USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 820 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 102 THR OG1 : rot -118:sc= 0.797 USER MOD Set 1.2: A 103 ASN : amide:sc= -4.52! K(o=-3.7!,f=-0.94) USER MOD Set 2.1: A 67 TYR OH : rot 72:sc= 0.886 USER MOD Set 2.2: A 80 MET CE :methyl 139:sc= -0.155 (180deg=-1.13) USER MOD Set 3.1: A 52 ASN : amide:sc= -0.544 K(o=-0.54,f=-3.5!) USER MOD Set 3.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 42 GLN : amide:sc= -0.323 K(o=0.39,f=-12!) USER MOD Set 4.2: A 55 LYS NZ :NH3+ 173:sc= 0.715 (180deg=0) USER MOD Set 5.1: A 31 ASN : amide:sc= -3.98 K(o=-12,f=-24!) USER MOD Set 5.2: A 33 HIS : no HD1:sc= -7.93! C(o=-12!,f=-20!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -157:sc= -0.0343 (180deg=-0.296) USER MOD Single : A 12 GLN : amide:sc= -2.22! C(o=-2.2!,f=-4.1!) USER MOD Single : A 13 LYS NZ :NH3+ 146:sc= 0.0877 (180deg=-0.143) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0369 USER MOD Single : A 16 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.63) USER MOD Single : A 17 CYS SG : rot 180:sc=-0.00695 USER MOD Single : A 18 HIS : no HD1:sc= -2.11 K(o=-2.1,f=-1.3) USER MOD Single : A 19 THR OG1 : rot -145:sc= 0.454 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -0.0328 K(o=-0.033,f=-2) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= -0.0292 (180deg=-0.279) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 89:sc= -0.558 USER MOD Single : A 47 THR OG1 : rot 25:sc= 0.0618 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 49 THR OG1 : rot 139:sc= -0.208 USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= -0.0361 (180deg=-0.32) USER MOD Single : A 54 ASN : amide:sc= -10.6! C(o=-11!,f=-4.5!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.471 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 81:sc= -3.28! USER MOD Single : A 65 MET CE :methyl -174:sc= 0 (180deg=-0.0167) USER MOD Single : A 70 ASN : amide:sc= -7.81! K(o=-7.8!,f=-1.5) USER MOD Single : A 72 LYS NZ :NH3+ -148:sc= -4.08! (180deg=-6.47!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 145:sc= 0.0251 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.603 8.432 -8.864 1.00 0.00 N ATOM 11 CA ASP A 2 74.072 7.650 -9.976 1.00 0.00 C ATOM 12 C ASP A 2 74.421 6.177 -9.815 1.00 0.00 C ATOM 13 O ASP A 2 75.427 5.706 -10.342 1.00 0.00 O ATOM 14 CB ASP A 2 74.643 8.165 -11.297 1.00 0.00 C ATOM 15 CG ASP A 2 74.097 9.557 -11.595 1.00 0.00 C ATOM 16 OD1 ASP A 2 72.920 9.657 -11.899 1.00 0.00 O1- ATOM 17 OD2 ASP A 2 74.864 10.502 -11.516 1.00 0.00 O ATOM 0 HA ASP A 2 72.987 7.756 -9.980 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.731 8.196 -11.245 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.382 7.482 -12.106 1.00 0.00 H new ATOM 22 N VAL A 3 73.578 5.454 -9.089 1.00 0.00 N ATOM 23 CA VAL A 3 73.800 4.032 -8.868 1.00 0.00 C ATOM 24 C VAL A 3 74.164 3.346 -10.181 1.00 0.00 C ATOM 25 O VAL A 3 74.743 2.259 -10.186 1.00 0.00 O ATOM 26 CB VAL A 3 72.537 3.395 -8.285 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.338 3.725 -9.178 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.713 1.877 -8.211 1.00 0.00 C ATOM 0 H VAL A 3 72.739 5.827 -8.645 1.00 0.00 H new ATOM 0 HA VAL A 3 74.624 3.909 -8.165 1.00 0.00 H new ATOM 0 HB VAL A 3 72.365 3.789 -7.283 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.439 3.271 -8.762 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.209 4.806 -9.228 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.512 3.333 -10.180 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.812 1.426 -7.795 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.888 1.482 -9.212 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.565 1.640 -7.573 1.00 0.00 H new ATOM 38 N GLU A 4 73.819 3.988 -11.293 1.00 0.00 N ATOM 39 CA GLU A 4 74.112 3.428 -12.608 1.00 0.00 C ATOM 40 C GLU A 4 75.602 3.528 -12.913 1.00 0.00 C ATOM 41 O GLU A 4 76.268 2.518 -13.149 1.00 0.00 O ATOM 42 CB GLU A 4 73.317 4.173 -13.683 1.00 0.00 C ATOM 43 CG GLU A 4 71.846 3.757 -13.611 1.00 0.00 C ATOM 44 CD GLU A 4 71.669 2.367 -14.212 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.942 2.214 -15.392 1.00 0.00 O ATOM 46 OE2 GLU A 4 71.265 1.475 -13.484 1.00 0.00 O1- ATOM 0 H GLU A 4 73.340 4.889 -11.311 1.00 0.00 H new ATOM 0 HA GLU A 4 73.823 2.377 -12.607 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.409 5.249 -13.538 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.721 3.949 -14.670 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.509 3.760 -12.575 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.229 4.477 -14.149 1.00 0.00 H new ATOM 53 N LYS A 5 76.125 4.747 -12.898 1.00 0.00 N ATOM 54 CA LYS A 5 77.539 4.956 -13.169 1.00 0.00 C ATOM 55 C LYS A 5 78.364 4.431 -12.005 1.00 0.00 C ATOM 56 O LYS A 5 79.552 4.140 -12.150 1.00 0.00 O ATOM 57 CB LYS A 5 77.829 6.449 -13.384 1.00 0.00 C ATOM 58 CG LYS A 5 77.511 6.852 -14.834 1.00 0.00 C ATOM 59 CD LYS A 5 76.008 7.129 -14.991 1.00 0.00 C ATOM 60 CE LYS A 5 75.700 8.576 -14.594 1.00 0.00 C ATOM 61 NZ LYS A 5 74.254 8.857 -14.825 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.597 5.598 -12.703 1.00 0.00 H new ATOM 0 HA LYS A 5 77.808 4.416 -14.077 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.231 7.045 -12.694 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.875 6.659 -13.162 1.00 0.00 H new ATOM 0 HG2 LYS A 5 78.082 7.740 -15.106 1.00 0.00 H new ATOM 0 HG3 LYS A 5 77.815 6.057 -15.515 1.00 0.00 H new ATOM 0 HD2 LYS A 5 75.703 6.953 -16.022 1.00 0.00 H new ATOM 0 HD3 LYS A 5 75.436 6.442 -14.368 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.950 8.738 -13.545 1.00 0.00 H new ATOM 0 HE3 LYS A 5 76.313 9.263 -15.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 74.044 9.839 -14.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 74.030 8.718 -15.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 73.678 8.210 -14.250 1.00 0.00 H new ATOM 75 N GLY A 6 77.719 4.289 -10.854 1.00 0.00 N ATOM 76 CA GLY A 6 78.399 3.771 -9.679 1.00 0.00 C ATOM 77 C GLY A 6 78.694 2.296 -9.885 1.00 0.00 C ATOM 78 O GLY A 6 79.736 1.789 -9.471 1.00 0.00 O ATOM 0 H GLY A 6 76.736 4.523 -10.712 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.325 4.319 -9.509 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.779 3.910 -8.794 1.00 0.00 H new ATOM 82 N LYS A 7 77.765 1.621 -10.553 1.00 0.00 N ATOM 83 CA LYS A 7 77.924 0.207 -10.842 1.00 0.00 C ATOM 84 C LYS A 7 79.063 0.009 -11.836 1.00 0.00 C ATOM 85 O LYS A 7 79.881 -0.894 -11.682 1.00 0.00 O ATOM 86 CB LYS A 7 76.627 -0.357 -11.428 1.00 0.00 C ATOM 87 CG LYS A 7 76.711 -1.885 -11.486 1.00 0.00 C ATOM 88 CD LYS A 7 75.614 -2.428 -12.410 1.00 0.00 C ATOM 89 CE LYS A 7 75.939 -2.092 -13.872 1.00 0.00 C ATOM 90 NZ LYS A 7 75.364 -3.143 -14.758 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.899 2.031 -10.902 1.00 0.00 H new ATOM 0 HA LYS A 7 78.156 -0.320 -9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.777 -0.052 -10.817 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.462 0.046 -12.427 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.692 -2.191 -11.850 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.598 -2.303 -10.486 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.527 -3.508 -12.288 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.651 -1.997 -12.136 1.00 0.00 H new ATOM 0 HE2 LYS A 7 75.529 -1.116 -14.133 1.00 0.00 H new ATOM 0 HE3 LYS A 7 77.018 -2.032 -14.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.582 -2.919 -15.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 75.775 -4.066 -14.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 74.333 -3.179 -14.630 1.00 0.00 H new ATOM 104 N LYS A 8 79.112 0.867 -12.853 1.00 0.00 N ATOM 105 CA LYS A 8 80.162 0.774 -13.863 1.00 0.00 C ATOM 106 C LYS A 8 81.540 0.913 -13.218 1.00 0.00 C ATOM 107 O LYS A 8 82.449 0.121 -13.482 1.00 0.00 O ATOM 108 CB LYS A 8 79.972 1.875 -14.912 1.00 0.00 C ATOM 109 CG LYS A 8 81.118 1.827 -15.938 1.00 0.00 C ATOM 110 CD LYS A 8 82.160 2.907 -15.615 1.00 0.00 C ATOM 111 CE LYS A 8 81.710 4.249 -16.196 1.00 0.00 C ATOM 112 NZ LYS A 8 81.881 4.234 -17.677 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.445 1.625 -12.998 1.00 0.00 H new ATOM 0 HA LYS A 8 80.096 -0.202 -14.343 1.00 0.00 H new ATOM 0 HB2 LYS A 8 79.015 1.746 -15.417 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.948 2.851 -14.427 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.587 0.843 -15.926 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.724 1.980 -16.943 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.287 2.992 -14.536 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.128 2.627 -16.029 1.00 0.00 H new ATOM 0 HE2 LYS A 8 80.667 4.435 -15.942 1.00 0.00 H new ATOM 0 HE3 LYS A 8 82.294 5.060 -15.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 81.958 5.210 -18.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.745 3.709 -17.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 81.059 3.772 -18.117 1.00 0.00 H new ATOM 126 N ILE A 9 81.686 1.928 -12.376 1.00 0.00 N ATOM 127 CA ILE A 9 82.953 2.173 -11.699 1.00 0.00 C ATOM 128 C ILE A 9 83.275 1.052 -10.718 1.00 0.00 C ATOM 129 O ILE A 9 84.428 0.853 -10.348 1.00 0.00 O ATOM 130 CB ILE A 9 82.885 3.499 -10.945 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.618 4.637 -11.932 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.212 3.747 -10.230 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.181 5.887 -11.165 1.00 0.00 C ATOM 0 H ILE A 9 80.947 2.592 -12.146 1.00 0.00 H new ATOM 0 HA ILE A 9 83.740 2.212 -12.452 1.00 0.00 H new ATOM 0 HB ILE A 9 82.079 3.458 -10.213 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.517 4.849 -12.511 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.844 4.343 -12.641 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.164 4.694 -9.692 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.402 2.938 -9.525 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.018 3.787 -10.963 1.00 0.00 H new ATOM 0 HD11 ILE A 9 81.991 6.698 -11.868 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.271 5.671 -10.606 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.970 6.184 -10.474 1.00 0.00 H new ATOM 145 N PHE A 10 82.248 0.335 -10.287 1.00 0.00 N ATOM 146 CA PHE A 10 82.440 -0.752 -9.330 1.00 0.00 C ATOM 147 C PHE A 10 82.901 -2.037 -10.022 1.00 0.00 C ATOM 148 O PHE A 10 83.896 -2.638 -9.620 1.00 0.00 O ATOM 149 CB PHE A 10 81.128 -1.013 -8.578 1.00 0.00 C ATOM 150 CG PHE A 10 81.107 -2.436 -8.070 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.621 -3.461 -8.889 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.585 -2.730 -6.789 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.615 -4.782 -8.428 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.576 -4.051 -6.326 1.00 0.00 C ATOM 155 CZ PHE A 10 81.092 -5.078 -7.147 1.00 0.00 C ATOM 0 H PHE A 10 81.282 0.481 -10.579 1.00 0.00 H new ATOM 0 HA PHE A 10 83.218 -0.450 -8.629 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.031 -0.318 -7.744 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.278 -0.840 -9.238 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.250 -3.232 -9.877 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.961 -1.939 -6.158 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.242 -5.573 -9.061 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.942 -4.279 -5.336 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.087 -6.098 -6.791 1.00 0.00 H new ATOM 165 N VAL A 11 82.168 -2.460 -11.047 1.00 0.00 N ATOM 166 CA VAL A 11 82.508 -3.690 -11.764 1.00 0.00 C ATOM 167 C VAL A 11 83.935 -3.653 -12.280 1.00 0.00 C ATOM 168 O VAL A 11 84.584 -4.690 -12.412 1.00 0.00 O ATOM 169 CB VAL A 11 81.563 -3.896 -12.948 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.139 -4.090 -12.438 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.612 -2.669 -13.858 1.00 0.00 C ATOM 0 H VAL A 11 81.342 -1.977 -11.399 1.00 0.00 H new ATOM 0 HA VAL A 11 82.407 -4.515 -11.058 1.00 0.00 H new ATOM 0 HB VAL A 11 81.872 -4.779 -13.508 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.467 -4.237 -13.283 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.101 -4.964 -11.788 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.830 -3.208 -11.877 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.938 -2.815 -14.702 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.304 -1.787 -13.296 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.629 -2.529 -14.225 1.00 0.00 H new ATOM 181 N GLN A 12 84.410 -2.461 -12.604 1.00 0.00 N ATOM 182 CA GLN A 12 85.758 -2.321 -13.142 1.00 0.00 C ATOM 183 C GLN A 12 86.783 -1.958 -12.068 1.00 0.00 C ATOM 184 O GLN A 12 87.976 -2.207 -12.243 1.00 0.00 O ATOM 185 CB GLN A 12 85.763 -1.249 -14.228 1.00 0.00 C ATOM 186 CG GLN A 12 85.536 0.127 -13.599 1.00 0.00 C ATOM 187 CD GLN A 12 85.245 1.146 -14.694 1.00 0.00 C ATOM 188 OE1 GLN A 12 84.942 2.303 -14.406 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.322 0.780 -15.944 1.00 0.00 N ATOM 0 H GLN A 12 83.893 -1.587 -12.507 1.00 0.00 H new ATOM 0 HA GLN A 12 86.045 -3.288 -13.555 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.714 -1.263 -14.761 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.983 -1.457 -14.961 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.703 0.084 -12.897 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.416 0.429 -13.032 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.573 -0.180 -16.180 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.131 1.454 -16.685 1.00 0.00 H new ATOM 198 N LYS A 13 86.336 -1.335 -10.978 1.00 0.00 N ATOM 199 CA LYS A 13 87.269 -0.916 -9.926 1.00 0.00 C ATOM 200 C LYS A 13 87.288 -1.842 -8.702 1.00 0.00 C ATOM 201 O LYS A 13 88.326 -2.419 -8.382 1.00 0.00 O ATOM 202 CB LYS A 13 86.934 0.513 -9.483 1.00 0.00 C ATOM 203 CG LYS A 13 88.168 1.165 -8.842 1.00 0.00 C ATOM 204 CD LYS A 13 89.059 1.788 -9.927 1.00 0.00 C ATOM 205 CE LYS A 13 88.588 3.213 -10.229 1.00 0.00 C ATOM 206 NZ LYS A 13 89.038 4.126 -9.140 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.357 -1.112 -10.799 1.00 0.00 H new ATOM 0 HA LYS A 13 88.266 -0.967 -10.363 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.605 1.101 -10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.109 0.498 -8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 13 87.857 1.931 -8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 13 88.732 0.420 -8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 13 90.097 1.801 -9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 13 89.022 1.183 -10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 13 88.990 3.545 -11.186 1.00 0.00 H new ATOM 0 HE3 LYS A 13 87.502 3.238 -10.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 89.257 5.061 -9.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 88.283 4.220 -8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 89.889 3.735 -8.689 1.00 0.00 H new ATOM 220 N CYS A 14 86.169 -1.934 -7.980 1.00 0.00 N ATOM 221 CA CYS A 14 86.129 -2.741 -6.750 1.00 0.00 C ATOM 222 C CYS A 14 85.863 -4.228 -6.991 1.00 0.00 C ATOM 223 O CYS A 14 86.411 -5.072 -6.283 1.00 0.00 O ATOM 224 CB CYS A 14 85.066 -2.184 -5.796 1.00 0.00 C ATOM 225 SG CYS A 14 84.991 -0.375 -5.933 1.00 0.00 S ATOM 0 H CYS A 14 85.292 -1.471 -8.216 1.00 0.00 H new ATOM 0 HA CYS A 14 87.124 -2.669 -6.311 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.093 -2.615 -6.032 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.301 -2.469 -4.771 1.00 0.00 H new ATOM 0 HG CYS A 14 84.085 0.084 -5.122 1.00 0.00 H new ATOM 230 N ALA A 15 85.022 -4.556 -7.956 1.00 0.00 N ATOM 231 CA ALA A 15 84.710 -5.960 -8.215 1.00 0.00 C ATOM 232 C ALA A 15 85.986 -6.795 -8.276 1.00 0.00 C ATOM 233 O ALA A 15 85.970 -7.992 -7.994 1.00 0.00 O ATOM 234 CB ALA A 15 83.949 -6.092 -9.533 1.00 0.00 C ATOM 0 H ALA A 15 84.549 -3.888 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 15 84.089 -6.328 -7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.721 -7.142 -9.718 1.00 0.00 H new ATOM 0 HB2 ALA A 15 83.021 -5.523 -9.476 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.562 -5.705 -10.347 1.00 0.00 H new ATOM 240 N GLN A 16 87.086 -6.154 -8.646 1.00 0.00 N ATOM 241 CA GLN A 16 88.366 -6.846 -8.745 1.00 0.00 C ATOM 242 C GLN A 16 88.630 -7.713 -7.514 1.00 0.00 C ATOM 243 O GLN A 16 88.788 -8.929 -7.631 1.00 0.00 O ATOM 244 CB GLN A 16 89.493 -5.825 -8.902 1.00 0.00 C ATOM 245 CG GLN A 16 89.413 -5.169 -10.291 1.00 0.00 C ATOM 246 CD GLN A 16 90.568 -5.643 -11.171 1.00 0.00 C ATOM 247 OE1 GLN A 16 91.703 -5.743 -10.705 1.00 0.00 O ATOM 248 NE2 GLN A 16 90.344 -5.942 -12.421 1.00 0.00 N ATOM 0 H GLN A 16 87.120 -5.162 -8.881 1.00 0.00 H new ATOM 0 HA GLN A 16 88.329 -7.498 -9.618 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.417 -5.064 -8.125 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.459 -6.314 -8.776 1.00 0.00 H new ATOM 0 HG2 GLN A 16 88.462 -5.417 -10.763 1.00 0.00 H new ATOM 0 HG3 GLN A 16 89.446 -4.084 -10.190 1.00 0.00 H new ATOM 0 HE21 GLN A 16 89.403 -5.858 -12.805 1.00 0.00 H new ATOM 0 HE22 GLN A 16 91.110 -6.260 -13.015 1.00 0.00 H new ATOM 257 N CYS A 17 88.691 -7.088 -6.336 1.00 0.00 N ATOM 258 CA CYS A 17 88.954 -7.829 -5.100 1.00 0.00 C ATOM 259 C CYS A 17 87.858 -7.585 -4.057 1.00 0.00 C ATOM 260 O CYS A 17 88.149 -7.255 -2.907 1.00 0.00 O ATOM 261 CB CYS A 17 90.321 -7.419 -4.520 1.00 0.00 C ATOM 262 SG CYS A 17 91.336 -6.647 -5.810 1.00 0.00 S ATOM 0 H CYS A 17 88.564 -6.084 -6.212 1.00 0.00 H new ATOM 0 HA CYS A 17 88.962 -8.891 -5.343 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.180 -6.724 -3.692 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.832 -8.294 -4.119 1.00 0.00 H new ATOM 0 HG CYS A 17 92.486 -6.303 -5.310 1.00 0.00 H new ATOM 267 N HIS A 18 86.599 -7.762 -4.453 1.00 0.00 N ATOM 268 CA HIS A 18 85.487 -7.567 -3.520 1.00 0.00 C ATOM 269 C HIS A 18 84.257 -8.364 -3.955 1.00 0.00 C ATOM 270 O HIS A 18 84.299 -9.110 -4.933 1.00 0.00 O ATOM 271 CB HIS A 18 85.123 -6.081 -3.427 1.00 0.00 C ATOM 272 CG HIS A 18 86.042 -5.388 -2.455 1.00 0.00 C ATOM 273 ND1 HIS A 18 85.764 -5.304 -1.101 1.00 0.00 N ATOM 274 CD2 HIS A 18 87.230 -4.729 -2.634 1.00 0.00 C ATOM 275 CE1 HIS A 18 86.764 -4.612 -0.524 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.687 -4.236 -1.415 1.00 0.00 N ATOM 0 H HIS A 18 86.324 -8.035 -5.396 1.00 0.00 H new ATOM 0 HA HIS A 18 85.808 -7.925 -2.542 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.202 -5.616 -4.410 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.088 -5.971 -3.104 1.00 0.00 H new ATOM 0 HD2 HIS A 18 87.737 -4.610 -3.580 1.00 0.00 H new ATOM 0 HE1 HIS A 18 86.815 -4.388 0.531 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.540 -3.704 -1.240 1.00 0.00 H new ATOM 284 N THR A 19 83.165 -8.199 -3.209 1.00 0.00 N ATOM 285 CA THR A 19 81.921 -8.904 -3.503 1.00 0.00 C ATOM 286 C THR A 19 80.722 -7.974 -3.298 1.00 0.00 C ATOM 287 O THR A 19 79.766 -7.994 -4.074 1.00 0.00 O ATOM 288 CB THR A 19 81.799 -10.125 -2.584 1.00 0.00 C ATOM 289 OG1 THR A 19 83.064 -10.393 -1.996 1.00 0.00 O ATOM 290 CG2 THR A 19 81.351 -11.341 -3.391 1.00 0.00 C ATOM 0 H THR A 19 83.118 -7.583 -2.397 1.00 0.00 H new ATOM 0 HA THR A 19 81.933 -9.231 -4.543 1.00 0.00 H new ATOM 0 HB THR A 19 81.063 -9.920 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 19 83.177 -11.361 -1.889 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.267 -12.205 -2.731 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.383 -11.138 -3.848 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.083 -11.550 -4.171 1.00 0.00 H new ATOM 298 N VAL A 20 80.792 -7.162 -2.248 1.00 0.00 N ATOM 299 CA VAL A 20 79.728 -6.212 -1.927 1.00 0.00 C ATOM 300 C VAL A 20 78.341 -6.831 -2.093 1.00 0.00 C ATOM 301 O VAL A 20 77.389 -6.141 -2.453 1.00 0.00 O ATOM 302 CB VAL A 20 79.851 -4.964 -2.808 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.265 -4.397 -2.690 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.576 -5.323 -4.268 1.00 0.00 C ATOM 0 H VAL A 20 81.579 -7.142 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 20 79.844 -5.933 -0.880 1.00 0.00 H new ATOM 0 HB VAL A 20 79.124 -4.223 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.354 -3.509 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.465 -4.131 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.986 -5.146 -3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.666 -4.429 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.298 -6.069 -4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.568 -5.727 -4.360 1.00 0.00 H new ATOM 314 N GLU A 21 78.227 -8.128 -1.817 1.00 0.00 N ATOM 315 CA GLU A 21 76.940 -8.811 -1.933 1.00 0.00 C ATOM 316 C GLU A 21 76.659 -9.633 -0.677 1.00 0.00 C ATOM 317 O GLU A 21 77.428 -10.526 -0.321 1.00 0.00 O ATOM 318 CB GLU A 21 76.929 -9.715 -3.171 1.00 0.00 C ATOM 319 CG GLU A 21 77.696 -11.007 -2.885 1.00 0.00 C ATOM 320 CD GLU A 21 78.056 -11.699 -4.196 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.641 -11.212 -5.234 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 78.744 -12.707 -4.141 1.00 0.00 O ATOM 0 H GLU A 21 79.000 -8.722 -1.515 1.00 0.00 H new ATOM 0 HA GLU A 21 76.157 -8.060 -2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.902 -9.947 -3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.381 -9.194 -4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.602 -10.785 -2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.090 -11.671 -2.268 1.00 0.00 H new ATOM 329 N LYS A 22 75.557 -9.317 -0.004 1.00 0.00 N ATOM 330 CA LYS A 22 75.187 -10.025 1.217 1.00 0.00 C ATOM 331 C LYS A 22 75.015 -11.515 0.943 1.00 0.00 C ATOM 332 O LYS A 22 74.399 -11.907 -0.048 1.00 0.00 O ATOM 333 CB LYS A 22 73.881 -9.446 1.781 1.00 0.00 C ATOM 334 CG LYS A 22 73.710 -9.848 3.257 1.00 0.00 C ATOM 335 CD LYS A 22 72.879 -11.132 3.359 1.00 0.00 C ATOM 336 CE LYS A 22 72.640 -11.468 4.831 1.00 0.00 C ATOM 337 NZ LYS A 22 71.542 -12.470 4.941 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.908 -8.580 -0.281 1.00 0.00 H new ATOM 0 HA LYS A 22 75.985 -9.896 1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.889 -8.360 1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 22 73.034 -9.808 1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 22 74.687 -10.000 3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 22 73.221 -9.044 3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 22 71.927 -11.003 2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 22 73.398 -11.954 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 22 73.553 -11.863 5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 22 72.379 -10.565 5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 71.380 -12.698 5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 70.671 -12.077 4.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 71.808 -13.334 4.428 1.00 0.00 H new ATOM 351 N GLY A 23 75.561 -12.338 1.831 1.00 0.00 N ATOM 352 CA GLY A 23 75.462 -13.785 1.681 1.00 0.00 C ATOM 353 C GLY A 23 76.369 -14.283 0.562 1.00 0.00 C ATOM 354 O GLY A 23 76.132 -15.343 -0.016 1.00 0.00 O ATOM 0 H GLY A 23 76.074 -12.031 2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.735 -14.271 2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.430 -14.062 1.467 1.00 0.00 H new ATOM 358 N GLY A 24 77.410 -13.512 0.261 1.00 0.00 N ATOM 359 CA GLY A 24 78.347 -13.887 -0.793 1.00 0.00 C ATOM 360 C GLY A 24 79.580 -14.569 -0.211 1.00 0.00 C ATOM 361 O GLY A 24 79.479 -15.380 0.710 1.00 0.00 O ATOM 0 H GLY A 24 77.625 -12.631 0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.856 -14.556 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.647 -13.000 -1.350 1.00 0.00 H new ATOM 365 N LYS A 25 80.742 -14.230 -0.756 1.00 0.00 N ATOM 366 CA LYS A 25 81.998 -14.809 -0.291 1.00 0.00 C ATOM 367 C LYS A 25 83.145 -13.831 -0.521 1.00 0.00 C ATOM 368 O LYS A 25 83.362 -13.367 -1.640 1.00 0.00 O ATOM 369 CB LYS A 25 82.276 -16.118 -1.035 1.00 0.00 C ATOM 370 CG LYS A 25 81.878 -15.965 -2.506 1.00 0.00 C ATOM 371 CD LYS A 25 82.596 -17.024 -3.347 1.00 0.00 C ATOM 372 CE LYS A 25 81.957 -17.101 -4.737 1.00 0.00 C ATOM 373 NZ LYS A 25 80.766 -17.995 -4.685 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.842 -13.559 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 25 81.916 -15.014 0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.333 -16.375 -0.958 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.716 -16.934 -0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 25 80.799 -16.071 -2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.137 -14.968 -2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 25 83.654 -16.776 -3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 25 82.537 -17.995 -2.855 1.00 0.00 H new ATOM 0 HE2 LYS A 25 81.664 -16.105 -5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 25 82.679 -17.480 -5.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 80.331 -18.049 -5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 81.059 -18.947 -4.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 80.076 -17.615 -4.006 1.00 0.00 H new ATOM 387 N HIS A 26 83.876 -13.523 0.545 1.00 0.00 N ATOM 388 CA HIS A 26 84.998 -12.596 0.443 1.00 0.00 C ATOM 389 C HIS A 26 85.968 -13.052 -0.642 1.00 0.00 C ATOM 390 O HIS A 26 86.566 -14.124 -0.548 1.00 0.00 O ATOM 391 CB HIS A 26 85.729 -12.502 1.789 1.00 0.00 C ATOM 392 CG HIS A 26 85.558 -13.789 2.550 1.00 0.00 C ATOM 393 ND1 HIS A 26 86.077 -14.992 2.095 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.929 -14.075 3.736 1.00 0.00 C ATOM 395 CE1 HIS A 26 85.753 -15.938 2.995 1.00 0.00 C ATOM 396 NE2 HIS A 26 85.053 -15.434 4.015 1.00 0.00 N ATOM 0 H HIS A 26 83.715 -13.897 1.480 1.00 0.00 H new ATOM 0 HA HIS A 26 84.611 -11.612 0.177 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.788 -12.303 1.625 1.00 0.00 H new ATOM 0 HB3 HIS A 26 85.334 -11.669 2.371 1.00 0.00 H new ATOM 0 HD1 HIS A 26 86.607 -15.134 1.235 1.00 0.00 H new ATOM 0 HD2 HIS A 26 84.416 -13.356 4.358 1.00 0.00 H new ATOM 0 HE1 HIS A 26 86.026 -16.979 2.904 1.00 0.00 H new ATOM 405 N LYS A 27 86.113 -12.226 -1.674 1.00 0.00 N ATOM 406 CA LYS A 27 87.009 -12.539 -2.784 1.00 0.00 C ATOM 407 C LYS A 27 88.278 -11.698 -2.695 1.00 0.00 C ATOM 408 O LYS A 27 88.243 -10.485 -2.896 1.00 0.00 O ATOM 409 CB LYS A 27 86.302 -12.261 -4.113 1.00 0.00 C ATOM 410 CG LYS A 27 87.075 -12.923 -5.264 1.00 0.00 C ATOM 411 CD LYS A 27 86.605 -14.373 -5.445 1.00 0.00 C ATOM 412 CE LYS A 27 85.369 -14.408 -6.349 1.00 0.00 C ATOM 413 NZ LYS A 27 85.779 -14.161 -7.760 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.623 -11.336 -1.765 1.00 0.00 H new ATOM 0 HA LYS A 27 87.280 -13.593 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 27 85.282 -12.645 -4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.233 -11.186 -4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 27 86.920 -12.364 -6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.144 -12.902 -5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 27 87.404 -14.972 -5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 27 86.371 -14.813 -4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 27 84.873 -15.375 -6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 27 84.651 -13.653 -6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 85.055 -14.540 -8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 85.882 -13.138 -7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 86.687 -14.633 -7.945 1.00 0.00 H new ATOM 427 N THR A 28 89.396 -12.349 -2.389 1.00 0.00 N ATOM 428 CA THR A 28 90.667 -11.644 -2.272 1.00 0.00 C ATOM 429 C THR A 28 90.477 -10.349 -1.487 1.00 0.00 C ATOM 430 O THR A 28 91.217 -9.382 -1.670 1.00 0.00 O ATOM 431 CB THR A 28 91.219 -11.334 -3.667 1.00 0.00 C ATOM 432 OG1 THR A 28 91.240 -12.527 -4.439 1.00 0.00 O ATOM 433 CG2 THR A 28 92.642 -10.770 -3.561 1.00 0.00 C ATOM 0 H THR A 28 89.448 -13.353 -2.219 1.00 0.00 H new ATOM 0 HA THR A 28 91.377 -12.277 -1.740 1.00 0.00 H new ATOM 0 HB THR A 28 90.580 -10.593 -4.147 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.591 -12.332 -5.333 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.023 -10.554 -4.559 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.627 -9.853 -2.972 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.288 -11.502 -3.077 1.00 0.00 H new ATOM 441 N GLY A 29 89.478 -10.345 -0.614 1.00 0.00 N ATOM 442 CA GLY A 29 89.184 -9.173 0.202 1.00 0.00 C ATOM 443 C GLY A 29 87.895 -9.380 0.991 1.00 0.00 C ATOM 444 O GLY A 29 87.075 -10.230 0.643 1.00 0.00 O ATOM 0 H GLY A 29 88.858 -11.139 -0.452 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.010 -8.983 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.090 -8.294 -0.435 1.00 0.00 H new ATOM 448 N PRO A 30 87.703 -8.625 2.040 1.00 0.00 N ATOM 449 CA PRO A 30 86.485 -8.732 2.897 1.00 0.00 C ATOM 450 C PRO A 30 85.231 -8.226 2.185 1.00 0.00 C ATOM 451 O PRO A 30 85.316 -7.560 1.153 1.00 0.00 O ATOM 452 CB PRO A 30 86.818 -7.858 4.111 1.00 0.00 C ATOM 453 CG PRO A 30 87.828 -6.874 3.621 1.00 0.00 C ATOM 454 CD PRO A 30 88.624 -7.584 2.524 1.00 0.00 C ATOM 0 HA PRO A 30 86.259 -9.765 3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.929 -7.354 4.489 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.217 -8.457 4.930 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.342 -5.980 3.231 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.483 -6.554 4.431 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.906 -6.897 1.726 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.546 -8.015 2.914 1.00 0.00 H new ATOM 462 N ASN A 31 84.069 -8.542 2.751 1.00 0.00 N ATOM 463 CA ASN A 31 82.801 -8.112 2.173 1.00 0.00 C ATOM 464 C ASN A 31 82.432 -6.735 2.713 1.00 0.00 C ATOM 465 O ASN A 31 82.924 -6.328 3.764 1.00 0.00 O ATOM 466 CB ASN A 31 81.701 -9.121 2.523 1.00 0.00 C ATOM 467 CG ASN A 31 81.194 -8.882 3.942 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.537 -7.875 4.207 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.461 -9.753 4.877 1.00 0.00 N ATOM 0 H ASN A 31 83.980 -9.092 3.605 1.00 0.00 H new ATOM 0 HA ASN A 31 82.901 -8.057 1.089 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.877 -9.031 1.815 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.088 -10.136 2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.125 -9.600 5.828 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.005 -10.587 4.657 1.00 0.00 H new ATOM 476 N LEU A 32 81.569 -6.019 1.997 1.00 0.00 N ATOM 477 CA LEU A 32 81.152 -4.686 2.436 1.00 0.00 C ATOM 478 C LEU A 32 79.664 -4.678 2.789 1.00 0.00 C ATOM 479 O LEU A 32 78.970 -3.688 2.561 1.00 0.00 O ATOM 480 CB LEU A 32 81.413 -3.640 1.340 1.00 0.00 C ATOM 481 CG LEU A 32 82.859 -3.723 0.822 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.184 -2.456 0.019 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.848 -3.836 1.990 1.00 0.00 C ATOM 0 H LEU A 32 81.148 -6.332 1.122 1.00 0.00 H new ATOM 0 HA LEU A 32 81.738 -4.432 3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.719 -3.795 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.222 -2.642 1.734 1.00 0.00 H new ATOM 0 HG LEU A 32 82.951 -4.607 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.208 -2.512 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.499 -2.374 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.076 -1.581 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.865 -3.893 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.754 -2.960 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.629 -4.734 2.567 1.00 0.00 H new ATOM 495 N HIS A 33 79.183 -5.781 3.356 1.00 0.00 N ATOM 496 CA HIS A 33 77.776 -5.878 3.745 1.00 0.00 C ATOM 497 C HIS A 33 77.454 -4.833 4.809 1.00 0.00 C ATOM 498 O HIS A 33 78.278 -4.565 5.683 1.00 0.00 O ATOM 499 CB HIS A 33 77.474 -7.271 4.300 1.00 0.00 C ATOM 500 CG HIS A 33 77.959 -8.322 3.340 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.415 -9.558 3.770 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.058 -8.342 1.971 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.763 -10.264 2.679 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.564 -9.570 1.556 1.00 0.00 N ATOM 0 H HIS A 33 79.738 -6.613 3.555 1.00 0.00 H new ATOM 0 HA HIS A 33 77.161 -5.701 2.862 1.00 0.00 H new ATOM 0 HB2 HIS A 33 77.959 -7.399 5.268 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.402 -7.382 4.463 1.00 0.00 H new ATOM 0 HD2 HIS A 33 77.785 -7.528 1.316 1.00 0.00 H new ATOM 0 HE1 HIS A 33 79.156 -11.270 2.708 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.744 -9.875 0.599 1.00 0.00 H new ATOM 513 N GLY A 34 76.259 -4.242 4.733 1.00 0.00 N ATOM 514 CA GLY A 34 75.858 -3.222 5.705 1.00 0.00 C ATOM 515 C GLY A 34 77.077 -2.445 6.191 1.00 0.00 C ATOM 516 O GLY A 34 77.206 -2.129 7.373 1.00 0.00 O ATOM 0 H GLY A 34 75.561 -4.448 4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.141 -2.539 5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.358 -3.693 6.551 1.00 0.00 H new ATOM 520 N LEU A 35 77.974 -2.167 5.256 1.00 0.00 N ATOM 521 CA LEU A 35 79.207 -1.453 5.554 1.00 0.00 C ATOM 522 C LEU A 35 78.935 -0.171 6.342 1.00 0.00 C ATOM 523 O LEU A 35 79.449 0.019 7.443 1.00 0.00 O ATOM 524 CB LEU A 35 79.900 -1.118 4.226 1.00 0.00 C ATOM 525 CG LEU A 35 81.142 -0.244 4.458 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.365 -1.133 4.691 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.389 0.635 3.228 1.00 0.00 C ATOM 0 H LEU A 35 77.869 -2.428 4.276 1.00 0.00 H new ATOM 0 HA LEU A 35 79.846 -2.084 6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.189 -2.039 3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.203 -0.598 3.569 1.00 0.00 H new ATOM 0 HG LEU A 35 80.976 0.385 5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.243 -0.508 4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.197 -1.760 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.527 -1.765 3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.270 1.254 3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.550 0.002 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.523 1.275 3.058 1.00 0.00 H new ATOM 539 N PHE A 36 78.135 0.710 5.769 1.00 0.00 N ATOM 540 CA PHE A 36 77.820 1.978 6.422 1.00 0.00 C ATOM 541 C PHE A 36 77.244 1.758 7.821 1.00 0.00 C ATOM 542 O PHE A 36 76.044 1.528 7.976 1.00 0.00 O ATOM 543 CB PHE A 36 76.823 2.773 5.567 1.00 0.00 C ATOM 544 CG PHE A 36 77.025 2.424 4.112 1.00 0.00 C ATOM 545 CD1 PHE A 36 76.480 1.241 3.605 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.763 3.272 3.274 1.00 0.00 C ATOM 547 CE1 PHE A 36 76.672 0.900 2.265 1.00 0.00 C ATOM 548 CE2 PHE A 36 77.956 2.929 1.931 1.00 0.00 C ATOM 549 CZ PHE A 36 77.410 1.743 1.426 1.00 0.00 C ATOM 0 H PHE A 36 77.692 0.577 4.860 1.00 0.00 H new ATOM 0 HA PHE A 36 78.747 2.543 6.524 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.802 2.542 5.870 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.967 3.843 5.720 1.00 0.00 H new ATOM 0 HD1 PHE A 36 75.910 0.590 4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 36 78.182 4.188 3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 36 76.251 -0.015 1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.526 3.579 1.284 1.00 0.00 H new ATOM 0 HZ PHE A 36 77.558 1.479 0.389 1.00 0.00 H new ATOM 559 N GLY A 37 78.102 1.847 8.841 1.00 0.00 N ATOM 560 CA GLY A 37 77.648 1.675 10.221 1.00 0.00 C ATOM 561 C GLY A 37 78.649 0.893 11.074 1.00 0.00 C ATOM 562 O GLY A 37 78.755 1.125 12.279 1.00 0.00 O ATOM 0 H GLY A 37 79.099 2.034 8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.480 2.654 10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.690 1.155 10.223 1.00 0.00 H new ATOM 566 N ARG A 38 79.370 -0.043 10.460 1.00 0.00 N ATOM 567 CA ARG A 38 80.337 -0.854 11.205 1.00 0.00 C ATOM 568 C ARG A 38 81.701 -0.167 11.279 1.00 0.00 C ATOM 569 O ARG A 38 82.102 0.547 10.359 1.00 0.00 O ATOM 570 CB ARG A 38 80.489 -2.228 10.538 1.00 0.00 C ATOM 571 CG ARG A 38 79.693 -3.286 11.315 1.00 0.00 C ATOM 572 CD ARG A 38 79.961 -4.672 10.718 1.00 0.00 C ATOM 573 NE ARG A 38 79.082 -4.906 9.576 1.00 0.00 N ATOM 574 CZ ARG A 38 79.409 -5.760 8.609 1.00 0.00 C ATOM 575 NH1 ARG A 38 80.537 -6.416 8.663 1.00 0.00 N ATOM 576 NH2 ARG A 38 78.599 -5.946 7.604 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.307 -0.258 9.465 1.00 0.00 H new ATOM 0 HA ARG A 38 79.961 -0.976 12.221 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.136 -2.181 9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.542 -2.508 10.502 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.978 -3.271 12.367 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.628 -3.060 11.270 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.003 -4.747 10.406 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.799 -5.440 11.475 1.00 0.00 H new ATOM 0 HE ARG A 38 78.196 -4.403 9.518 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.172 -6.275 9.449 1.00 0.00 H new ATOM 0 HH12 ARG A 38 80.783 -7.069 7.919 1.00 0.00 H new ATOM 0 HH21 ARG A 38 77.716 -5.437 7.560 1.00 0.00 H new ATOM 0 HH22 ARG A 38 78.848 -6.600 6.862 1.00 0.00 H new ATOM 590 N LYS A 39 82.410 -0.398 12.384 1.00 0.00 N ATOM 591 CA LYS A 39 83.732 0.195 12.581 1.00 0.00 C ATOM 592 C LYS A 39 84.758 -0.457 11.653 1.00 0.00 C ATOM 593 O LYS A 39 84.482 -1.481 11.029 1.00 0.00 O ATOM 594 CB LYS A 39 84.168 0.030 14.045 1.00 0.00 C ATOM 595 CG LYS A 39 83.711 1.241 14.871 1.00 0.00 C ATOM 596 CD LYS A 39 84.755 2.362 14.781 1.00 0.00 C ATOM 597 CE LYS A 39 84.374 3.493 15.739 1.00 0.00 C ATOM 598 NZ LYS A 39 85.525 4.427 15.887 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.093 -0.989 13.153 1.00 0.00 H new ATOM 0 HA LYS A 39 83.675 1.257 12.342 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.742 -0.884 14.459 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.252 -0.070 14.101 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.749 1.599 14.505 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.568 0.949 15.911 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.742 1.975 15.033 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.812 2.740 13.760 1.00 0.00 H new ATOM 0 HE2 LYS A 39 83.504 4.028 15.359 1.00 0.00 H new ATOM 0 HE3 LYS A 39 84.097 3.083 16.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 85.267 5.196 16.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 86.344 3.911 16.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 85.769 4.827 14.959 1.00 0.00 H new ATOM 612 N THR A 40 85.940 0.152 11.563 1.00 0.00 N ATOM 613 CA THR A 40 86.998 -0.365 10.701 1.00 0.00 C ATOM 614 C THR A 40 87.481 -1.736 11.165 1.00 0.00 C ATOM 615 O THR A 40 87.593 -1.995 12.363 1.00 0.00 O ATOM 616 CB THR A 40 88.175 0.617 10.680 1.00 0.00 C ATOM 617 OG1 THR A 40 88.469 1.034 12.006 1.00 0.00 O ATOM 618 CG2 THR A 40 87.810 1.836 9.831 1.00 0.00 C ATOM 0 H THR A 40 86.187 0.999 12.074 1.00 0.00 H new ATOM 0 HA THR A 40 86.588 -0.475 9.697 1.00 0.00 H new ATOM 0 HB THR A 40 89.049 0.125 10.252 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.110 0.413 12.410 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.648 2.533 9.817 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.586 1.517 8.813 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.936 2.328 10.257 1.00 0.00 H new ATOM 626 N GLY A 41 87.773 -2.606 10.200 1.00 0.00 N ATOM 627 CA GLY A 41 88.255 -3.948 10.508 1.00 0.00 C ATOM 628 C GLY A 41 87.260 -4.712 11.373 1.00 0.00 C ATOM 629 O GLY A 41 87.620 -5.245 12.422 1.00 0.00 O ATOM 0 H GLY A 41 87.684 -2.406 9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.429 -4.495 9.581 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.213 -3.883 11.024 1.00 0.00 H new ATOM 633 N GLN A 42 86.004 -4.748 10.936 1.00 0.00 N ATOM 634 CA GLN A 42 84.958 -5.440 11.695 1.00 0.00 C ATOM 635 C GLN A 42 84.416 -6.650 10.935 1.00 0.00 C ATOM 636 O GLN A 42 83.803 -7.536 11.530 1.00 0.00 O ATOM 637 CB GLN A 42 83.807 -4.473 11.989 1.00 0.00 C ATOM 638 CG GLN A 42 84.213 -3.502 13.102 1.00 0.00 C ATOM 639 CD GLN A 42 83.872 -4.093 14.467 1.00 0.00 C ATOM 640 OE1 GLN A 42 83.764 -3.362 15.452 1.00 0.00 O ATOM 641 NE2 GLN A 42 83.695 -5.380 14.586 1.00 0.00 N ATOM 0 H GLN A 42 85.685 -4.312 10.071 1.00 0.00 H new ATOM 0 HA GLN A 42 85.402 -5.792 12.626 1.00 0.00 H new ATOM 0 HB2 GLN A 42 83.547 -3.918 11.087 1.00 0.00 H new ATOM 0 HB3 GLN A 42 82.919 -5.031 12.287 1.00 0.00 H new ATOM 0 HG2 GLN A 42 85.282 -3.296 13.043 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.698 -2.551 12.970 1.00 0.00 H new ATOM 0 HE21 GLN A 42 83.785 -5.985 13.770 1.00 0.00 H new ATOM 0 HE22 GLN A 42 83.467 -5.781 15.496 1.00 0.00 H new ATOM 701 N THR A 47 91.949 -11.176 7.224 1.00 0.00 N ATOM 702 CA THR A 47 92.829 -10.749 8.307 1.00 0.00 C ATOM 703 C THR A 47 93.071 -9.246 8.235 1.00 0.00 C ATOM 704 O THR A 47 94.033 -8.788 7.618 1.00 0.00 O ATOM 705 CB THR A 47 94.165 -11.489 8.216 1.00 0.00 C ATOM 706 OG1 THR A 47 93.942 -12.885 8.357 1.00 0.00 O ATOM 707 CG2 THR A 47 95.096 -11.003 9.328 1.00 0.00 C ATOM 0 HA THR A 47 92.349 -10.984 9.257 1.00 0.00 H new ATOM 0 HB THR A 47 94.626 -11.291 7.248 1.00 0.00 H new ATOM 0 HG1 THR A 47 93.022 -13.098 8.093 1.00 0.00 H new ATOM 0 HG21 THR A 47 96.048 -11.531 9.262 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.267 -9.932 9.218 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.638 -11.199 10.298 1.00 0.00 H new ATOM 715 N TYR A 48 92.184 -8.484 8.865 1.00 0.00 N ATOM 716 CA TYR A 48 92.299 -7.029 8.867 1.00 0.00 C ATOM 717 C TYR A 48 93.615 -6.586 9.493 1.00 0.00 C ATOM 718 O TYR A 48 94.164 -7.264 10.362 1.00 0.00 O ATOM 719 CB TYR A 48 91.129 -6.420 9.646 1.00 0.00 C ATOM 720 CG TYR A 48 89.958 -6.221 8.720 1.00 0.00 C ATOM 721 CD1 TYR A 48 90.054 -5.301 7.673 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.778 -6.945 8.913 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.970 -5.103 6.814 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.693 -6.746 8.055 1.00 0.00 C ATOM 725 CZ TYR A 48 87.788 -5.826 7.006 1.00 0.00 C ATOM 726 OH TYR A 48 86.715 -5.629 6.163 1.00 0.00 O ATOM 0 H TYR A 48 91.381 -8.847 9.379 1.00 0.00 H new ATOM 0 HA TYR A 48 92.275 -6.682 7.834 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.847 -7.075 10.470 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.426 -5.467 10.083 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.967 -4.742 7.528 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.705 -7.656 9.723 1.00 0.00 H new ATOM 0 HE1 TYR A 48 89.045 -4.393 6.003 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.780 -7.303 8.202 1.00 0.00 H new ATOM 0 HH TYR A 48 85.974 -6.211 6.435 1.00 0.00 H new ATOM 736 N THR A 49 94.112 -5.439 9.045 1.00 0.00 N ATOM 737 CA THR A 49 95.362 -4.903 9.566 1.00 0.00 C ATOM 738 C THR A 49 95.116 -4.162 10.877 1.00 0.00 C ATOM 739 O THR A 49 94.032 -3.625 11.101 1.00 0.00 O ATOM 740 CB THR A 49 95.982 -3.945 8.547 1.00 0.00 C ATOM 741 OG1 THR A 49 95.092 -2.860 8.318 1.00 0.00 O ATOM 742 CG2 THR A 49 96.235 -4.687 7.232 1.00 0.00 C ATOM 0 H THR A 49 93.671 -4.865 8.326 1.00 0.00 H new ATOM 0 HA THR A 49 96.046 -5.731 9.749 1.00 0.00 H new ATOM 0 HB THR A 49 96.928 -3.565 8.934 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.602 -2.025 8.265 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.677 -4.003 6.507 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.917 -5.518 7.409 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.291 -5.069 6.842 1.00 0.00 H new ATOM 750 N ASP A 50 96.127 -4.137 11.738 1.00 0.00 N ATOM 751 CA ASP A 50 96.002 -3.456 13.021 1.00 0.00 C ATOM 752 C ASP A 50 95.393 -2.072 12.830 1.00 0.00 C ATOM 753 O ASP A 50 94.520 -1.656 13.592 1.00 0.00 O ATOM 754 CB ASP A 50 97.374 -3.327 13.683 1.00 0.00 C ATOM 755 CG ASP A 50 97.912 -4.707 14.046 1.00 0.00 C ATOM 756 OD1 ASP A 50 98.146 -5.487 13.138 1.00 0.00 O ATOM 757 OD2 ASP A 50 98.080 -4.965 15.227 1.00 0.00 O1- ATOM 0 H ASP A 50 97.033 -4.575 11.574 1.00 0.00 H new ATOM 0 HA ASP A 50 95.347 -4.045 13.663 1.00 0.00 H new ATOM 0 HB2 ASP A 50 98.066 -2.824 13.008 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.298 -2.711 14.579 1.00 0.00 H new ATOM 762 N ALA A 51 95.854 -1.365 11.804 1.00 0.00 N ATOM 763 CA ALA A 51 95.343 -0.031 11.520 1.00 0.00 C ATOM 764 C ALA A 51 93.824 -0.063 11.405 1.00 0.00 C ATOM 765 O ALA A 51 93.138 0.837 11.883 1.00 0.00 O ATOM 766 CB ALA A 51 95.946 0.496 10.219 1.00 0.00 C ATOM 0 H ALA A 51 96.575 -1.691 11.160 1.00 0.00 H new ATOM 0 HA ALA A 51 95.624 0.631 12.339 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.557 1.494 10.016 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.031 0.541 10.313 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.680 -0.171 9.399 1.00 0.00 H new ATOM 772 N ASN A 52 93.306 -1.112 10.773 1.00 0.00 N ATOM 773 CA ASN A 52 91.865 -1.257 10.611 1.00 0.00 C ATOM 774 C ASN A 52 91.250 -1.820 11.890 1.00 0.00 C ATOM 775 O ASN A 52 90.072 -1.601 12.177 1.00 0.00 O ATOM 776 CB ASN A 52 91.561 -2.190 9.431 1.00 0.00 C ATOM 777 CG ASN A 52 91.398 -1.379 8.149 1.00 0.00 C ATOM 778 OD1 ASN A 52 91.884 -0.252 8.060 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.738 -1.889 7.146 1.00 0.00 N ATOM 0 H ASN A 52 93.858 -1.868 10.368 1.00 0.00 H new ATOM 0 HA ASN A 52 91.432 -0.277 10.410 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.367 -2.914 9.313 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.651 -2.756 9.630 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.624 -1.353 6.285 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.336 -2.823 7.222 1.00 0.00 H new ATOM 786 N LYS A 53 92.061 -2.539 12.659 1.00 0.00 N ATOM 787 CA LYS A 53 91.597 -3.124 13.911 1.00 0.00 C ATOM 788 C LYS A 53 91.683 -2.085 15.020 1.00 0.00 C ATOM 789 O LYS A 53 91.130 -2.264 16.105 1.00 0.00 O ATOM 790 CB LYS A 53 92.447 -4.367 14.251 1.00 0.00 C ATOM 791 CG LYS A 53 93.356 -4.099 15.462 1.00 0.00 C ATOM 792 CD LYS A 53 94.293 -5.298 15.688 1.00 0.00 C ATOM 793 CE LYS A 53 93.823 -6.105 16.904 1.00 0.00 C ATOM 794 NZ LYS A 53 92.419 -6.558 16.688 1.00 0.00 N1+ ATOM 0 H LYS A 53 93.038 -2.730 12.438 1.00 0.00 H new ATOM 0 HA LYS A 53 90.558 -3.437 13.810 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.793 -5.212 14.463 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.055 -4.643 13.389 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.942 -3.195 15.295 1.00 0.00 H new ATOM 0 HG3 LYS A 53 92.750 -3.927 16.352 1.00 0.00 H new ATOM 0 HD2 LYS A 53 94.306 -5.933 14.802 1.00 0.00 H new ATOM 0 HD3 LYS A 53 95.314 -4.949 15.845 1.00 0.00 H new ATOM 0 HE2 LYS A 53 94.475 -6.965 17.057 1.00 0.00 H new ATOM 0 HE3 LYS A 53 93.885 -5.495 17.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 92.196 -7.327 17.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 91.769 -5.762 16.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 92.311 -6.901 15.712 1.00 0.00 H new ATOM 808 N ASN A 54 92.388 -0.999 14.730 1.00 0.00 N ATOM 809 CA ASN A 54 92.555 0.076 15.696 1.00 0.00 C ATOM 810 C ASN A 54 91.222 0.757 15.970 1.00 0.00 C ATOM 811 O ASN A 54 91.054 1.446 16.976 1.00 0.00 O ATOM 812 CB ASN A 54 93.553 1.097 15.145 1.00 0.00 C ATOM 813 CG ASN A 54 92.833 2.178 14.340 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.180 3.356 14.434 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.849 1.849 13.551 1.00 0.00 N ATOM 0 H ASN A 54 92.852 -0.841 13.836 1.00 0.00 H new ATOM 0 HA ASN A 54 92.930 -0.340 16.631 1.00 0.00 H new ATOM 0 HB2 ASN A 54 94.103 1.555 15.967 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.285 0.593 14.513 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.366 2.567 13.011 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.562 0.873 13.473 1.00 0.00 H new ATOM 822 N LYS A 55 90.285 0.557 15.060 1.00 0.00 N ATOM 823 CA LYS A 55 88.960 1.155 15.193 1.00 0.00 C ATOM 824 C LYS A 55 89.078 2.673 15.317 1.00 0.00 C ATOM 825 O LYS A 55 88.740 3.251 16.350 1.00 0.00 O ATOM 826 CB LYS A 55 88.246 0.585 16.425 1.00 0.00 C ATOM 827 CG LYS A 55 88.681 -0.868 16.648 1.00 0.00 C ATOM 828 CD LYS A 55 87.617 -1.611 17.466 1.00 0.00 C ATOM 829 CE LYS A 55 86.339 -1.791 16.635 1.00 0.00 C ATOM 830 NZ LYS A 55 85.751 -3.132 16.917 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.412 -0.012 14.223 1.00 0.00 H new ATOM 0 HA LYS A 55 88.377 0.917 14.303 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.482 1.185 17.304 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.166 0.634 16.287 1.00 0.00 H new ATOM 0 HG2 LYS A 55 88.827 -1.364 15.689 1.00 0.00 H new ATOM 0 HG3 LYS A 55 89.638 -0.895 17.170 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.999 -2.584 17.774 1.00 0.00 H new ATOM 0 HD3 LYS A 55 87.393 -1.054 18.376 1.00 0.00 H new ATOM 0 HE2 LYS A 55 85.621 -1.008 16.878 1.00 0.00 H new ATOM 0 HE3 LYS A 55 86.566 -1.697 15.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 84.826 -3.211 16.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 86.386 -3.872 16.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.631 -3.249 17.943 1.00 0.00 H new ATOM 844 N GLY A 56 89.574 3.309 14.262 1.00 0.00 N ATOM 845 CA GLY A 56 89.749 4.759 14.267 1.00 0.00 C ATOM 846 C GLY A 56 88.457 5.482 13.903 1.00 0.00 C ATOM 847 O GLY A 56 88.072 6.448 14.561 1.00 0.00 O ATOM 0 H GLY A 56 89.861 2.849 13.398 1.00 0.00 H new ATOM 0 HA2 GLY A 56 90.082 5.082 15.253 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.532 5.034 13.560 1.00 0.00 H new ATOM 851 N ILE A 57 87.793 5.016 12.850 1.00 0.00 N ATOM 852 CA ILE A 57 86.547 5.638 12.412 1.00 0.00 C ATOM 853 C ILE A 57 85.557 4.583 11.933 1.00 0.00 C ATOM 854 O ILE A 57 85.888 3.400 11.848 1.00 0.00 O ATOM 855 CB ILE A 57 86.830 6.635 11.285 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.357 5.888 10.049 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.883 7.640 11.755 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.194 5.270 9.256 1.00 0.00 C ATOM 0 H ILE A 57 88.092 4.218 12.289 1.00 0.00 H new ATOM 0 HA ILE A 57 86.108 6.165 13.259 1.00 0.00 H new ATOM 0 HB ILE A 57 85.909 7.157 11.025 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.915 6.575 9.412 1.00 0.00 H new ATOM 0 HG13 ILE A 57 88.050 5.106 10.358 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.088 8.352 10.956 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.512 8.173 12.630 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.800 7.111 12.014 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.586 4.745 8.385 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.654 4.567 9.890 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.516 6.059 8.930 1.00 0.00 H new ATOM 870 N THR A 58 84.339 5.020 11.626 1.00 0.00 N ATOM 871 CA THR A 58 83.297 4.108 11.163 1.00 0.00 C ATOM 872 C THR A 58 82.968 4.350 9.695 1.00 0.00 C ATOM 873 O THR A 58 82.906 5.493 9.243 1.00 0.00 O ATOM 874 CB THR A 58 82.033 4.300 12.005 1.00 0.00 C ATOM 875 OG1 THR A 58 82.304 3.939 13.352 1.00 0.00 O ATOM 876 CG2 THR A 58 80.907 3.423 11.456 1.00 0.00 C ATOM 0 H THR A 58 84.050 5.996 11.689 1.00 0.00 H new ATOM 0 HA THR A 58 83.665 3.088 11.271 1.00 0.00 H new ATOM 0 HB THR A 58 81.726 5.345 11.962 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.496 4.063 13.893 1.00 0.00 H new ATOM 0 HG21 THR A 58 80.010 3.563 12.059 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.698 3.703 10.424 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.209 2.377 11.494 1.00 0.00 H new ATOM 884 N TRP A 59 82.744 3.264 8.957 1.00 0.00 N ATOM 885 CA TRP A 59 82.404 3.379 7.545 1.00 0.00 C ATOM 886 C TRP A 59 81.083 4.121 7.388 1.00 0.00 C ATOM 887 O TRP A 59 80.134 3.885 8.136 1.00 0.00 O ATOM 888 CB TRP A 59 82.278 1.997 6.901 1.00 0.00 C ATOM 889 CG TRP A 59 83.384 1.097 7.360 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.679 1.458 7.496 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.310 -0.311 7.735 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.405 0.360 7.927 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.603 -0.751 8.096 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.258 -1.239 7.797 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.840 -2.066 8.506 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.493 -2.562 8.204 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.781 -2.973 8.561 1.00 0.00 C ATOM 0 H TRP A 59 82.791 2.308 9.309 1.00 0.00 H new ATOM 0 HA TRP A 59 83.202 3.931 7.049 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.314 1.557 7.157 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.306 2.092 5.816 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.082 2.441 7.301 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.410 0.371 8.099 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.258 -0.932 7.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.837 -2.378 8.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.675 -3.266 8.242 1.00 0.00 H new ATOM 0 HH2 TRP A 59 83.956 -3.990 8.879 1.00 0.00 H new ATOM 908 N LYS A 60 81.030 5.012 6.411 1.00 0.00 N ATOM 909 CA LYS A 60 79.824 5.789 6.152 1.00 0.00 C ATOM 910 C LYS A 60 79.833 6.279 4.711 1.00 0.00 C ATOM 911 O LYS A 60 80.622 5.802 3.897 1.00 0.00 O ATOM 912 CB LYS A 60 79.754 6.985 7.109 1.00 0.00 C ATOM 913 CG LYS A 60 79.528 6.489 8.541 1.00 0.00 C ATOM 914 CD LYS A 60 79.094 7.657 9.432 1.00 0.00 C ATOM 915 CE LYS A 60 80.303 8.538 9.748 1.00 0.00 C ATOM 916 NZ LYS A 60 79.906 9.595 10.722 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.807 5.217 5.783 1.00 0.00 H new ATOM 0 HA LYS A 60 78.950 5.158 6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.678 7.561 7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.945 7.653 6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.766 5.710 8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.444 6.043 8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.325 8.244 8.930 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.655 7.279 10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.110 7.932 10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.683 8.995 8.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.728 10.195 10.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.149 10.179 10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.563 9.150 11.597 1.00 0.00 H new ATOM 930 N GLU A 61 78.962 7.228 4.393 1.00 0.00 N ATOM 931 CA GLU A 61 78.903 7.757 3.038 1.00 0.00 C ATOM 932 C GLU A 61 80.108 8.655 2.766 1.00 0.00 C ATOM 933 O GLU A 61 80.885 8.404 1.844 1.00 0.00 O ATOM 934 CB GLU A 61 77.613 8.557 2.845 1.00 0.00 C ATOM 935 CG GLU A 61 77.364 8.775 1.351 1.00 0.00 C ATOM 936 CD GLU A 61 76.125 9.641 1.150 1.00 0.00 C ATOM 937 OE1 GLU A 61 76.213 10.833 1.400 1.00 0.00 O ATOM 938 OE2 GLU A 61 75.109 9.102 0.749 1.00 0.00 O1- ATOM 0 H GLU A 61 78.296 7.642 5.045 1.00 0.00 H new ATOM 0 HA GLU A 61 78.918 6.922 2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.773 8.024 3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.689 9.517 3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.231 9.254 0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.232 7.815 0.852 1.00 0.00 H new ATOM 945 N GLU A 62 80.259 9.698 3.575 1.00 0.00 N ATOM 946 CA GLU A 62 81.373 10.625 3.409 1.00 0.00 C ATOM 947 C GLU A 62 82.698 9.945 3.733 1.00 0.00 C ATOM 948 O GLU A 62 83.672 10.079 2.993 1.00 0.00 O ATOM 949 CB GLU A 62 81.183 11.839 4.319 1.00 0.00 C ATOM 950 CG GLU A 62 80.032 12.698 3.793 1.00 0.00 C ATOM 951 CD GLU A 62 80.472 13.446 2.538 1.00 0.00 C ATOM 952 OE1 GLU A 62 81.577 13.965 2.539 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 79.699 13.490 1.596 1.00 0.00 O ATOM 0 H GLU A 62 79.630 9.922 4.346 1.00 0.00 H new ATOM 0 HA GLU A 62 81.394 10.950 2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 62 80.971 11.513 5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 62 82.101 12.426 4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.171 12.069 3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.718 13.408 4.558 1.00 0.00 H new ATOM 960 N THR A 63 82.732 9.212 4.839 1.00 0.00 N ATOM 961 CA THR A 63 83.951 8.519 5.236 1.00 0.00 C ATOM 962 C THR A 63 84.478 7.694 4.074 1.00 0.00 C ATOM 963 O THR A 63 85.687 7.602 3.859 1.00 0.00 O ATOM 964 CB THR A 63 83.674 7.597 6.421 1.00 0.00 C ATOM 965 OG1 THR A 63 82.678 6.654 6.058 1.00 0.00 O ATOM 966 CG2 THR A 63 83.188 8.423 7.607 1.00 0.00 C ATOM 0 H THR A 63 81.941 9.083 5.470 1.00 0.00 H new ATOM 0 HA THR A 63 84.694 9.262 5.525 1.00 0.00 H new ATOM 0 HB THR A 63 84.589 7.073 6.698 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.088 5.925 5.548 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.990 7.764 8.453 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.953 9.148 7.883 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.272 8.948 7.334 1.00 0.00 H new ATOM 974 N LEU A 64 83.560 7.098 3.324 1.00 0.00 N ATOM 975 CA LEU A 64 83.943 6.284 2.182 1.00 0.00 C ATOM 976 C LEU A 64 84.526 7.164 1.080 1.00 0.00 C ATOM 977 O LEU A 64 85.420 6.739 0.351 1.00 0.00 O ATOM 978 CB LEU A 64 82.729 5.519 1.640 1.00 0.00 C ATOM 979 CG LEU A 64 82.762 4.058 2.108 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.394 3.409 1.853 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.846 3.287 1.336 1.00 0.00 C ATOM 0 H LEU A 64 82.555 7.163 3.485 1.00 0.00 H new ATOM 0 HA LEU A 64 84.698 5.568 2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.810 5.995 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.724 5.558 0.551 1.00 0.00 H new ATOM 0 HG LEU A 64 82.989 4.027 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.416 2.371 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.626 3.950 2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.168 3.444 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 64 83.865 2.250 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.625 3.318 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.818 3.745 1.518 1.00 0.00 H new ATOM 993 N MET A 65 84.007 8.385 0.956 1.00 0.00 N ATOM 994 CA MET A 65 84.492 9.300 -0.076 1.00 0.00 C ATOM 995 C MET A 65 85.969 9.618 0.126 1.00 0.00 C ATOM 996 O MET A 65 86.786 9.390 -0.766 1.00 0.00 O ATOM 997 CB MET A 65 83.683 10.598 -0.057 1.00 0.00 C ATOM 998 CG MET A 65 82.224 10.287 -0.385 1.00 0.00 C ATOM 999 SD MET A 65 81.210 11.754 -0.070 1.00 0.00 S ATOM 1000 CE MET A 65 80.925 12.205 -1.795 1.00 0.00 C ATOM 0 H MET A 65 83.264 8.759 1.546 1.00 0.00 H new ATOM 0 HA MET A 65 84.369 8.810 -1.042 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.755 11.071 0.923 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.089 11.304 -0.782 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.131 9.984 -1.428 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.873 9.452 0.222 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.400 13.159 -1.840 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.881 12.293 -2.311 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.322 11.436 -2.277 1.00 0.00 H new ATOM 1010 N GLU A 66 86.310 10.137 1.299 1.00 0.00 N ATOM 1011 CA GLU A 66 87.700 10.467 1.589 1.00 0.00 C ATOM 1012 C GLU A 66 88.550 9.207 1.507 1.00 0.00 C ATOM 1013 O GLU A 66 89.727 9.255 1.152 1.00 0.00 O ATOM 1014 CB GLU A 66 87.815 11.078 2.987 1.00 0.00 C ATOM 1015 CG GLU A 66 87.083 12.421 3.020 1.00 0.00 C ATOM 1016 CD GLU A 66 87.853 13.454 2.203 1.00 0.00 C ATOM 1017 OE1 GLU A 66 89.063 13.516 2.352 1.00 0.00 O ATOM 1018 OE2 GLU A 66 87.222 14.168 1.441 1.00 0.00 O1- ATOM 0 H GLU A 66 85.655 10.336 2.055 1.00 0.00 H new ATOM 0 HA GLU A 66 88.054 11.192 0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.388 10.401 3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.864 11.217 3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.076 12.306 2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 66 86.979 12.763 4.050 1.00 0.00 H new ATOM 1025 N TYR A 67 87.934 8.079 1.833 1.00 0.00 N ATOM 1026 CA TYR A 67 88.619 6.795 1.790 1.00 0.00 C ATOM 1027 C TYR A 67 88.713 6.293 0.351 1.00 0.00 C ATOM 1028 O TYR A 67 89.619 5.536 0.003 1.00 0.00 O ATOM 1029 CB TYR A 67 87.855 5.786 2.653 1.00 0.00 C ATOM 1030 CG TYR A 67 88.326 4.380 2.363 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.739 3.647 1.323 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.340 3.805 3.138 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.168 2.342 1.058 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.768 2.499 2.874 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.183 1.767 1.833 1.00 0.00 C ATOM 1036 OH TYR A 67 89.604 0.479 1.573 1.00 0.00 O ATOM 0 H TYR A 67 86.960 8.027 2.131 1.00 0.00 H new ATOM 0 HA TYR A 67 89.630 6.913 2.179 1.00 0.00 H new ATOM 0 HB2 TYR A 67 88.003 6.015 3.708 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.786 5.866 2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 67 86.955 4.089 0.726 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.792 4.369 3.940 1.00 0.00 H new ATOM 0 HE1 TYR A 67 87.716 1.778 0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.550 2.055 3.473 1.00 0.00 H new ATOM 0 HH TYR A 67 90.118 0.465 0.739 1.00 0.00 H new ATOM 1046 N LEU A 68 87.763 6.719 -0.478 1.00 0.00 N ATOM 1047 CA LEU A 68 87.731 6.306 -1.878 1.00 0.00 C ATOM 1048 C LEU A 68 88.710 7.133 -2.712 1.00 0.00 C ATOM 1049 O LEU A 68 89.051 6.757 -3.835 1.00 0.00 O ATOM 1050 CB LEU A 68 86.304 6.462 -2.433 1.00 0.00 C ATOM 1051 CG LEU A 68 85.518 5.150 -2.268 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.059 5.373 -2.669 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.112 4.057 -3.158 1.00 0.00 C ATOM 0 H LEU A 68 87.008 7.348 -0.205 1.00 0.00 H new ATOM 0 HA LEU A 68 88.031 5.260 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.790 7.269 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.345 6.739 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 68 85.578 4.839 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.503 4.443 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.620 6.141 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.013 5.695 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.545 3.135 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.064 4.371 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.151 3.885 -2.879 1.00 0.00 H new ATOM 1065 N GLU A 69 89.164 8.257 -2.160 1.00 0.00 N ATOM 1066 CA GLU A 69 90.107 9.121 -2.870 1.00 0.00 C ATOM 1067 C GLU A 69 91.534 8.843 -2.404 1.00 0.00 C ATOM 1068 O GLU A 69 92.501 9.309 -3.008 1.00 0.00 O ATOM 1069 CB GLU A 69 89.753 10.597 -2.627 1.00 0.00 C ATOM 1070 CG GLU A 69 90.546 11.150 -1.436 1.00 0.00 C ATOM 1071 CD GLU A 69 89.912 12.447 -0.944 1.00 0.00 C ATOM 1072 OE1 GLU A 69 89.106 13.003 -1.671 1.00 0.00 O ATOM 1073 OE2 GLU A 69 90.243 12.864 0.153 1.00 0.00 O1- ATOM 0 H GLU A 69 88.898 8.589 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 69 90.040 8.910 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 69 89.972 11.182 -3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.684 10.694 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 69 90.566 10.417 -0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.580 11.330 -1.729 1.00 0.00 H new ATOM 1080 N ASN A 70 91.650 8.083 -1.323 1.00 0.00 N ATOM 1081 CA ASN A 70 92.956 7.744 -0.767 1.00 0.00 C ATOM 1082 C ASN A 70 92.796 6.717 0.354 1.00 0.00 C ATOM 1083 O ASN A 70 93.071 6.998 1.520 1.00 0.00 O ATOM 1084 CB ASN A 70 93.634 9.010 -0.231 1.00 0.00 C ATOM 1085 CG ASN A 70 95.151 8.852 -0.269 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.860 9.768 -0.685 1.00 0.00 O ATOM 1087 ND2 ASN A 70 95.694 7.740 0.142 1.00 0.00 N ATOM 0 H ASN A 70 90.858 7.690 -0.814 1.00 0.00 H new ATOM 0 HA ASN A 70 93.578 7.312 -1.551 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.336 9.872 -0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.307 9.202 0.791 1.00 0.00 H new ATOM 0 HD21 ASN A 70 96.708 7.628 0.119 1.00 0.00 H new ATOM 0 HD22 ASN A 70 95.105 6.982 0.487 1.00 0.00 H new ATOM 1094 N PRO A 71 92.338 5.543 0.009 1.00 0.00 N ATOM 1095 CA PRO A 71 92.106 4.435 0.982 1.00 0.00 C ATOM 1096 C PRO A 71 93.247 4.250 1.985 1.00 0.00 C ATOM 1097 O PRO A 71 93.009 3.927 3.149 1.00 0.00 O ATOM 1098 CB PRO A 71 91.975 3.200 0.086 1.00 0.00 C ATOM 1099 CG PRO A 71 91.472 3.713 -1.224 1.00 0.00 C ATOM 1100 CD PRO A 71 91.990 5.146 -1.366 1.00 0.00 C ATOM 0 HA PRO A 71 91.233 4.633 1.604 1.00 0.00 H new ATOM 0 HB2 PRO A 71 92.934 2.696 -0.031 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.284 2.474 0.515 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.827 3.090 -2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.383 3.691 -1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 71 92.857 5.193 -2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.231 5.803 -1.790 1.00 0.00 H new ATOM 1108 N LYS A 72 94.479 4.427 1.526 1.00 0.00 N ATOM 1109 CA LYS A 72 95.637 4.243 2.398 1.00 0.00 C ATOM 1110 C LYS A 72 95.832 5.427 3.341 1.00 0.00 C ATOM 1111 O LYS A 72 96.042 5.244 4.539 1.00 0.00 O ATOM 1112 CB LYS A 72 96.896 4.056 1.545 1.00 0.00 C ATOM 1113 CG LYS A 72 98.115 3.797 2.445 1.00 0.00 C ATOM 1114 CD LYS A 72 98.155 2.324 2.882 1.00 0.00 C ATOM 1115 CE LYS A 72 98.292 1.409 1.659 1.00 0.00 C ATOM 1116 NZ LYS A 72 99.165 0.251 2.004 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.703 4.694 0.568 1.00 0.00 H new ATOM 0 HA LYS A 72 95.459 3.357 3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.758 3.221 0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.067 4.944 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.030 4.049 1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.071 4.442 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.992 2.162 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 72 97.246 2.076 3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 72 97.310 1.057 1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.717 1.963 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 99.693 -0.049 1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 99.834 0.530 2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 98.578 -0.537 2.343 1.00 0.00 H new ATOM 1130 N LYS A 73 95.788 6.634 2.796 1.00 0.00 N ATOM 1131 CA LYS A 73 95.989 7.825 3.611 1.00 0.00 C ATOM 1132 C LYS A 73 94.930 7.930 4.705 1.00 0.00 C ATOM 1133 O LYS A 73 95.188 8.477 5.778 1.00 0.00 O ATOM 1134 CB LYS A 73 95.954 9.080 2.733 1.00 0.00 C ATOM 1135 CG LYS A 73 96.334 10.317 3.567 1.00 0.00 C ATOM 1136 CD LYS A 73 95.070 11.080 3.990 1.00 0.00 C ATOM 1137 CE LYS A 73 94.623 12.011 2.859 1.00 0.00 C ATOM 1138 NZ LYS A 73 93.439 12.799 3.304 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.617 6.815 1.807 1.00 0.00 H new ATOM 0 HA LYS A 73 96.967 7.744 4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.645 8.968 1.897 1.00 0.00 H new ATOM 0 HB3 LYS A 73 94.958 9.209 2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.895 10.011 4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 73 96.985 10.970 2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 73 94.273 10.377 4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 73 95.268 11.658 4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 73 95.437 12.682 2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.374 11.429 1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 93.135 13.432 2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 92.662 12.151 3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 93.692 13.365 4.139 1.00 0.00 H new ATOM 1152 N TYR A 74 93.736 7.410 4.432 1.00 0.00 N ATOM 1153 CA TYR A 74 92.656 7.464 5.412 1.00 0.00 C ATOM 1154 C TYR A 74 92.994 6.601 6.626 1.00 0.00 C ATOM 1155 O TYR A 74 93.022 7.088 7.756 1.00 0.00 O ATOM 1156 CB TYR A 74 91.342 6.987 4.777 1.00 0.00 C ATOM 1157 CG TYR A 74 90.181 7.762 5.363 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.096 9.146 5.165 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.193 7.101 6.103 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.025 9.867 5.707 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.122 7.822 6.644 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.039 9.206 6.447 1.00 0.00 C ATOM 1163 OH TYR A 74 86.983 9.917 6.981 1.00 0.00 O ATOM 0 H TYR A 74 93.494 6.953 3.553 1.00 0.00 H new ATOM 0 HA TYR A 74 92.537 8.496 5.740 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.377 7.127 3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.207 5.920 4.956 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.857 9.657 4.594 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.257 6.034 6.257 1.00 0.00 H new ATOM 0 HE1 TYR A 74 88.960 10.934 5.554 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.360 7.311 7.213 1.00 0.00 H new ATOM 0 HH TYR A 74 86.388 9.306 7.464 1.00 0.00 H new ATOM 1173 N ILE A 75 93.257 5.320 6.382 1.00 0.00 N ATOM 1174 CA ILE A 75 93.602 4.394 7.459 1.00 0.00 C ATOM 1175 C ILE A 75 94.900 3.660 7.124 1.00 0.00 C ATOM 1176 O ILE A 75 94.889 2.463 6.834 1.00 0.00 O ATOM 1177 CB ILE A 75 92.474 3.378 7.660 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.142 4.117 7.835 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.757 2.539 8.909 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.982 3.144 7.613 1.00 0.00 C ATOM 0 H ILE A 75 93.238 4.900 5.453 1.00 0.00 H new ATOM 0 HA ILE A 75 93.740 4.963 8.379 1.00 0.00 H new ATOM 0 HB ILE A 75 92.416 2.726 6.788 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.082 4.548 8.834 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.077 4.943 7.127 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.954 1.816 9.051 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.703 2.011 8.786 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.816 3.192 9.780 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.036 3.671 7.738 1.00 0.00 H new ATOM 0 HD12 ILE A 75 90.039 2.734 6.605 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.044 2.333 8.338 1.00 0.00 H new ATOM 1192 N PRO A 76 96.008 4.357 7.153 1.00 0.00 N ATOM 1193 CA PRO A 76 97.341 3.767 6.840 1.00 0.00 C ATOM 1194 C PRO A 76 97.524 2.386 7.462 1.00 0.00 C ATOM 1195 O PRO A 76 97.295 2.195 8.655 1.00 0.00 O ATOM 1196 CB PRO A 76 98.320 4.777 7.437 1.00 0.00 C ATOM 1197 CG PRO A 76 97.611 6.091 7.367 1.00 0.00 C ATOM 1198 CD PRO A 76 96.112 5.788 7.490 1.00 0.00 C ATOM 0 HA PRO A 76 97.482 3.606 5.771 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.574 4.520 8.465 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.253 4.802 6.875 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.940 6.752 8.169 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.828 6.599 6.427 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.746 5.988 8.497 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.523 6.402 6.808 1.00 0.00 H new ATOM 1206 N GLY A 77 97.938 1.425 6.639 1.00 0.00 N ATOM 1207 CA GLY A 77 98.150 0.058 7.108 1.00 0.00 C ATOM 1208 C GLY A 77 97.193 -0.903 6.413 1.00 0.00 C ATOM 1209 O GLY A 77 97.523 -2.066 6.185 1.00 0.00 O ATOM 0 H GLY A 77 98.133 1.567 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.180 -0.243 6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.001 0.011 8.187 1.00 0.00 H new ATOM 1213 N THR A 78 96.008 -0.406 6.077 1.00 0.00 N ATOM 1214 CA THR A 78 95.005 -1.225 5.406 1.00 0.00 C ATOM 1215 C THR A 78 95.576 -1.833 4.129 1.00 0.00 C ATOM 1216 O THR A 78 96.262 -1.156 3.364 1.00 0.00 O ATOM 1217 CB THR A 78 93.788 -0.370 5.058 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.755 -1.202 4.548 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.183 0.663 4.006 1.00 0.00 C ATOM 0 H THR A 78 95.719 0.555 6.257 1.00 0.00 H new ATOM 0 HA THR A 78 94.710 -2.030 6.079 1.00 0.00 H new ATOM 0 HB THR A 78 93.430 0.141 5.952 1.00 0.00 H new ATOM 0 HG1 THR A 78 91.973 -0.654 4.326 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.317 1.276 3.755 1.00 0.00 H new ATOM 0 HG22 THR A 78 94.975 1.299 4.400 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.539 0.153 3.111 1.00 0.00 H new ATOM 1227 N LYS A 79 95.289 -3.111 3.901 1.00 0.00 N ATOM 1228 CA LYS A 79 95.787 -3.785 2.703 1.00 0.00 C ATOM 1229 C LYS A 79 94.890 -3.487 1.503 1.00 0.00 C ATOM 1230 O LYS A 79 93.922 -4.201 1.249 1.00 0.00 O ATOM 1231 CB LYS A 79 95.846 -5.300 2.929 1.00 0.00 C ATOM 1232 CG LYS A 79 96.889 -5.634 4.008 1.00 0.00 C ATOM 1233 CD LYS A 79 97.685 -6.879 3.598 1.00 0.00 C ATOM 1234 CE LYS A 79 96.747 -8.086 3.520 1.00 0.00 C ATOM 1235 NZ LYS A 79 97.553 -9.340 3.505 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.724 -3.694 4.518 1.00 0.00 H new ATOM 0 HA LYS A 79 96.790 -3.410 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 79 94.866 -5.668 3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 79 96.101 -5.805 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 79 97.564 -4.790 4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 79 96.394 -5.807 4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 79 98.164 -6.715 2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 79 98.479 -7.069 4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 79 96.067 -8.088 4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 79 96.132 -8.025 2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 96.917 -10.161 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 98.184 -9.337 2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 98.121 -9.398 4.374 1.00 0.00 H new ATOM 1249 N MET A 80 95.227 -2.434 0.763 1.00 0.00 N ATOM 1250 CA MET A 80 94.450 -2.059 -0.415 1.00 0.00 C ATOM 1251 C MET A 80 95.142 -0.934 -1.177 1.00 0.00 C ATOM 1252 O MET A 80 95.011 0.240 -0.828 1.00 0.00 O ATOM 1253 CB MET A 80 93.043 -1.610 -0.006 1.00 0.00 C ATOM 1254 CG MET A 80 92.309 -1.051 -1.230 1.00 0.00 C ATOM 1255 SD MET A 80 90.523 -1.044 -0.922 1.00 0.00 S ATOM 1256 CE MET A 80 90.137 0.453 -1.862 1.00 0.00 C ATOM 0 H MET A 80 96.026 -1.830 0.956 1.00 0.00 H new ATOM 0 HA MET A 80 94.373 -2.932 -1.063 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.488 -2.450 0.411 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.104 -0.850 0.773 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.655 -0.039 -1.443 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.534 -1.656 -2.108 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.213 0.304 -2.421 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.015 1.292 -1.177 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.950 0.667 -2.556 1.00 0.00 H new ATOM 1266 N ILE A 81 95.880 -1.302 -2.220 1.00 0.00 N ATOM 1267 CA ILE A 81 96.595 -0.323 -3.032 1.00 0.00 C ATOM 1268 C ILE A 81 96.372 -0.601 -4.517 1.00 0.00 C ATOM 1269 O ILE A 81 97.050 -1.442 -5.108 1.00 0.00 O ATOM 1270 CB ILE A 81 98.093 -0.378 -2.720 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.328 -0.036 -1.238 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.831 0.633 -3.600 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.219 -1.302 -0.376 1.00 0.00 C ATOM 0 H ILE A 81 95.998 -2.269 -2.522 1.00 0.00 H new ATOM 0 HA ILE A 81 96.213 0.670 -2.795 1.00 0.00 H new ATOM 0 HB ILE A 81 98.468 -1.382 -2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.313 0.414 -1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.597 0.702 -0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.898 0.596 -3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.668 0.389 -4.650 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.453 1.635 -3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.387 -1.046 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.225 -1.734 -0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.968 -2.026 -0.697 1.00 0.00 H new ATOM 1285 N PHE A 82 95.417 0.109 -5.112 1.00 0.00 N ATOM 1286 CA PHE A 82 95.107 -0.069 -6.529 1.00 0.00 C ATOM 1287 C PHE A 82 95.062 1.279 -7.243 1.00 0.00 C ATOM 1288 O PHE A 82 95.963 1.613 -8.012 1.00 0.00 O ATOM 1289 CB PHE A 82 93.757 -0.775 -6.681 1.00 0.00 C ATOM 1290 CG PHE A 82 93.446 -0.962 -8.148 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.259 -1.786 -8.937 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.344 -0.314 -8.721 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.972 -1.960 -10.295 1.00 0.00 C ATOM 1294 CE2 PHE A 82 92.056 -0.491 -10.080 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.870 -1.314 -10.867 1.00 0.00 C ATOM 0 H PHE A 82 94.847 0.810 -4.639 1.00 0.00 H new ATOM 0 HA PHE A 82 95.890 -0.678 -6.980 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.782 -1.742 -6.178 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.972 -0.188 -6.204 1.00 0.00 H new ATOM 0 HD1 PHE A 82 95.108 -2.287 -8.496 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.716 0.322 -8.115 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.601 -2.593 -10.903 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.206 0.008 -10.521 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.648 -1.450 -11.915 1.00 0.00 H new ATOM 1305 N ALA A 83 94.010 2.049 -6.983 1.00 0.00 N ATOM 1306 CA ALA A 83 93.860 3.358 -7.608 1.00 0.00 C ATOM 1307 C ALA A 83 92.670 4.103 -7.013 1.00 0.00 C ATOM 1308 O ALA A 83 91.523 3.687 -7.171 1.00 0.00 O ATOM 1309 CB ALA A 83 93.660 3.198 -9.117 1.00 0.00 C ATOM 0 H ALA A 83 93.254 1.792 -6.349 1.00 0.00 H new ATOM 0 HA ALA A 83 94.766 3.934 -7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.549 4.181 -9.576 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.525 2.693 -9.547 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.764 2.607 -9.305 1.00 0.00 H new ATOM 1315 N GLY A 84 92.953 5.206 -6.327 1.00 0.00 N ATOM 1316 CA GLY A 84 91.897 6.003 -5.713 1.00 0.00 C ATOM 1317 C GLY A 84 91.008 6.643 -6.773 1.00 0.00 C ATOM 1318 O GLY A 84 91.265 6.519 -7.970 1.00 0.00 O ATOM 0 H GLY A 84 93.896 5.566 -6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.294 5.372 -5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.339 6.779 -5.088 1.00 0.00 H new ATOM 1322 N ILE A 85 89.963 7.329 -6.322 1.00 0.00 N ATOM 1323 CA ILE A 85 89.036 7.990 -7.239 1.00 0.00 C ATOM 1324 C ILE A 85 89.515 9.408 -7.545 1.00 0.00 C ATOM 1325 O ILE A 85 90.315 9.975 -6.801 1.00 0.00 O ATOM 1326 CB ILE A 85 87.640 8.030 -6.614 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.081 6.599 -6.503 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.710 8.887 -7.477 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.336 6.214 -7.786 1.00 0.00 C ATOM 0 H ILE A 85 89.736 7.443 -5.334 1.00 0.00 H new ATOM 0 HA ILE A 85 88.997 7.429 -8.173 1.00 0.00 H new ATOM 0 HB ILE A 85 87.704 8.468 -5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.895 5.897 -6.323 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.407 6.531 -5.649 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.717 8.912 -7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.105 9.901 -7.541 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.645 8.459 -8.477 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.947 5.200 -7.691 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.509 6.906 -7.948 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.021 6.262 -8.633 1.00 0.00 H new ATOM 1341 N LYS A 86 89.032 9.973 -8.650 1.00 0.00 N ATOM 1342 CA LYS A 86 89.433 11.321 -9.051 1.00 0.00 C ATOM 1343 C LYS A 86 88.390 12.362 -8.643 1.00 0.00 C ATOM 1344 O LYS A 86 88.630 13.171 -7.745 1.00 0.00 O ATOM 1345 CB LYS A 86 89.634 11.373 -10.567 1.00 0.00 C ATOM 1346 CG LYS A 86 90.929 10.646 -10.937 1.00 0.00 C ATOM 1347 CD LYS A 86 90.983 10.440 -12.453 1.00 0.00 C ATOM 1348 CE LYS A 86 92.399 10.032 -12.863 1.00 0.00 C ATOM 1349 NZ LYS A 86 92.378 9.483 -14.248 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.368 9.523 -9.280 1.00 0.00 H new ATOM 0 HA LYS A 86 90.368 11.555 -8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 86 88.787 10.909 -11.073 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.678 12.409 -10.903 1.00 0.00 H new ATOM 0 HG2 LYS A 86 91.791 11.226 -10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 86 90.977 9.684 -10.427 1.00 0.00 H new ATOM 0 HD2 LYS A 86 90.271 9.671 -12.752 1.00 0.00 H new ATOM 0 HD3 LYS A 86 90.695 11.358 -12.966 1.00 0.00 H new ATOM 0 HE2 LYS A 86 93.066 10.893 -12.812 1.00 0.00 H new ATOM 0 HE3 LYS A 86 92.788 9.286 -12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 93.341 9.206 -14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 91.755 8.651 -14.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.024 10.208 -14.904 1.00 0.00 H new ATOM 1363 N LYS A 87 87.243 12.354 -9.320 1.00 0.00 N ATOM 1364 CA LYS A 87 86.187 13.324 -9.027 1.00 0.00 C ATOM 1365 C LYS A 87 85.353 12.894 -7.824 1.00 0.00 C ATOM 1366 O LYS A 87 85.329 11.718 -7.456 1.00 0.00 O ATOM 1367 CB LYS A 87 85.273 13.481 -10.245 1.00 0.00 C ATOM 1368 CG LYS A 87 86.095 13.927 -11.461 1.00 0.00 C ATOM 1369 CD LYS A 87 86.262 15.450 -11.449 1.00 0.00 C ATOM 1370 CE LYS A 87 86.937 15.898 -12.746 1.00 0.00 C ATOM 1371 NZ LYS A 87 86.858 17.382 -12.862 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.022 11.695 -10.067 1.00 0.00 H new ATOM 0 HA LYS A 87 86.664 14.276 -8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.773 12.536 -10.460 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.494 14.213 -10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 87 87.073 13.445 -11.446 1.00 0.00 H new ATOM 0 HG3 LYS A 87 85.600 13.614 -12.380 1.00 0.00 H new ATOM 0 HD2 LYS A 87 85.290 15.933 -11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 87 86.861 15.754 -10.591 1.00 0.00 H new ATOM 0 HE2 LYS A 87 87.979 15.577 -12.756 1.00 0.00 H new ATOM 0 HE3 LYS A 87 86.451 15.430 -13.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 87.317 17.686 -13.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 85.861 17.677 -12.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 87.341 17.820 -12.052 1.00 0.00 H new ATOM 1385 N LYS A 88 84.663 13.856 -7.219 1.00 0.00 N ATOM 1386 CA LYS A 88 83.822 13.569 -6.064 1.00 0.00 C ATOM 1387 C LYS A 88 82.590 12.783 -6.492 1.00 0.00 C ATOM 1388 O LYS A 88 82.144 11.883 -5.784 1.00 0.00 O ATOM 1389 CB LYS A 88 83.392 14.869 -5.380 1.00 0.00 C ATOM 1390 CG LYS A 88 82.884 14.559 -3.968 1.00 0.00 C ATOM 1391 CD LYS A 88 82.494 15.863 -3.258 1.00 0.00 C ATOM 1392 CE LYS A 88 81.037 16.208 -3.577 1.00 0.00 C ATOM 1393 NZ LYS A 88 80.679 17.499 -2.922 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.670 14.834 -7.507 1.00 0.00 H new ATOM 0 HA LYS A 88 84.400 12.972 -5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.232 15.562 -5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.609 15.356 -5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 88 82.024 13.891 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.656 14.041 -3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 88 82.625 15.755 -2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 88 83.148 16.673 -3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.897 16.284 -4.655 1.00 0.00 H new ATOM 0 HE3 LYS A 88 80.378 15.414 -3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 79.689 17.735 -3.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 80.797 17.411 -1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 81.300 18.253 -3.278 1.00 0.00 H new ATOM 1407 N THR A 89 82.044 13.124 -7.656 1.00 0.00 N ATOM 1408 CA THR A 89 80.865 12.428 -8.158 1.00 0.00 C ATOM 1409 C THR A 89 81.192 10.965 -8.417 1.00 0.00 C ATOM 1410 O THR A 89 80.321 10.103 -8.339 1.00 0.00 O ATOM 1411 CB THR A 89 80.366 13.071 -9.449 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.436 13.152 -10.381 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.832 14.473 -9.154 1.00 0.00 C ATOM 0 H THR A 89 82.393 13.867 -8.261 1.00 0.00 H new ATOM 0 HA THR A 89 80.082 12.499 -7.403 1.00 0.00 H new ATOM 0 HB THR A 89 79.564 12.464 -9.870 1.00 0.00 H new ATOM 0 HG1 THR A 89 81.116 13.563 -11.211 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.477 14.929 -10.078 1.00 0.00 H new ATOM 0 HG22 THR A 89 79.009 14.407 -8.442 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.629 15.084 -8.731 1.00 0.00 H new ATOM 1421 N GLU A 90 82.457 10.689 -8.714 1.00 0.00 N ATOM 1422 CA GLU A 90 82.876 9.318 -8.962 1.00 0.00 C ATOM 1423 C GLU A 90 82.763 8.529 -7.666 1.00 0.00 C ATOM 1424 O GLU A 90 82.394 7.356 -7.667 1.00 0.00 O ATOM 1425 CB GLU A 90 84.321 9.286 -9.472 1.00 0.00 C ATOM 1426 CG GLU A 90 84.349 9.607 -10.967 1.00 0.00 C ATOM 1427 CD GLU A 90 85.792 9.743 -11.443 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.629 10.107 -10.633 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 86.038 9.481 -12.608 1.00 0.00 O ATOM 0 H GLU A 90 83.199 11.385 -8.788 1.00 0.00 H new ATOM 0 HA GLU A 90 82.235 8.873 -9.723 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.926 10.008 -8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.758 8.304 -9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.845 8.819 -11.526 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.805 10.532 -11.159 1.00 0.00 H new ATOM 1436 N ARG A 91 83.063 9.201 -6.558 1.00 0.00 N ATOM 1437 CA ARG A 91 82.974 8.578 -5.247 1.00 0.00 C ATOM 1438 C ARG A 91 81.516 8.477 -4.823 1.00 0.00 C ATOM 1439 O ARG A 91 81.053 7.416 -4.412 1.00 0.00 O ATOM 1440 CB ARG A 91 83.740 9.409 -4.217 1.00 0.00 C ATOM 1441 CG ARG A 91 85.198 9.552 -4.653 1.00 0.00 C ATOM 1442 CD ARG A 91 86.019 10.197 -3.528 1.00 0.00 C ATOM 1443 NE ARG A 91 86.367 11.567 -3.886 1.00 0.00 N ATOM 1444 CZ ARG A 91 86.772 12.439 -2.967 1.00 0.00 C ATOM 1445 NH1 ARG A 91 86.874 12.074 -1.717 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.070 13.660 -3.314 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.369 10.174 -6.545 1.00 0.00 H new ATOM 0 HA ARG A 91 83.410 7.581 -5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.282 10.393 -4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.688 8.931 -3.239 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.610 8.574 -4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.259 10.161 -5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.448 10.189 -2.600 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.925 9.618 -3.350 1.00 0.00 H new ATOM 0 HE ARG A 91 86.299 11.862 -4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.643 11.119 -1.444 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.185 12.744 -1.014 1.00 0.00 H new ATOM 0 HH21 ARG A 91 86.992 13.946 -4.290 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.381 14.329 -2.609 1.00 0.00 H new ATOM 1460 N GLU A 92 80.798 9.591 -4.928 1.00 0.00 N ATOM 1461 CA GLU A 92 79.391 9.616 -4.552 1.00 0.00 C ATOM 1462 C GLU A 92 78.619 8.560 -5.336 1.00 0.00 C ATOM 1463 O GLU A 92 77.934 7.720 -4.753 1.00 0.00 O ATOM 1464 CB GLU A 92 78.798 10.999 -4.830 1.00 0.00 C ATOM 1465 CG GLU A 92 77.439 11.121 -4.137 1.00 0.00 C ATOM 1466 CD GLU A 92 76.795 12.458 -4.488 1.00 0.00 C ATOM 1467 OE1 GLU A 92 76.765 12.789 -5.661 1.00 0.00 O ATOM 1468 OE2 GLU A 92 76.341 13.131 -3.577 1.00 0.00 O1- ATOM 0 H GLU A 92 81.164 10.480 -5.267 1.00 0.00 H new ATOM 0 HA GLU A 92 79.310 9.399 -3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.473 11.775 -4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.685 11.149 -5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.789 10.302 -4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.563 11.040 -3.057 1.00 0.00 H new ATOM 1475 N ASP A 93 78.743 8.602 -6.659 1.00 0.00 N ATOM 1476 CA ASP A 93 78.059 7.633 -7.506 1.00 0.00 C ATOM 1477 C ASP A 93 78.498 6.220 -7.137 1.00 0.00 C ATOM 1478 O ASP A 93 77.672 5.323 -6.974 1.00 0.00 O ATOM 1479 CB ASP A 93 78.376 7.901 -8.977 1.00 0.00 C ATOM 1480 CG ASP A 93 77.999 9.334 -9.339 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.377 9.988 -8.518 1.00 0.00 O ATOM 1482 OD2 ASP A 93 78.337 9.756 -10.433 1.00 0.00 O1- ATOM 0 H ASP A 93 79.304 9.289 -7.163 1.00 0.00 H new ATOM 0 HA ASP A 93 76.984 7.729 -7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.437 7.737 -9.165 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.829 7.202 -9.609 1.00 0.00 H new ATOM 1487 N LEU A 94 79.807 6.033 -7.001 1.00 0.00 N ATOM 1488 CA LEU A 94 80.351 4.729 -6.642 1.00 0.00 C ATOM 1489 C LEU A 94 79.808 4.283 -5.297 1.00 0.00 C ATOM 1490 O LEU A 94 79.585 3.095 -5.064 1.00 0.00 O ATOM 1491 CB LEU A 94 81.879 4.803 -6.560 1.00 0.00 C ATOM 1492 CG LEU A 94 82.443 3.464 -6.083 1.00 0.00 C ATOM 1493 CD1 LEU A 94 81.963 2.344 -7.006 1.00 0.00 C ATOM 1494 CD2 LEU A 94 83.972 3.524 -6.102 1.00 0.00 C ATOM 0 H LEU A 94 80.507 6.763 -7.133 1.00 0.00 H new ATOM 0 HA LEU A 94 80.057 4.012 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.292 5.054 -7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.177 5.597 -5.875 1.00 0.00 H new ATOM 0 HG LEU A 94 82.097 3.265 -5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.367 1.392 -6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.874 2.302 -6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.305 2.538 -8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.378 2.571 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.316 3.724 -7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.313 4.320 -5.440 1.00 0.00 H new ATOM 1506 N ILE A 95 79.613 5.246 -4.406 1.00 0.00 N ATOM 1507 CA ILE A 95 79.114 4.944 -3.078 1.00 0.00 C ATOM 1508 C ILE A 95 77.616 4.679 -3.118 1.00 0.00 C ATOM 1509 O ILE A 95 77.094 3.898 -2.322 1.00 0.00 O ATOM 1510 CB ILE A 95 79.450 6.095 -2.122 1.00 0.00 C ATOM 1511 CG1 ILE A 95 80.927 5.967 -1.699 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.551 6.026 -0.882 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.571 7.349 -1.544 1.00 0.00 C ATOM 0 H ILE A 95 79.792 6.235 -4.580 1.00 0.00 H new ATOM 0 HA ILE A 95 79.599 4.040 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 95 79.284 7.050 -2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 95 80.994 5.422 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.474 5.387 -2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.796 6.847 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.507 6.105 -1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.710 5.077 -0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.613 7.233 -1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.523 7.881 -2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.036 7.916 -0.783 1.00 0.00 H new ATOM 1525 N ALA A 96 76.931 5.308 -4.064 1.00 0.00 N ATOM 1526 CA ALA A 96 75.499 5.098 -4.204 1.00 0.00 C ATOM 1527 C ALA A 96 75.245 3.637 -4.554 1.00 0.00 C ATOM 1528 O ALA A 96 74.277 3.028 -4.093 1.00 0.00 O ATOM 1529 CB ALA A 96 74.937 6.006 -5.298 1.00 0.00 C ATOM 0 H ALA A 96 77.338 5.958 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 96 75.001 5.342 -3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.864 5.840 -5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.121 7.048 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.425 5.779 -6.246 1.00 0.00 H new ATOM 1535 N TYR A 97 76.142 3.073 -5.358 1.00 0.00 N ATOM 1536 CA TYR A 97 76.025 1.678 -5.747 1.00 0.00 C ATOM 1537 C TYR A 97 76.402 0.788 -4.569 1.00 0.00 C ATOM 1538 O TYR A 97 75.627 -0.072 -4.162 1.00 0.00 O ATOM 1539 CB TYR A 97 76.937 1.373 -6.938 1.00 0.00 C ATOM 1540 CG TYR A 97 76.976 -0.121 -7.172 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.896 -0.761 -7.793 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.087 -0.867 -6.761 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.928 -2.145 -8.002 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.119 -2.250 -6.973 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.040 -2.890 -7.593 1.00 0.00 C ATOM 1546 OH TYR A 97 77.071 -4.253 -7.800 1.00 0.00 O ATOM 0 H TYR A 97 76.950 3.558 -5.748 1.00 0.00 H new ATOM 0 HA TYR A 97 74.994 1.481 -6.040 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.572 1.882 -7.830 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.942 1.748 -6.746 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.038 -0.187 -8.111 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.920 -0.375 -6.280 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.094 -2.638 -8.479 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.978 -2.824 -6.658 1.00 0.00 H new ATOM 0 HH TYR A 97 77.988 -4.532 -8.001 1.00 0.00 H new ATOM 1556 N LEU A 98 77.594 1.010 -4.019 1.00 0.00 N ATOM 1557 CA LEU A 98 78.051 0.227 -2.880 1.00 0.00 C ATOM 1558 C LEU A 98 76.942 0.125 -1.834 1.00 0.00 C ATOM 1559 O LEU A 98 76.913 -0.809 -1.034 1.00 0.00 O ATOM 1560 CB LEU A 98 79.289 0.886 -2.251 1.00 0.00 C ATOM 1561 CG LEU A 98 80.550 0.505 -3.046 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.629 1.575 -2.872 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.092 -0.826 -2.529 1.00 0.00 C ATOM 0 H LEU A 98 78.253 1.719 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 98 78.311 -0.773 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.169 1.969 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.393 0.567 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 98 80.288 0.423 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.516 1.293 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.254 2.532 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.887 1.664 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.986 -1.098 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.343 -0.731 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.335 -1.600 -2.654 1.00 0.00 H new ATOM 1575 N LYS A 99 76.035 1.098 -1.846 1.00 0.00 N ATOM 1576 CA LYS A 99 74.933 1.113 -0.891 1.00 0.00 C ATOM 1577 C LYS A 99 73.842 0.127 -1.298 1.00 0.00 C ATOM 1578 O LYS A 99 73.363 -0.654 -0.476 1.00 0.00 O ATOM 1579 CB LYS A 99 74.344 2.524 -0.789 1.00 0.00 C ATOM 1580 CG LYS A 99 75.222 3.383 0.126 1.00 0.00 C ATOM 1581 CD LYS A 99 74.745 4.836 0.081 1.00 0.00 C ATOM 1582 CE LYS A 99 73.312 4.929 0.616 1.00 0.00 C ATOM 1583 NZ LYS A 99 73.046 6.317 1.085 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.041 1.880 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 99 75.324 0.813 0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.282 2.976 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.328 2.477 -0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.177 3.007 1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.263 3.322 -0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 99 75.407 5.464 0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.786 5.210 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 99 72.602 4.655 -0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.172 4.224 1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 72.074 6.380 1.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.715 6.562 1.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 73.163 6.980 0.292 1.00 0.00 H new ATOM 1597 N LYS A 100 73.446 0.169 -2.566 1.00 0.00 N ATOM 1598 CA LYS A 100 72.402 -0.729 -3.057 1.00 0.00 C ATOM 1599 C LYS A 100 72.972 -2.115 -3.354 1.00 0.00 C ATOM 1600 O LYS A 100 72.228 -3.085 -3.500 1.00 0.00 O ATOM 1601 CB LYS A 100 71.770 -0.153 -4.328 1.00 0.00 C ATOM 1602 CG LYS A 100 70.401 -0.808 -4.569 1.00 0.00 C ATOM 1603 CD LYS A 100 70.123 -0.903 -6.075 1.00 0.00 C ATOM 1604 CE LYS A 100 70.785 -2.160 -6.647 1.00 0.00 C ATOM 1605 NZ LYS A 100 70.961 -2.003 -8.119 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.825 0.806 -3.266 1.00 0.00 H new ATOM 0 HA LYS A 100 71.642 -0.823 -2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 100 71.655 0.927 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 100 72.423 -0.329 -5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.381 -1.803 -4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 100 69.619 -0.225 -4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 100 69.048 -0.933 -6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 100 70.506 -0.017 -6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 100 71.751 -2.324 -6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 100 70.172 -3.036 -6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 71.411 -2.856 -8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 70.032 -1.866 -8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 71.563 -1.177 -8.310 1.00 0.00 H new ATOM 1619 N ALA A 101 74.295 -2.201 -3.442 1.00 0.00 N ATOM 1620 CA ALA A 101 74.955 -3.471 -3.724 1.00 0.00 C ATOM 1621 C ALA A 101 75.189 -4.251 -2.436 1.00 0.00 C ATOM 1622 O ALA A 101 75.165 -5.482 -2.431 1.00 0.00 O ATOM 1623 CB ALA A 101 76.293 -3.218 -4.420 1.00 0.00 C ATOM 0 H ALA A 101 74.929 -1.411 -3.323 1.00 0.00 H new ATOM 0 HA ALA A 101 74.310 -4.058 -4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.781 -4.170 -4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 101 76.121 -2.686 -5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.932 -2.617 -3.773 1.00 0.00 H new ATOM 1629 N THR A 102 75.413 -3.526 -1.345 1.00 0.00 N ATOM 1630 CA THR A 102 75.650 -4.159 -0.052 1.00 0.00 C ATOM 1631 C THR A 102 74.328 -4.404 0.656 1.00 0.00 C ATOM 1632 O THR A 102 74.285 -4.976 1.747 1.00 0.00 O ATOM 1633 CB THR A 102 76.531 -3.260 0.813 1.00 0.00 C ATOM 1634 OG1 THR A 102 75.933 -1.978 0.912 1.00 0.00 O ATOM 1635 CG2 THR A 102 77.914 -3.133 0.174 1.00 0.00 C ATOM 0 H THR A 102 75.435 -2.506 -1.329 1.00 0.00 H new ATOM 0 HA THR A 102 76.154 -5.112 -0.214 1.00 0.00 H new ATOM 0 HB THR A 102 76.633 -3.693 1.808 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.528 -1.308 0.515 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.543 -2.491 0.791 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.370 -4.120 0.095 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.817 -2.697 -0.820 1.00 0.00 H new ATOM 1643 N ASN A 103 73.250 -3.958 0.021 1.00 0.00 N ATOM 1644 CA ASN A 103 71.914 -4.117 0.576 1.00 0.00 C ATOM 1645 C ASN A 103 71.241 -5.349 -0.018 1.00 0.00 C ATOM 1646 O ASN A 103 70.326 -5.918 0.577 1.00 0.00 O ATOM 1647 CB ASN A 103 71.083 -2.874 0.260 1.00 0.00 C ATOM 1648 CG ASN A 103 71.453 -1.741 1.209 1.00 0.00 C ATOM 1649 OD1 ASN A 103 70.628 -0.873 1.491 1.00 0.00 O ATOM 1650 ND2 ASN A 103 72.650 -1.700 1.719 1.00 0.00 N ATOM 0 H ASN A 103 73.277 -3.482 -0.881 1.00 0.00 H new ATOM 0 HA ASN A 103 71.988 -4.243 1.656 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.254 -2.565 -0.771 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.021 -3.104 0.352 1.00 0.00 H new ATOM 0 HD21 ASN A 103 72.908 -0.946 2.356 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.330 -2.422 1.482 1.00 0.00 H new ATOM 1657 N GLU A 104 71.706 -5.753 -1.196 1.00 0.00 N ATOM 1658 CA GLU A 104 71.147 -6.921 -1.873 1.00 0.00 C ATOM 1659 C GLU A 104 70.833 -8.028 -0.871 1.00 0.00 C ATOM 1660 O GLU A 104 71.613 -8.207 0.049 1.00 0.00 O ATOM 1661 CB GLU A 104 72.137 -7.442 -2.916 1.00 0.00 C ATOM 1662 CG GLU A 104 72.309 -6.401 -4.024 1.00 0.00 C ATOM 1663 CD GLU A 104 73.413 -6.836 -4.981 1.00 0.00 C ATOM 1664 OE1 GLU A 104 74.571 -6.666 -4.637 1.00 0.00 O ATOM 1665 OE2 GLU A 104 73.085 -7.335 -6.046 1.00 0.00 O1- ATOM 1666 OXT GLU A 104 69.816 -8.680 -1.039 1.00 0.00 O ATOM 0 H GLU A 104 72.464 -5.293 -1.700 1.00 0.00 H new ATOM 0 HA GLU A 104 70.222 -6.621 -2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 104 73.098 -7.651 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 104 71.777 -8.381 -3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 104 71.372 -6.278 -4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 104 72.554 -5.432 -3.589 1.00 0.00 H new