674 -21.370 1.00 0.00 C ATOM 0 H THR A 106 9.805 11.091 -18.905 1.00 0.00 H new ATOM 0 HA THR A 106 10.669 13.772 -19.075 1.00 0.00 H new ATOM 0 HB THR A 106 8.780 13.843 -20.782 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.976 11.676 -19.784 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.209 12.507 -22.397 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.204 13.534 -21.337 1.00 0.00 H new ATOM 0 HG23 THR A 106 11.062 11.791 -21.008 1.00 0.00 H new ATOM 1593 N GLU A 107 7.707 13.413 -17.650 1.00 0.00 N ATOM 1594 CA GLU A 107 6.729 14.137 -16.846 1.00 0.00 C ATOM 1595 C GLU A 107 7.402 14.780 -15.628 1.00 0.00 C ATOM 1596 O GLU A 107 7.248 15.981 -15.392 1.00 0.00 O ATOM 1597 CB GLU A 107 5.579 13.201 -16.422 1.00 0.00 C ATOM 1598 CG GLU A 107 4.556 13.020 -17.555 1.00 0.00 C ATOM 1599 CD GLU A 107 3.383 12.120 -17.126 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.489 12.592 -16.386 1.00 0.00 O ATOM 1601 OE2 GLU A 107 3.315 10.943 -17.548 1.00 0.00 O ATOM 0 H GLU A 107 7.517 12.414 -17.734 1.00 0.00 H new ATOM 0 HA GLU A 107 6.303 14.937 -17.452 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.984 12.230 -16.137 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.081 13.609 -15.542 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.174 13.995 -17.859 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.049 12.585 -18.424 1.00 0.00 H new ATOM 1608 N LYS A 108 8.175 14.004 -14.864 1.00 0.00 N ATOM 1609 CA LYS A 108 8.772 14.483 -13.621 1.00 0.00 C ATOM 1610 C LYS A 108 9.896 15.477 -13.890 1.00 0.00 C ATOM 1611 O LYS A 108 9.972 16.503 -13.214 1.00 0.00 O ATOM 1612 CB LYS A 108 9.274 13.294 -12.793 1.00 0.00 C ATOM 1613 CG LYS A 108 8.122 12.458 -12.225 1.00 0.00 C ATOM 1614 CD LYS A 108 8.660 11.309 -11.359 1.00 0.00 C ATOM 1615 CE LYS A 108 7.539 10.616 -10.572 1.00 0.00 C ATOM 1616 NZ LYS A 108 6.930 11.522 -9.568 1.00 0.00 N ATOM 0 H LYS A 108 8.401 13.035 -15.089 1.00 0.00 H new ATOM 0 HA LYS A 108 8.007 15.010 -13.051 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.908 12.662 -13.415 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.894 13.659 -11.974 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.465 13.092 -11.629 1.00 0.00 H new ATOM 0 HG3 LYS A 108 7.522 12.055 -13.041 1.00 0.00 H new ATOM 0 HD2 LYS A 108 9.163 10.580 -11.994 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.406 11.695 -10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.770 10.270 -11.263 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.938 9.734 -10.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.102 11.060 -9.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.627 11.738 -8.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 6.633 12.404 -10.032 1.00 0.00 H new ATOM 1630 N ILE A 109 10.754 15.216 -14.877 1.00 0.00 N ATOM 1631 CA ILE A 109 11.829 16.128 -15.253 1.00 0.00 C ATOM 1632 C ILE A 109 11.195 17.444 -15.728 1.00 0.00 C ATOM 1633 O ILE A 109 11.614 18.503 -15.269 1.00 0.00 O ATOM 1634 CB ILE A 109 12.762 15.458 -16.292 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.538 14.266 -15.670 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.788 16.439 -16.887 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.191 13.343 -16.710 1.00 0.00 C ATOM 0 H ILE A 109 10.721 14.364 -15.438 1.00 0.00 H new ATOM 0 HA ILE A 109 12.472 16.364 -14.405 1.00 0.00 H new ATOM 0 HB ILE A 109 12.106 15.107 -17.088 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.310 14.654 -15.006 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.854 13.680 -15.056 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.415 15.916 -17.609 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.265 17.255 -17.385 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.412 16.842 -16.089 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.715 12.534 -16.201 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.422 12.925 -17.359 1.00 0.00 H new ATOM 0 HD13 ILE A 109 14.900 13.914 -17.309 1.00 0.00 H new ATOM 1649 N LYS A 110 10.153 17.424 -16.571 1.00 0.00 N ATOM 1650 CA LYS A 110 9.503 18.668 -16.997 1.00 0.00 C ATOM 1651 C LYS A 110 8.883 19.407 -15.810 1.00 0.00 C ATOM 1652 O LYS A 110 8.936 20.632 -15.789 1.00 0.00 O ATOM 1653 CB LYS A 110 8.450 18.409 -18.086 1.00 0.00 C ATOM 1654 CG LYS A 110 9.112 18.107 -19.439 1.00 0.00 C ATOM 1655 CD LYS A 110 8.073 17.718 -20.497 1.00 0.00 C ATOM 1656 CE LYS A 110 8.788 17.455 -21.828 1.00 0.00 C ATOM 1657 NZ LYS A 110 7.861 17.061 -22.918 1.00 0.00 N ATOM 0 H LYS A 110 9.749 16.575 -16.965 1.00 0.00 H new ATOM 0 HA LYS A 110 10.277 19.306 -17.425 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.818 17.571 -17.792 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.801 19.279 -18.182 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.667 18.982 -19.777 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.833 17.298 -19.320 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.528 16.828 -20.180 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.340 18.516 -20.615 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.330 18.353 -22.126 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.529 16.668 -21.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.402 16.897 -23.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.362 16.189 -22.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.169 17.821 -23.077 1.00 0.00 H new ATOM 1671 N ALA A 111 8.327 18.705 -14.816 1.00 0.00 N ATOM 1672 CA ALA A 111 7.792 19.350 -13.620 1.00 0.00 C ATOM 1673 C ALA A 111 8.902 20.035 -12.805 1.00 0.00 C ATOM 1674 O ALA A 111 8.705 21.148 -12.314 1.00 0.00 O ATOM 1675 CB ALA A 111 7.040 18.326 -12.762 1.00 0.00 C ATOM 0 H ALA A 111 8.238 17.689 -14.820 1.00 0.00 H new ATOM 0 HA ALA A 111 7.094 20.126 -13.936 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.645 18.817 -11.873 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.218 17.902 -13.338 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.722 17.530 -12.464 1.00 0.00 H new ATOM 1681 N LYS A 112 10.059 19.381 -12.642 1.00 0.00 N ATOM 1682 CA LYS A 112 11.157 19.870 -11.797 1.00 0.00 C ATOM 1683 C LYS A 112 12.068 20.873 -12.523 1.00 0.00 C ATOM 1684 O LYS A 112 12.811 21.595 -11.859 1.00 0.00 O ATOM 1685 CB LYS A 112 11.964 18.668 -11.265 1.00 0.00 C ATOM 1686 CG LYS A 112 11.203 17.778 -10.263 1.00 0.00 C ATOM 1687 CD LYS A 112 11.346 18.176 -8.784 1.00 0.00 C ATOM 1688 CE LYS A 112 10.738 19.547 -8.451 1.00 0.00 C ATOM 1689 NZ LYS A 112 10.790 19.847 -6.998 1.00 0.00 N ATOM 0 H LYS A 112 10.261 18.490 -13.096 1.00 0.00 H new ATOM 0 HA LYS A 112 10.719 20.416 -10.962 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.278 18.055 -12.110 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.870 19.039 -10.786 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.145 17.790 -10.524 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.549 16.751 -10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.868 17.417 -8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.403 18.184 -8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.273 20.322 -8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.702 19.575 -8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.369 20.781 -6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.258 19.123 -6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.780 19.847 -6.679 1.00 0.00 H new ATOM 1703 N TYR A 113 12.024 20.919 -13.855 1.00 0.00 N ATOM 1704 CA TYR A 113 12.924 21.671 -14.727 1.00 0.00 C ATOM 1705 C TYR A 113 14.434 21.547 -14.398 1.00 0.00 C ATOM 1706 O TYR A 113 15.097 22.578 -14.248 1.00 0.00 O ATOM 1707 CB TYR A 113 12.457 23.136 -14.852 1.00 0.00 C ATOM 1708 CG TYR A 113 11.084 23.337 -15.463 1.00 0.00 C ATOM 1709 CD1 TYR A 113 10.921 23.231 -16.858 1.00 0.00 C ATOM 1710 CD2 TYR A 113 9.983 23.676 -14.652 1.00 0.00 C ATOM 1711 CE1 TYR A 113 9.664 23.456 -17.446 1.00 0.00 C ATOM 1712 CE2 TYR A 113 8.721 23.903 -15.230 1.00 0.00 C ATOM 1713 CZ TYR A 113 8.554 23.790 -16.631 1.00 0.00 C ATOM 1714 OH TYR A 113 7.327 24.017 -17.181 1.00 0.00 O ATOM 0 H TYR A 113 11.320 20.403 -14.383 1.00 0.00 H new ATOM 0 HA TYR A 113 12.850 21.194 -15.704 1.00 0.00 H new ATOM 0 HB2 TYR A 113 12.462 23.586 -13.859 1.00 0.00 H new ATOM 0 HB3 TYR A 113 13.185 23.681 -15.453 1.00 0.00 H new ATOM 0 HD1 TYR A 113 11.766 22.975 -17.479 1.00 0.00 H new ATOM 0 HD2 TYR A 113 10.108 23.762 -13.583 1.00 0.00 H new ATOM 0 HE1 TYR A 113 9.545 23.374 -18.516 1.00 0.00 H new ATOM 0 HE2 TYR A 113 7.880 24.163 -14.605 1.00 0.00 H new ATOM 0 HH TYR A 113 6.685 24.232 -16.472 1.00 0.00 H new ATOM 1724 N PRO A 114 15.031 20.337 -14.268 1.00 0.00 N ATOM 1725 CA PRO A 114 16.491 20.200 -14.203 1.00 0.00 C ATOM 1726 C PRO A 114 17.162 20.785 -15.462 1.00 0.00 C ATOM 1727 O PRO A 114 18.306 21.242 -15.409 1.00 0.00 O ATOM 1728 CB PRO A 114 16.785 18.697 -14.100 1.00 0.00 C ATOM 1729 CG PRO A 114 15.469 18.094 -13.625 1.00 0.00 C ATOM 1730 CD PRO A 114 14.429 19.017 -14.255 1.00 0.00 C ATOM 0 HA PRO A 114 16.888 20.746 -13.347 1.00 0.00 H new ATOM 0 HB2 PRO A 114 17.089 18.283 -15.061 1.00 0.00 H new ATOM 0 HB3 PRO A 114 17.593 18.496 -13.396 1.00 0.00 H new ATOM 0 HG2 PRO A 114 15.352 17.064 -13.960 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.397 18.086 -12.537 1.00 0.00 H new ATOM 0 HD2 PRO A 114 14.177 18.692 -15.264 1.00 0.00 H new ATOM 0 HD3 PRO A 114 13.504 19.015 -13.679 1.00 0.00 H new ATOM 1738 N ASP A 115 16.435 20.784 -16.583 1.00 0.00 N ATOM 1739 CA ASP A 115 16.748 21.452 -17.843 1.00 0.00 C ATOM 1740 C ASP A 115 15.418 21.964 -18.422 1.00 0.00 C ATOM 1741 O ASP A 115 14.348 21.619 -17.907 1.00 0.00 O ATOM 1742 CB ASP A 115 17.458 20.482 -18.805 1.00 0.00 C ATOM 1743 CG ASP A 115 17.934 21.157 -20.107 1.00 0.00 C ATOM 1744 OD1 ASP A 115 18.193 22.383 -20.105 1.00 0.00 O ATOM 1745 OD2 ASP A 115 18.071 20.451 -21.128 1.00 0.00 O ATOM 0 H ASP A 115 15.550 20.280 -16.634 1.00 0.00 H new ATOM 0 HA ASP A 115 17.432 22.287 -17.690 1.00 0.00 H new ATOM 0 HB2 ASP A 115 18.316 20.040 -18.298 1.00 0.00 H new ATOM 0 HB3 ASP A 115 16.780 19.666 -19.054 1.00 0.00 H new ATOM 1750 N TYR A 116 15.476 22.809 -19.452 1.00 0.00 N ATOM 1751 CA TYR A 116 14.333 23.517 -20.017 1.00 0.00 C ATOM 1752 C TYR A 116 13.227 22.563 -20.493 1.00 0.00 C ATOM 1753 O TYR A 116 12.050 22.822 -20.231 1.00 0.00 O ATOM 1754 CB TYR A 116 14.838 24.423 -21.149 1.00 0.00 C ATOM 1755 CG TYR A 116 13.752 25.101 -21.965 1.00 0.00 C ATOM 1756 CD1 TYR A 116 13.183 26.309 -21.521 1.00 0.00 C ATOM 1757 CD2 TYR A 116 13.313 24.521 -23.171 1.00 0.00 C ATOM 1758 CE1 TYR A 116 12.173 26.936 -22.276 1.00 0.00 C ATOM 1759 CE2 TYR A 116 12.307 25.141 -23.931 1.00 0.00 C ATOM 1760 CZ TYR A 116 11.728 26.351 -23.485 1.00 0.00 C ATOM 1761 OH TYR A 116 10.755 26.947 -24.231 1.00 0.00 O ATOM 0 H TYR A 116 16.351 23.025 -19.930 1.00 0.00 H new ATOM 0 HA TYR A 116 13.870 24.125 -19.240 1.00 0.00 H new ATOM 0 HB2 TYR A 116 15.481 25.191 -20.719 1.00 0.00 H new ATOM 0 HB3 TYR A 116 15.457 23.828 -21.820 1.00 0.00 H new ATOM 0 HD1 TYR A 116 13.522 26.757 -20.598 1.00 0.00 H new ATOM 0 HD2 TYR A 116 13.752 23.595 -23.513 1.00 0.00 H new ATOM 0 HE1 TYR A 116 11.738 27.863 -21.932 1.00 0.00 H new ATOM 0 HE2 TYR A 116 11.976 24.693 -24.856 1.00 0.00 H new ATOM 0 HH TYR A 116 10.577 26.406 -25.028 1.00 0.00 H new ATOM 1771 N GLU A 117 13.575 21.458 -21.159 1.00 0.00 N ATOM 1772 CA GLU A 117 12.626 20.460 -21.646 1.00 0.00 C ATOM 1773 C GLU A 117 13.355 19.115 -21.783 1.00 0.00 C ATOM 1774 O GLU A 117 14.578 19.053 -21.656 1.00 0.00 O ATOM 1775 CB GLU A 117 12.035 20.948 -22.988 1.00 0.00 C ATOM 1776 CG GLU A 117 10.715 20.269 -23.379 1.00 0.00 C ATOM 1777 CD GLU A 117 10.076 20.945 -24.606 1.00 0.00 C ATOM 1778 OE1 GLU A 117 10.518 20.694 -25.749 1.00 0.00 O ATOM 1779 OE2 GLU A 117 9.103 21.717 -24.439 1.00 0.00 O ATOM 0 H GLU A 117 14.545 21.230 -21.378 1.00 0.00 H new ATOM 0 HA GLU A 117 11.799 20.322 -20.950 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.874 22.024 -22.931 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.766 20.777 -23.778 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.896 19.216 -23.595 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.022 20.307 -22.539 1.00 0.00 H new ATOM 1786 N VAL A 118 12.619 18.037 -22.063 1.00 0.00 N ATOM 1787 CA VAL A 118 13.140 16.711 -22.385 1.00 0.00 C ATOM 1788 C VAL A 118 12.154 16.010 -23.324 1.00 0.00 C ATOM 1789 O VAL A 118 11.017 16.458 -23.474 1.00 0.00 O ATOM 1790 CB VAL A 118 13.396 15.867 -21.115 1.00 0.00 C ATOM 1791 CG1 VAL A 118 14.730 16.226 -20.450 1.00 0.00 C ATOM 1792 CG2 VAL A 118 12.268 15.954 -20.078 1.00 0.00 C ATOM 0 H VAL A 118 11.600 18.068 -22.071 1.00 0.00 H new ATOM 0 HA VAL A 118 14.105 16.822 -22.880 1.00 0.00 H new ATOM 0 HB VAL A 118 13.434 14.837 -21.470 1.00 0.00 H new ATOM 0 HG11 VAL A 118 14.871 15.610 -19.562 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.546 16.045 -21.150 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.723 17.278 -20.165 1.00 0.00 H new ATOM 0 HG21 VAL A 118 12.518 15.336 -19.215 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.145 16.989 -19.760 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.338 15.598 -20.521 1.00 0.00 H new ATOM 1802 N THR A 119 12.571 14.899 -23.928 1.00 0.00 N ATOM 1803 CA THR A 119 11.750 14.075 -24.811 1.00 0.00 C ATOM 1804 C THR A 119 12.063 12.596 -24.539 1.00 0.00 C ATOM 1805 O THR A 119 13.026 12.284 -23.831 1.00 0.00 O ATOM 1806 CB THR A 119 11.999 14.485 -26.279 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.378 14.733 -26.536 1.00 0.00 O ATOM 1808 CG2 THR A 119 11.229 15.744 -26.676 1.00 0.00 C ATOM 0 H THR A 119 13.518 14.537 -23.813 1.00 0.00 H new ATOM 0 HA THR A 119 10.688 14.227 -24.618 1.00 0.00 H new ATOM 0 HB THR A 119 11.649 13.638 -26.869 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.821 13.894 -26.783 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.441 15.987 -27.717 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.160 15.570 -26.554 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.536 16.574 -26.040 1.00 0.00 H new ATOM 1816 N TRP A 120 11.271 11.671 -25.088 1.00 0.00 N ATOM 1817 CA TRP A 120 11.564 10.245 -25.011 1.00 0.00 C ATOM 1818 C TRP A 120 11.114 9.542 -26.282 1.00 0.00 C ATOM 1819 O TRP A 120 10.354 10.107 -27.077 1.00 0.00 O ATOM 1820 CB TRP A 120 10.893 9.592 -23.787 1.00 0.00 C ATOM 1821 CG TRP A 120 9.405 9.392 -23.843 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.469 10.366 -23.849 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.656 8.137 -23.887 1.00 0.00 C ATOM 1824 NE1 TRP A 120 7.207 9.811 -23.858 1.00 0.00 N ATOM 1825 CE2 TRP A 120 7.261 8.434 -23.862 1.00 0.00 C ATOM 1826 CE3 TRP A 120 9.017 6.773 -23.935 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.279 7.432 -23.851 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 8.043 5.758 -23.882 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.676 6.084 -23.843 1.00 0.00 C ATOM 0 H TRP A 120 10.414 11.892 -25.595 1.00 0.00 H new ATOM 0 HA TRP A 120 12.643 10.138 -24.902 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.358 8.620 -23.626 1.00 0.00 H new ATOM 0 HB3 TRP A 120 11.119 10.202 -22.913 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.679 11.425 -23.847 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.342 10.352 -23.861 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.060 6.503 -24.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 5.231 7.693 -23.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 8.348 4.722 -23.871 1.00 0.00 H new ATOM 0 HH2 TRP A 120 5.933 5.301 -23.807 1.00 0.00 H new ATOM 1840 N ALA A 121 11.561 8.298 -26.447 1.00 0.00 N ATOM 1841 CA ALA A 121 11.079 7.389 -27.468 1.00 0.00 C ATOM 1842 C ALA A 121 11.190 5.973 -26.911 1.00 0.00 C ATOM 1843 O ALA A 121 12.164 5.640 -26.232 1.00 0.00 O ATOM 1844 CB ALA A 121 11.910 7.528 -28.751 1.00 0.00 C ATOM 0 H ALA A 121 12.286 7.891 -25.856 1.00 0.00 H new ATOM 0 HA ALA A 121 10.045 7.619 -27.723 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.533 6.838 -29.505 1.00 0.00 H new ATOM 0 HB2 ALA A 121 11.835 8.549 -29.124 1.00 0.00 H new ATOM 0 HB3 ALA A 121 12.953 7.296 -28.536 1.00 0.00 H new ATOM 1850 N ASN A 122 10.209 5.128 -27.225 1.00 0.00 N ATOM 1851 CA ASN A 122 10.185 3.721 -26.831 1.00 0.00 C ATOM 1852 C ASN A 122 10.966 2.892 -27.860 1.00 0.00 C ATOM 1853 O ASN A 122 10.438 1.957 -28.466 1.00 0.00 O ATOM 1854 CB ASN A 122 8.731 3.254 -26.670 1.00 0.00 C ATOM 1855 CG ASN A 122 8.646 1.830 -26.117 1.00 0.00 C ATOM 1856 OD1 ASN A 122 9.474 1.404 -25.315 1.00 0.00 O ATOM 1857 ND2 ASN A 122 7.642 1.065 -26.516 1.00 0.00 N ATOM 0 H ASN A 122 9.394 5.408 -27.770 1.00 0.00 H new ATOM 0 HA ASN A 122 10.672 3.584 -25.866 1.00 0.00 H new ATOM 0 HB2 ASN A 122 8.203 3.935 -26.002 1.00 0.00 H new ATOM 0 HB3 ASN A 122 8.226 3.299 -27.635 1.00 0.00 H new ATOM 0 HD21 ASN A 122 7.551 0.114 -26.157 1.00 0.00 H new ATOM 0 HD22 ASN A 122 6.959 1.426 -27.182 1.00 0.00 H new ATOM 1864 N ASP A 123 12.200 3.310 -28.146 1.00 0.00 N ATOM 1865 CA ASP A 123 13.040 2.790 -29.225 1.00 0.00 C ATOM 1866 C ASP A 123 14.510 2.854 -28.786 1.00 0.00 C ATOM 1867 O ASP A 123 14.799 3.216 -27.640 1.00 0.00 O ATOM 1868 CB ASP A 123 12.770 3.590 -30.515 1.00 0.00 C ATOM 1869 CG ASP A 123 13.116 2.778 -31.775 1.00 0.00 C ATOM 1870 OD1 ASP A 123 14.289 2.786 -32.211 1.00 0.00 O ATOM 1871 OD2 ASP A 123 12.214 2.120 -32.341 1.00 0.00 O ATOM 0 H ASP A 123 12.659 4.048 -27.612 1.00 0.00 H new ATOM 0 HA ASP A 123 12.803 1.747 -29.438 1.00 0.00 H new ATOM 0 HB2 ASP A 123 11.720 3.882 -30.548 1.00 0.00 H new ATOM 0 HB3 ASP A 123 13.357 4.509 -30.502 1.00 0.00 H new ATOM 1876 N GLY A 124 15.448 2.503 -29.667 1.00 0.00 N ATOM 1877 CA GLY A 124 16.850 2.316 -29.323 1.00 0.00 C ATOM 1878 C GLY A 124 17.037 1.086 -28.431 1.00 0.00 C ATOM 1879 O GLY A 124 16.174 0.205 -28.362 1.00 0.00 O ATOM 0 H GLY A 124 15.247 2.339 -30.654 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.439 2.203 -30.233 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.223 3.202 -28.810 1.00 0.00 H new ATOM 1883 N TYR A 125 18.178 1.032 -27.748 1.00 0.00 N ATOM 1884 CA TYR A 125 18.520 0.041 -26.737 1.00 0.00 C ATOM 1885 C TYR A 125 19.292 0.782 -25.654 1.00 0.00 C ATOM 1886 O TYR A 125 19.144 0.420 -24.470 1.00 0.00 O ATOM 1887 CB TYR A 125 19.335 -1.115 -27.336 1.00 0.00 C ATOM 1888 CG TYR A 125 20.693 -0.732 -27.903 1.00 0.00 C ATOM 1889 CD1 TYR A 125 20.804 -0.276 -29.231 1.00 0.00 C ATOM 1890 CD2 TYR A 125 21.846 -0.827 -27.099 1.00 0.00 C ATOM 1891 CE1 TYR A 125 22.058 0.087 -29.756 1.00 0.00 C ATOM 1892 CE2 TYR A 125 23.103 -0.470 -27.617 1.00 0.00 C ATOM 1893 CZ TYR A 125 23.215 -0.010 -28.949 1.00 0.00 C ATOM 1894 OH TYR A 125 24.438 0.346 -29.436 1.00 0.00 O ATOM 1895 OXT TYR A 125 19.981 1.766 -26.005 1.00 0.00 O ATOM 0 H TYR A 125 18.924 1.712 -27.893 1.00 0.00 H new ATOM 0 HA TYR A 125 17.625 -0.421 -26.321 1.00 0.00 H new ATOM 0 HB2 TYR A 125 19.483 -1.871 -26.564 1.00 0.00 H new ATOM 0 HB3 TYR A 125 18.747 -1.579 -28.128 1.00 0.00 H new ATOM 0 HD1 TYR A 125 19.922 -0.205 -29.850 1.00 0.00 H new ATOM 0 HD2 TYR A 125 21.764 -1.176 -26.080 1.00 0.00 H new ATOM 0 HE1 TYR A 125 22.137 0.439 -30.774 1.00 0.00 H new ATOM 0 HE2 TYR A 125 23.984 -0.547 -26.997 1.00 0.00 H new ATOM 0 HH TYR A 125 25.117 0.215 -28.742 1.00 0.00 H new TER 1905 TYR A 125