USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 888 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 53 ASN : amide:sc= -2.67 K(o=-4.5,f=-12!) USER MOD Set 1.2: A 58 THR OG1 : rot -110:sc= -1.84 USER MOD Set 2.1: A 34 SER OG : rot -61:sc= 0.64 USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= 0.816 USER MOD Set 3.1: A 2 THR OG1 : rot 180:sc= -0.772 USER MOD Set 3.2: A 9 LYS NZ :NH3+ 156:sc= -0.518 (180deg=-0.917) USER MOD Single : A 1 ALA N :NH3+ -127:sc= 0.0865 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.438 K(o=-0.44,f=-3.1!) USER MOD Single : A 19 ASN : amide:sc= -0.302 X(o=-0.3,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.0553 K(o=-0.055,f=-0.95) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.523 K(o=-0.52,f=-2.5) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.112) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.43) USER MOD Single : A 46 HIS : no HE2:sc= -0.229 K(o=-0.23,f=-0.75) USER MOD Single : A 48 HIS : no HD1:sc= -0.568 X(o=-0.57,f=-0.48) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0335 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.49) USER MOD Single : A 65 ASN : amide:sc= -0.548 K(o=-0.55,f=-2) USER MOD Single : A 68 SER OG : rot -56:sc= 0.154 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.841 X(o=-0.84,f=-0.85) USER MOD Single : A 86 ASN : amide:sc= -3.24 X(o=-3.2,f=-3.5!) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.746 USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0407) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 106:sc= 0.748 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -0.0807 X(o=-0.081,f=-0.26) USER MOD Single : A 111 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -130:sc= 0 USER MOD Single : A 120 HIS :FLIP no HD1:sc= -0.124 F(o=-0.7,f=-0.12) USER MOD Single : A 122 LYS NZ :NH3+ 161:sc= 0.0131 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -20.610 -1.696 -17.841 1.00 0.00 N ATOM 2 CA ALA A 1 -20.491 -2.417 -19.101 1.00 0.00 C ATOM 3 C ALA A 1 -19.033 -2.732 -19.418 1.00 0.00 C ATOM 4 O ALA A 1 -18.160 -2.613 -18.557 1.00 0.00 O ATOM 5 CB ALA A 1 -21.116 -1.613 -20.232 1.00 0.00 C ATOM 0 H1 ALA A 1 -21.288 -2.186 -17.223 1.00 0.00 H new ATOM 0 H2 ALA A 1 -19.681 -1.657 -17.374 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.946 -0.729 -18.025 1.00 0.00 H new ATOM 0 HA ALA A 1 -21.027 -3.361 -19.002 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -21.019 -2.165 -21.167 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -22.171 -1.444 -20.018 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -20.606 -0.654 -20.322 1.00 0.00 H new ATOM 11 N THR A 2 -18.775 -3.136 -20.658 1.00 0.00 N ATOM 12 CA THR A 2 -17.424 -3.471 -21.087 1.00 0.00 C ATOM 13 C THR A 2 -17.406 -3.929 -22.541 1.00 0.00 C ATOM 14 O THR A 2 -16.486 -3.607 -23.293 1.00 0.00 O ATOM 15 CB THR A 2 -16.811 -4.576 -20.205 1.00 0.00 C ATOM 16 OG1 THR A 2 -15.729 -5.210 -20.897 1.00 0.00 O ATOM 17 CG2 THR A 2 -17.859 -5.614 -19.833 1.00 0.00 C ATOM 0 H THR A 2 -19.485 -3.239 -21.383 1.00 0.00 H new ATOM 0 HA THR A 2 -16.828 -2.564 -20.987 1.00 0.00 H new ATOM 0 HB THR A 2 -16.437 -4.116 -19.290 1.00 0.00 H new ATOM 0 HG1 THR A 2 -15.343 -5.910 -20.330 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.403 -6.384 -19.210 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.668 -5.133 -19.282 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.258 -6.069 -20.739 1.00 0.00 H new ATOM 25 N LYS A 3 -18.429 -4.681 -22.932 1.00 0.00 N ATOM 26 CA LYS A 3 -18.533 -5.182 -24.298 1.00 0.00 C ATOM 27 C LYS A 3 -19.924 -5.747 -24.565 1.00 0.00 C ATOM 28 O LYS A 3 -20.103 -6.587 -25.446 1.00 0.00 O ATOM 29 CB LYS A 3 -17.476 -6.259 -24.550 1.00 0.00 C ATOM 30 CG LYS A 3 -17.783 -7.583 -23.871 1.00 0.00 C ATOM 31 CD LYS A 3 -17.535 -7.513 -22.374 1.00 0.00 C ATOM 32 CE LYS A 3 -16.556 -8.586 -21.921 1.00 0.00 C ATOM 33 NZ LYS A 3 -17.175 -9.940 -21.926 1.00 0.00 N1+ ATOM 0 H LYS A 3 -19.199 -4.957 -22.322 1.00 0.00 H new ATOM 0 HA LYS A 3 -18.362 -4.348 -24.979 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.386 -6.423 -25.624 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.509 -5.896 -24.200 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.822 -7.855 -24.056 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.165 -8.368 -24.307 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.144 -6.529 -22.114 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.479 -7.632 -21.842 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.685 -8.583 -22.576 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -16.201 -8.353 -20.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -16.476 -10.643 -21.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -17.991 -9.951 -21.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -17.491 -10.174 -22.889 1.00 0.00 H new ATOM 47 N ALA A 4 -20.905 -5.280 -23.800 1.00 0.00 N ATOM 48 CA ALA A 4 -22.280 -5.736 -23.957 1.00 0.00 C ATOM 49 C ALA A 4 -23.017 -4.909 -25.005 1.00 0.00 C ATOM 50 O ALA A 4 -24.035 -5.339 -25.548 1.00 0.00 O ATOM 51 CB ALA A 4 -23.011 -5.678 -22.626 1.00 0.00 C ATOM 0 H ALA A 4 -20.773 -4.586 -23.065 1.00 0.00 H new ATOM 0 HA ALA A 4 -22.256 -6.770 -24.300 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -24.037 -6.022 -22.759 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -22.504 -6.319 -21.904 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -23.017 -4.652 -22.259 1.00 0.00 H new ATOM 57 N VAL A 5 -22.498 -3.717 -25.284 1.00 0.00 N ATOM 58 CA VAL A 5 -23.107 -2.829 -26.267 1.00 0.00 C ATOM 59 C VAL A 5 -22.147 -2.542 -27.417 1.00 0.00 C ATOM 60 O VAL A 5 -22.522 -2.631 -28.587 1.00 0.00 O ATOM 61 CB VAL A 5 -23.537 -1.495 -25.627 1.00 0.00 C ATOM 62 CG1 VAL A 5 -24.318 -0.653 -26.623 1.00 0.00 C ATOM 63 CG2 VAL A 5 -24.357 -1.747 -24.371 1.00 0.00 C ATOM 0 H VAL A 5 -21.657 -3.344 -24.843 1.00 0.00 H new ATOM 0 HA VAL A 5 -23.989 -3.340 -26.653 1.00 0.00 H new ATOM 0 HB VAL A 5 -22.641 -0.942 -25.344 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -24.613 0.285 -26.153 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -23.693 -0.443 -27.491 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -25.208 -1.196 -26.940 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -24.652 -0.794 -23.932 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -25.248 -2.320 -24.627 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -23.759 -2.308 -23.653 1.00 0.00 H new ATOM 73 N CYS A 6 -20.910 -2.199 -27.077 1.00 0.00 N ATOM 74 CA CYS A 6 -19.897 -1.898 -28.081 1.00 0.00 C ATOM 75 C CYS A 6 -18.546 -1.627 -27.427 1.00 0.00 C ATOM 76 O CYS A 6 -18.145 -0.475 -27.261 1.00 0.00 O ATOM 77 CB CYS A 6 -20.322 -0.693 -28.921 1.00 0.00 C ATOM 78 SG CYS A 6 -19.649 -0.686 -30.599 1.00 0.00 S ATOM 0 H CYS A 6 -20.584 -2.122 -26.113 1.00 0.00 H new ATOM 0 HA CYS A 6 -19.797 -2.767 -28.731 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -21.410 -0.669 -28.978 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -20.009 0.219 -28.412 1.00 0.00 H new ATOM 0 HG CYS A 6 -20.067 0.371 -31.230 1.00 0.00 H new ATOM 84 N VAL A 7 -17.850 -2.696 -27.054 1.00 0.00 N ATOM 85 CA VAL A 7 -16.544 -2.573 -26.417 1.00 0.00 C ATOM 86 C VAL A 7 -16.487 -1.348 -25.512 1.00 0.00 C ATOM 87 O VAL A 7 -15.642 -0.470 -25.689 1.00 0.00 O ATOM 88 CB VAL A 7 -15.416 -2.478 -27.462 1.00 0.00 C ATOM 89 CG1 VAL A 7 -15.219 -3.816 -28.158 1.00 0.00 C ATOM 90 CG2 VAL A 7 -15.716 -1.380 -28.471 1.00 0.00 C ATOM 0 H VAL A 7 -18.168 -3.657 -27.182 1.00 0.00 H new ATOM 0 HA VAL A 7 -16.399 -3.472 -25.817 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.489 -2.224 -26.949 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.418 -3.730 -28.893 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.955 -4.574 -27.421 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.142 -4.104 -28.660 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.909 -1.327 -29.202 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.653 -1.601 -28.981 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.801 -0.424 -27.954 1.00 0.00 H new ATOM 100 N LEU A 8 -17.390 -1.296 -24.538 1.00 0.00 N ATOM 101 CA LEU A 8 -17.444 -0.179 -23.603 1.00 0.00 C ATOM 102 C LEU A 8 -16.142 -0.064 -22.816 1.00 0.00 C ATOM 103 O LEU A 8 -15.846 0.978 -22.233 1.00 0.00 O ATOM 104 CB LEU A 8 -18.621 -0.349 -22.641 1.00 0.00 C ATOM 105 CG LEU A 8 -19.386 0.926 -22.283 1.00 0.00 C ATOM 106 CD1 LEU A 8 -20.854 0.790 -22.657 1.00 0.00 C ATOM 107 CD2 LEU A 8 -19.237 1.238 -20.801 1.00 0.00 C ATOM 0 H LEU A 8 -18.095 -2.015 -24.376 1.00 0.00 H new ATOM 0 HA LEU A 8 -17.582 0.737 -24.178 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -19.323 -1.059 -23.079 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -18.249 -0.796 -21.719 1.00 0.00 H new ATOM 0 HG LEU A 8 -18.963 1.754 -22.852 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -21.383 1.707 -22.395 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -20.942 0.614 -23.729 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -21.291 -0.049 -22.115 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -19.788 2.148 -20.564 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -19.634 0.410 -20.213 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -18.183 1.379 -20.563 1.00 0.00 H new ATOM 119 N LYS A 9 -15.367 -1.144 -22.805 1.00 0.00 N ATOM 120 CA LYS A 9 -14.094 -1.165 -22.094 1.00 0.00 C ATOM 121 C LYS A 9 -12.945 -0.791 -23.024 1.00 0.00 C ATOM 122 O LYS A 9 -11.792 -0.715 -22.602 1.00 0.00 O ATOM 123 CB LYS A 9 -13.847 -2.550 -21.492 1.00 0.00 C ATOM 124 CG LYS A 9 -12.797 -2.556 -20.394 1.00 0.00 C ATOM 125 CD LYS A 9 -13.284 -1.828 -19.152 1.00 0.00 C ATOM 126 CE LYS A 9 -14.474 -2.534 -18.522 1.00 0.00 C ATOM 127 NZ LYS A 9 -14.181 -3.964 -18.232 1.00 0.00 N1+ ATOM 0 H LYS A 9 -15.599 -2.016 -23.281 1.00 0.00 H new ATOM 0 HA LYS A 9 -14.142 -0.429 -21.291 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.784 -2.935 -21.090 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.537 -3.231 -22.284 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.543 -3.585 -20.138 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.885 -2.084 -20.759 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.473 -1.762 -18.427 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.562 -0.807 -19.413 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.750 -2.026 -17.598 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.332 -2.468 -19.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.807 -4.299 -17.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.341 -4.532 -19.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.190 -4.061 -17.933 1.00 0.00 H new ATOM 141 N GLY A 10 -13.267 -0.555 -24.292 1.00 0.00 N ATOM 142 CA GLY A 10 -12.251 -0.190 -25.261 1.00 0.00 C ATOM 143 C GLY A 10 -12.719 0.895 -26.211 1.00 0.00 C ATOM 144 O GLY A 10 -12.598 0.758 -27.428 1.00 0.00 O ATOM 0 H GLY A 10 -14.215 -0.610 -24.666 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.359 0.151 -24.736 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.966 -1.072 -25.834 1.00 0.00 H new ATOM 148 N ASP A 11 -13.255 1.975 -25.654 1.00 0.00 N ATOM 149 CA ASP A 11 -13.742 3.089 -26.460 1.00 0.00 C ATOM 150 C ASP A 11 -13.341 4.424 -25.842 1.00 0.00 C ATOM 151 O ASP A 11 -13.960 5.453 -26.108 1.00 0.00 O ATOM 152 CB ASP A 11 -15.264 3.015 -26.602 1.00 0.00 C ATOM 153 CG ASP A 11 -15.693 2.341 -27.891 1.00 0.00 C ATOM 154 OD1 ASP A 11 -14.900 1.545 -28.436 1.00 0.00 O ATOM 155 OD2 ASP A 11 -16.821 2.609 -28.352 1.00 0.00 O1- ATOM 0 H ASP A 11 -13.363 2.103 -24.648 1.00 0.00 H new ATOM 0 HA ASP A 11 -13.288 3.016 -27.448 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.679 2.469 -25.755 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -15.679 4.022 -26.567 1.00 0.00 H new ATOM 160 N GLY A 12 -12.301 4.398 -25.014 1.00 0.00 N ATOM 161 CA GLY A 12 -11.836 5.613 -24.370 1.00 0.00 C ATOM 162 C GLY A 12 -12.890 6.237 -23.477 1.00 0.00 C ATOM 163 O GLY A 12 -13.142 7.441 -23.524 1.00 0.00 O ATOM 0 H GLY A 12 -11.773 3.558 -24.778 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.949 5.390 -23.778 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.538 6.333 -25.132 1.00 0.00 H new ATOM 167 N PRO A 13 -13.529 5.405 -22.640 1.00 0.00 N ATOM 168 CA PRO A 13 -14.574 5.860 -21.717 1.00 0.00 C ATOM 169 C PRO A 13 -14.016 6.723 -20.591 1.00 0.00 C ATOM 170 O PRO A 13 -14.445 7.861 -20.397 1.00 0.00 O ATOM 171 CB PRO A 13 -15.145 4.554 -21.158 1.00 0.00 C ATOM 172 CG PRO A 13 -14.037 3.568 -21.290 1.00 0.00 C ATOM 173 CD PRO A 13 -13.280 3.958 -22.530 1.00 0.00 C ATOM 0 HA PRO A 13 -15.314 6.486 -22.215 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -15.451 4.669 -20.118 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -16.026 4.236 -21.716 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.389 3.590 -20.414 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -14.426 2.553 -21.373 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.216 3.739 -22.437 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.641 3.420 -23.407 1.00 0.00 H new ATOM 181 N VAL A 14 -13.059 6.175 -19.850 1.00 0.00 N ATOM 182 CA VAL A 14 -12.442 6.896 -18.743 1.00 0.00 C ATOM 183 C VAL A 14 -11.213 7.670 -19.208 1.00 0.00 C ATOM 184 O VAL A 14 -10.743 8.577 -18.523 1.00 0.00 O ATOM 185 CB VAL A 14 -12.033 5.939 -17.608 1.00 0.00 C ATOM 186 CG1 VAL A 14 -13.247 5.197 -17.072 1.00 0.00 C ATOM 187 CG2 VAL A 14 -10.971 4.962 -18.092 1.00 0.00 C ATOM 0 H VAL A 14 -12.694 5.234 -19.996 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.188 7.596 -18.367 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.609 6.528 -16.795 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.938 4.525 -16.271 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.971 5.915 -16.686 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.703 4.618 -17.875 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.694 4.293 -17.277 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.366 4.377 -18.923 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.092 5.515 -18.423 1.00 0.00 H new ATOM 197 N GLN A 15 -10.698 7.305 -20.379 1.00 0.00 N ATOM 198 CA GLN A 15 -9.523 7.965 -20.935 1.00 0.00 C ATOM 199 C GLN A 15 -9.927 9.029 -21.951 1.00 0.00 C ATOM 200 O GLN A 15 -9.460 10.166 -21.893 1.00 0.00 O ATOM 201 CB GLN A 15 -8.599 6.939 -21.593 1.00 0.00 C ATOM 202 CG GLN A 15 -7.203 7.470 -21.874 1.00 0.00 C ATOM 203 CD GLN A 15 -6.380 7.644 -20.613 1.00 0.00 C ATOM 204 OE1 GLN A 15 -6.901 7.562 -19.501 1.00 0.00 O ATOM 205 NE2 GLN A 15 -5.085 7.885 -20.780 1.00 0.00 N ATOM 0 H GLN A 15 -11.076 6.557 -20.960 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.990 8.452 -20.118 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.523 6.064 -20.947 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.047 6.606 -22.529 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.687 6.786 -22.548 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.280 8.428 -22.388 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.695 7.945 -21.720 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.481 8.010 -19.968 1.00 0.00 H new ATOM 214 N GLY A 16 -10.797 8.650 -22.882 1.00 0.00 N ATOM 215 CA GLY A 16 -11.248 9.583 -23.898 1.00 0.00 C ATOM 216 C GLY A 16 -12.074 10.715 -23.320 1.00 0.00 C ATOM 217 O GLY A 16 -12.022 11.843 -23.812 1.00 0.00 O ATOM 0 H GLY A 16 -11.197 7.714 -22.951 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.383 9.997 -24.417 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.840 9.048 -24.641 1.00 0.00 H new ATOM 221 N ILE A 17 -12.838 10.415 -22.276 1.00 0.00 N ATOM 222 CA ILE A 17 -13.677 11.417 -21.631 1.00 0.00 C ATOM 223 C ILE A 17 -12.881 12.234 -20.620 1.00 0.00 C ATOM 224 O ILE A 17 -13.253 13.359 -20.285 1.00 0.00 O ATOM 225 CB ILE A 17 -14.880 10.770 -20.918 1.00 0.00 C ATOM 226 CG1 ILE A 17 -15.703 9.943 -21.909 1.00 0.00 C ATOM 227 CG2 ILE A 17 -15.745 11.837 -20.265 1.00 0.00 C ATOM 228 CD1 ILE A 17 -16.885 9.244 -21.275 1.00 0.00 C ATOM 0 H ILE A 17 -12.894 9.486 -21.858 1.00 0.00 H new ATOM 0 HA ILE A 17 -14.043 12.076 -22.419 1.00 0.00 H new ATOM 0 HB ILE A 17 -14.507 10.105 -20.139 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -16.061 10.595 -22.705 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -15.057 9.198 -22.373 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.591 11.364 -19.765 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -15.153 12.388 -19.534 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.112 12.525 -21.027 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -17.423 8.677 -22.035 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -16.533 8.566 -20.498 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -17.553 9.985 -20.835 1.00 0.00 H new ATOM 240 N ILE A 18 -11.783 11.662 -20.140 1.00 0.00 N ATOM 241 CA ILE A 18 -10.932 12.339 -19.168 1.00 0.00 C ATOM 242 C ILE A 18 -10.296 13.587 -19.771 1.00 0.00 C ATOM 243 O ILE A 18 -10.139 14.603 -19.095 1.00 0.00 O ATOM 244 CB ILE A 18 -9.818 11.409 -18.650 1.00 0.00 C ATOM 245 CG1 ILE A 18 -10.090 11.013 -17.197 1.00 0.00 C ATOM 246 CG2 ILE A 18 -8.462 12.085 -18.777 1.00 0.00 C ATOM 247 CD1 ILE A 18 -10.066 12.182 -16.239 1.00 0.00 C ATOM 0 H ILE A 18 -11.461 10.732 -20.408 1.00 0.00 H new ATOM 0 HA ILE A 18 -11.572 12.626 -18.334 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.808 10.504 -19.257 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.063 10.525 -17.138 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.346 10.281 -16.883 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.686 11.415 -18.407 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.269 12.321 -19.824 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.458 13.004 -18.191 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.266 11.828 -15.228 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.086 12.657 -16.269 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.829 12.905 -16.528 1.00 0.00 H new ATOM 259 N ASN A 19 -9.933 13.503 -21.047 1.00 0.00 N ATOM 260 CA ASN A 19 -9.316 14.627 -21.741 1.00 0.00 C ATOM 261 C ASN A 19 -10.363 15.444 -22.493 1.00 0.00 C ATOM 262 O ASN A 19 -10.157 16.622 -22.781 1.00 0.00 O ATOM 263 CB ASN A 19 -8.248 14.127 -22.714 1.00 0.00 C ATOM 264 CG ASN A 19 -6.841 14.392 -22.215 1.00 0.00 C ATOM 265 OD1 ASN A 19 -6.232 15.409 -22.548 1.00 0.00 O ATOM 266 ND2 ASN A 19 -6.316 13.474 -21.410 1.00 0.00 N ATOM 0 H ASN A 19 -10.056 12.669 -21.621 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.847 15.269 -20.995 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.378 13.057 -22.873 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.385 14.612 -23.680 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.373 13.598 -21.042 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.856 12.646 -21.160 1.00 0.00 H new ATOM 273 N PHE A 20 -11.487 14.808 -22.808 1.00 0.00 N ATOM 274 CA PHE A 20 -12.566 15.475 -23.526 1.00 0.00 C ATOM 275 C PHE A 20 -13.430 16.295 -22.572 1.00 0.00 C ATOM 276 O PHE A 20 -13.916 17.369 -22.927 1.00 0.00 O ATOM 277 CB PHE A 20 -13.431 14.447 -24.259 1.00 0.00 C ATOM 278 CG PHE A 20 -12.913 14.092 -25.624 1.00 0.00 C ATOM 279 CD1 PHE A 20 -11.562 13.862 -25.829 1.00 0.00 C ATOM 280 CD2 PHE A 20 -13.777 13.987 -26.701 1.00 0.00 C ATOM 281 CE1 PHE A 20 -11.083 13.536 -27.083 1.00 0.00 C ATOM 282 CE2 PHE A 20 -13.304 13.661 -27.958 1.00 0.00 C ATOM 283 CZ PHE A 20 -11.954 13.434 -28.149 1.00 0.00 C ATOM 0 H PHE A 20 -11.674 13.832 -22.577 1.00 0.00 H new ATOM 0 HA PHE A 20 -12.119 16.151 -24.255 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -13.494 13.541 -23.656 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -14.444 14.838 -24.354 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.876 13.939 -24.999 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -14.833 14.162 -26.557 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -10.027 13.361 -27.229 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -13.988 13.584 -28.790 1.00 0.00 H new ATOM 0 HZ PHE A 20 -11.582 13.177 -29.130 1.00 0.00 H new ATOM 293 N GLU A 21 -13.617 15.779 -21.361 1.00 0.00 N ATOM 294 CA GLU A 21 -14.423 16.463 -20.357 1.00 0.00 C ATOM 295 C GLU A 21 -13.586 17.482 -19.588 1.00 0.00 C ATOM 296 O GLU A 21 -14.119 18.301 -18.842 1.00 0.00 O ATOM 297 CB GLU A 21 -15.033 15.451 -19.385 1.00 0.00 C ATOM 298 CG GLU A 21 -16.167 16.018 -18.548 1.00 0.00 C ATOM 299 CD GLU A 21 -16.832 14.967 -17.679 1.00 0.00 C ATOM 300 OE1 GLU A 21 -16.699 13.767 -17.992 1.00 0.00 O ATOM 301 OE2 GLU A 21 -17.486 15.349 -16.685 1.00 0.00 O1- ATOM 0 H GLU A 21 -13.222 14.891 -21.052 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.225 16.992 -20.871 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -15.402 14.595 -19.950 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.252 15.082 -18.721 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.782 16.817 -17.915 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.912 16.464 -19.207 1.00 0.00 H new ATOM 308 N GLN A 22 -12.271 17.423 -19.779 1.00 0.00 N ATOM 309 CA GLN A 22 -11.361 18.338 -19.103 1.00 0.00 C ATOM 310 C GLN A 22 -10.931 19.466 -20.036 1.00 0.00 C ATOM 311 O GLN A 22 -10.757 20.607 -19.609 1.00 0.00 O ATOM 312 CB GLN A 22 -10.131 17.586 -18.592 1.00 0.00 C ATOM 313 CG GLN A 22 -10.368 16.850 -17.283 1.00 0.00 C ATOM 314 CD GLN A 22 -9.108 16.206 -16.740 1.00 0.00 C ATOM 315 OE1 GLN A 22 -8.053 16.245 -17.374 1.00 0.00 O ATOM 316 NE2 GLN A 22 -9.210 15.607 -15.559 1.00 0.00 N ATOM 0 H GLN A 22 -11.814 16.752 -20.396 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.889 18.773 -18.255 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.813 16.870 -19.349 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.313 18.293 -18.458 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.762 17.548 -16.544 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.128 16.083 -17.434 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.104 15.598 -15.067 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.395 15.156 -15.144 1.00 0.00 H new ATOM 325 N LYS A 23 -10.759 19.138 -21.312 1.00 0.00 N ATOM 326 CA LYS A 23 -10.349 20.121 -22.307 1.00 0.00 C ATOM 327 C LYS A 23 -11.547 20.926 -22.801 1.00 0.00 C ATOM 328 O LYS A 23 -11.431 22.118 -23.085 1.00 0.00 O ATOM 329 CB LYS A 23 -9.665 19.429 -23.487 1.00 0.00 C ATOM 330 CG LYS A 23 -8.317 18.822 -23.138 1.00 0.00 C ATOM 331 CD LYS A 23 -7.283 19.894 -22.836 1.00 0.00 C ATOM 332 CE LYS A 23 -6.562 19.620 -21.526 1.00 0.00 C ATOM 333 NZ LYS A 23 -6.998 20.550 -20.447 1.00 0.00 N1+ ATOM 0 H LYS A 23 -10.898 18.197 -21.682 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.642 20.805 -21.836 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.320 18.645 -23.867 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.531 20.151 -24.293 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.425 18.166 -22.274 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.970 18.204 -23.966 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.558 19.941 -23.649 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.771 20.868 -22.787 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.749 18.592 -21.217 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.487 19.717 -21.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.483 20.330 -19.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.796 21.530 -20.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.019 20.440 -20.285 1.00 0.00 H new ATOM 347 N GLU A 24 -12.698 20.267 -22.900 1.00 0.00 N ATOM 348 CA GLU A 24 -13.915 20.923 -23.360 1.00 0.00 C ATOM 349 C GLU A 24 -14.594 21.673 -22.217 1.00 0.00 C ATOM 350 O GLU A 24 -15.649 22.281 -22.399 1.00 0.00 O ATOM 351 CB GLU A 24 -14.882 19.895 -23.954 1.00 0.00 C ATOM 352 CG GLU A 24 -15.771 20.458 -25.049 1.00 0.00 C ATOM 353 CD GLU A 24 -16.788 19.451 -25.550 1.00 0.00 C ATOM 354 OE1 GLU A 24 -17.420 18.777 -24.711 1.00 0.00 O ATOM 355 OE2 GLU A 24 -16.950 19.338 -26.784 1.00 0.00 O1- ATOM 0 H GLU A 24 -12.812 19.280 -22.668 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.640 21.642 -24.132 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.309 19.060 -24.356 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.510 19.496 -23.157 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.292 21.338 -24.672 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.150 20.787 -25.882 1.00 0.00 H new ATOM 362 N SER A 25 -13.979 21.626 -21.039 1.00 0.00 N ATOM 363 CA SER A 25 -14.526 22.297 -19.865 1.00 0.00 C ATOM 364 C SER A 25 -13.571 23.378 -19.366 1.00 0.00 C ATOM 365 O SER A 25 -13.820 24.017 -18.343 1.00 0.00 O ATOM 366 CB SER A 25 -14.794 21.284 -18.751 1.00 0.00 C ATOM 367 OG SER A 25 -16.099 20.743 -18.858 1.00 0.00 O ATOM 0 H SER A 25 -13.103 21.131 -20.872 1.00 0.00 H new ATOM 0 HA SER A 25 -15.466 22.769 -20.150 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.059 20.481 -18.801 1.00 0.00 H new ATOM 0 HB3 SER A 25 -14.675 21.766 -17.781 1.00 0.00 H new ATOM 0 HG SER A 25 -16.246 20.097 -18.136 1.00 0.00 H new ATOM 373 N ASN A 26 -12.480 23.579 -20.096 1.00 0.00 N ATOM 374 CA ASN A 26 -11.487 24.582 -19.728 1.00 0.00 C ATOM 375 C ASN A 26 -10.940 25.286 -20.966 1.00 0.00 C ATOM 376 O ASN A 26 -10.696 26.492 -20.950 1.00 0.00 O ATOM 377 CB ASN A 26 -10.342 23.934 -18.947 1.00 0.00 C ATOM 378 CG ASN A 26 -10.677 23.741 -17.482 1.00 0.00 C ATOM 379 OD1 ASN A 26 -10.436 24.622 -16.656 1.00 0.00 O ATOM 380 ND2 ASN A 26 -11.237 22.583 -17.151 1.00 0.00 N ATOM 0 H ASN A 26 -12.260 23.061 -20.947 1.00 0.00 H new ATOM 0 HA ASN A 26 -11.974 25.324 -19.096 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -10.103 22.968 -19.392 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -9.450 24.554 -19.034 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -11.485 22.396 -16.180 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -11.419 21.881 -17.868 1.00 0.00 H new ATOM 387 N GLY A 27 -10.750 24.524 -22.038 1.00 0.00 N ATOM 388 CA GLY A 27 -10.233 25.091 -23.270 1.00 0.00 C ATOM 389 C GLY A 27 -11.098 26.220 -23.795 1.00 0.00 C ATOM 390 O GLY A 27 -10.802 27.399 -23.601 1.00 0.00 O ATOM 0 H GLY A 27 -10.945 23.523 -22.076 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.222 25.461 -23.100 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.164 24.309 -24.026 1.00 0.00 H new ATOM 394 N PRO A 28 -12.194 25.863 -24.479 1.00 0.00 N ATOM 395 CA PRO A 28 -13.127 26.840 -25.050 1.00 0.00 C ATOM 396 C PRO A 28 -13.918 27.580 -23.977 1.00 0.00 C ATOM 397 O PRO A 28 -14.870 28.300 -24.280 1.00 0.00 O ATOM 398 CB PRO A 28 -14.060 25.983 -25.907 1.00 0.00 C ATOM 399 CG PRO A 28 -14.005 24.628 -25.289 1.00 0.00 C ATOM 400 CD PRO A 28 -12.610 24.475 -24.749 1.00 0.00 C ATOM 0 HA PRO A 28 -12.609 27.619 -25.610 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -15.076 26.379 -25.903 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.731 25.958 -26.946 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.744 24.532 -24.494 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.226 23.854 -26.025 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.594 23.867 -23.844 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.951 23.991 -25.470 1.00 0.00 H new ATOM 408 N VAL A 29 -13.519 27.397 -22.722 1.00 0.00 N ATOM 409 CA VAL A 29 -14.191 28.049 -21.604 1.00 0.00 C ATOM 410 C VAL A 29 -13.319 29.144 -21.002 1.00 0.00 C ATOM 411 O VAL A 29 -13.794 30.243 -20.712 1.00 0.00 O ATOM 412 CB VAL A 29 -14.558 27.037 -20.502 1.00 0.00 C ATOM 413 CG1 VAL A 29 -15.421 27.695 -19.437 1.00 0.00 C ATOM 414 CG2 VAL A 29 -15.265 25.830 -21.102 1.00 0.00 C ATOM 0 H VAL A 29 -12.734 26.803 -22.454 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.105 28.492 -21.999 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.639 26.693 -20.028 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -15.670 26.964 -18.668 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -14.875 28.524 -18.987 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -16.338 28.069 -19.892 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -15.517 25.125 -20.310 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -16.177 26.154 -21.603 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.608 25.345 -21.824 1.00 0.00 H new ATOM 424 N LYS A 30 -12.039 28.839 -20.816 1.00 0.00 N ATOM 425 CA LYS A 30 -11.098 29.798 -20.250 1.00 0.00 C ATOM 426 C LYS A 30 -10.209 30.394 -21.336 1.00 0.00 C ATOM 427 O LYS A 30 -9.915 31.590 -21.325 1.00 0.00 O ATOM 428 CB LYS A 30 -10.233 29.124 -19.182 1.00 0.00 C ATOM 429 CG LYS A 30 -10.819 29.210 -17.783 1.00 0.00 C ATOM 430 CD LYS A 30 -10.515 27.959 -16.975 1.00 0.00 C ATOM 431 CE LYS A 30 -11.773 27.385 -16.341 1.00 0.00 C ATOM 432 NZ LYS A 30 -12.422 28.356 -15.417 1.00 0.00 N1+ ATOM 0 H LYS A 30 -11.630 27.934 -21.049 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.671 30.604 -19.791 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.096 28.075 -19.446 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.245 29.585 -19.182 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.414 30.083 -17.271 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.898 29.350 -17.847 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.058 27.210 -17.621 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.789 28.195 -16.197 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.477 27.102 -17.123 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.522 26.476 -15.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.076 27.851 -14.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.694 28.835 -14.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.950 29.061 -15.970 1.00 0.00 H new ATOM 446 N VAL A 31 -9.785 29.554 -22.275 1.00 0.00 N ATOM 447 CA VAL A 31 -8.932 29.999 -23.371 1.00 0.00 C ATOM 448 C VAL A 31 -9.694 30.910 -24.327 1.00 0.00 C ATOM 449 O VAL A 31 -9.099 31.573 -25.176 1.00 0.00 O ATOM 450 CB VAL A 31 -8.363 28.805 -24.159 1.00 0.00 C ATOM 451 CG1 VAL A 31 -7.258 29.264 -25.099 1.00 0.00 C ATOM 452 CG2 VAL A 31 -7.855 27.731 -23.209 1.00 0.00 C ATOM 0 H VAL A 31 -10.018 28.561 -22.299 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.108 30.556 -22.925 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.164 28.375 -24.760 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.868 28.407 -25.648 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.659 29.993 -25.803 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.455 29.721 -24.521 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.457 26.895 -23.784 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.068 28.145 -22.579 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.676 27.382 -22.582 1.00 0.00 H new ATOM 462 N TRP A 32 -11.014 30.937 -24.181 1.00 0.00 N ATOM 463 CA TRP A 32 -11.860 31.767 -25.031 1.00 0.00 C ATOM 464 C TRP A 32 -12.837 32.586 -24.195 1.00 0.00 C ATOM 465 O TRP A 32 -13.981 32.800 -24.594 1.00 0.00 O ATOM 466 CB TRP A 32 -12.627 30.896 -26.028 1.00 0.00 C ATOM 467 CG TRP A 32 -12.962 31.609 -27.304 1.00 0.00 C ATOM 468 CD1 TRP A 32 -12.136 32.414 -28.034 1.00 0.00 C ATOM 469 CD2 TRP A 32 -14.214 31.579 -27.998 1.00 0.00 C ATOM 470 NE1 TRP A 32 -12.799 32.888 -29.141 1.00 0.00 N ATOM 471 CE2 TRP A 32 -14.075 32.390 -29.142 1.00 0.00 C ATOM 472 CE3 TRP A 32 -15.438 30.947 -27.766 1.00 0.00 C ATOM 473 CZ2 TRP A 32 -15.114 32.583 -30.048 1.00 0.00 C ATOM 474 CZ3 TRP A 32 -16.469 31.139 -28.666 1.00 0.00 C ATOM 475 CH2 TRP A 32 -16.301 31.952 -29.795 1.00 0.00 C ATOM 0 H TRP A 32 -11.521 30.394 -23.482 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.217 32.455 -25.580 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.033 30.012 -26.259 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -13.549 30.548 -25.562 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -11.112 32.645 -27.779 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.405 33.510 -29.847 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.576 30.319 -26.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -14.988 33.208 -30.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.419 30.655 -28.497 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -17.126 32.083 -30.480 1.00 0.00 H new ATOM 486 N GLY A 33 -12.378 33.041 -23.034 1.00 0.00 N ATOM 487 CA GLY A 33 -13.226 33.831 -22.159 1.00 0.00 C ATOM 488 C GLY A 33 -12.505 34.279 -20.903 1.00 0.00 C ATOM 489 O GLY A 33 -12.693 35.404 -20.439 1.00 0.00 O ATOM 0 H GLY A 33 -11.434 32.877 -22.683 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.585 34.706 -22.700 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.103 33.245 -21.882 1.00 0.00 H new ATOM 493 N SER A 34 -11.678 33.397 -20.350 1.00 0.00 N ATOM 494 CA SER A 34 -10.932 33.706 -19.137 1.00 0.00 C ATOM 495 C SER A 34 -9.684 34.522 -19.460 1.00 0.00 C ATOM 496 O SER A 34 -9.542 35.661 -19.014 1.00 0.00 O ATOM 497 CB SER A 34 -10.538 32.416 -18.412 1.00 0.00 C ATOM 498 OG SER A 34 -9.803 32.698 -17.234 1.00 0.00 O ATOM 0 H SER A 34 -11.508 32.463 -20.723 1.00 0.00 H new ATOM 0 HA SER A 34 -11.575 34.299 -18.486 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.434 31.849 -18.159 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.942 31.790 -19.075 1.00 0.00 H new ATOM 0 HG SER A 34 -8.976 33.169 -17.469 1.00 0.00 H new ATOM 504 N ILE A 35 -8.783 33.932 -20.238 1.00 0.00 N ATOM 505 CA ILE A 35 -7.548 34.604 -20.621 1.00 0.00 C ATOM 506 C ILE A 35 -7.838 35.911 -21.349 1.00 0.00 C ATOM 507 O ILE A 35 -6.952 36.750 -21.520 1.00 0.00 O ATOM 508 CB ILE A 35 -6.677 33.709 -21.523 1.00 0.00 C ATOM 509 CG1 ILE A 35 -6.763 32.251 -21.068 1.00 0.00 C ATOM 510 CG2 ILE A 35 -5.234 34.189 -21.510 1.00 0.00 C ATOM 511 CD1 ILE A 35 -5.572 31.417 -21.484 1.00 0.00 C ATOM 0 H ILE A 35 -8.885 32.990 -20.615 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.005 34.816 -19.700 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.052 33.774 -22.544 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.855 32.223 -19.982 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.670 31.804 -21.476 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.631 33.547 -22.152 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.188 35.214 -21.877 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.847 34.150 -20.492 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.701 30.395 -21.128 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.491 31.415 -22.571 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.664 31.839 -21.054 1.00 0.00 H new ATOM 523 N LYS A 36 -9.084 36.081 -21.777 1.00 0.00 N ATOM 524 CA LYS A 36 -9.493 37.288 -22.485 1.00 0.00 C ATOM 525 C LYS A 36 -10.627 37.993 -21.747 1.00 0.00 C ATOM 526 O LYS A 36 -11.248 38.914 -22.278 1.00 0.00 O ATOM 527 CB LYS A 36 -9.933 36.946 -23.910 1.00 0.00 C ATOM 528 CG LYS A 36 -8.814 37.048 -24.933 1.00 0.00 C ATOM 529 CD LYS A 36 -8.059 35.735 -25.067 1.00 0.00 C ATOM 530 CE LYS A 36 -6.651 35.955 -25.599 1.00 0.00 C ATOM 531 NZ LYS A 36 -5.754 34.811 -25.278 1.00 0.00 N1+ ATOM 0 H LYS A 36 -9.829 35.397 -21.646 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.636 37.961 -22.528 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.335 35.933 -23.924 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.743 37.615 -24.202 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.229 37.330 -25.901 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.123 37.838 -24.640 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.010 35.241 -24.096 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.602 35.068 -25.736 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.688 36.096 -26.679 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.240 36.870 -25.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.804 34.998 -25.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.698 34.692 -24.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.133 33.942 -25.706 1.00 0.00 H new ATOM 545 N GLY A 37 -10.892 37.555 -20.520 1.00 0.00 N ATOM 546 CA GLY A 37 -11.950 38.156 -19.731 1.00 0.00 C ATOM 547 C GLY A 37 -11.654 38.124 -18.245 1.00 0.00 C ATOM 548 O GLY A 37 -11.516 39.170 -17.608 1.00 0.00 O ATOM 0 H GLY A 37 -10.393 36.795 -20.059 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.093 39.189 -20.048 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.886 37.631 -19.923 1.00 0.00 H new ATOM 552 N LEU A 38 -11.558 36.922 -17.688 1.00 0.00 N ATOM 553 CA LEU A 38 -11.278 36.757 -16.266 1.00 0.00 C ATOM 554 C LEU A 38 -9.817 37.072 -15.958 1.00 0.00 C ATOM 555 O LEU A 38 -9.516 37.932 -15.131 1.00 0.00 O ATOM 556 CB LEU A 38 -11.607 35.330 -15.823 1.00 0.00 C ATOM 557 CG LEU A 38 -13.093 34.968 -15.783 1.00 0.00 C ATOM 558 CD1 LEU A 38 -13.273 33.457 -15.815 1.00 0.00 C ATOM 559 CD2 LEU A 38 -13.753 35.559 -14.546 1.00 0.00 C ATOM 0 H LEU A 38 -11.670 36.047 -18.200 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.906 37.457 -15.714 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.102 34.636 -16.495 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -11.188 35.173 -14.829 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.575 35.391 -16.664 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.336 33.216 -15.786 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.836 33.058 -16.730 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.777 33.013 -14.952 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.810 35.291 -14.534 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.269 35.165 -13.652 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.654 36.644 -14.564 1.00 0.00 H new ATOM 571 N THR A 39 -8.911 36.370 -16.633 1.00 0.00 N ATOM 572 CA THR A 39 -7.482 36.575 -16.433 1.00 0.00 C ATOM 573 C THR A 39 -7.000 37.829 -17.155 1.00 0.00 C ATOM 574 O THR A 39 -5.938 38.366 -16.841 1.00 0.00 O ATOM 575 CB THR A 39 -6.666 35.366 -16.929 1.00 0.00 C ATOM 576 OG1 THR A 39 -7.548 34.317 -17.344 1.00 0.00 O ATOM 577 CG2 THR A 39 -5.738 34.855 -15.838 1.00 0.00 C ATOM 0 H THR A 39 -9.142 35.655 -17.323 1.00 0.00 H new ATOM 0 HA THR A 39 -7.327 36.694 -15.361 1.00 0.00 H new ATOM 0 HB THR A 39 -6.061 35.687 -17.777 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.022 33.553 -17.659 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.172 34.001 -16.212 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.049 35.647 -15.546 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.327 34.550 -14.973 1.00 0.00 H new ATOM 585 N GLU A 40 -7.788 38.290 -18.120 1.00 0.00 N ATOM 586 CA GLU A 40 -7.440 39.482 -18.885 1.00 0.00 C ATOM 587 C GLU A 40 -8.080 40.726 -18.275 1.00 0.00 C ATOM 588 O GLU A 40 -7.584 41.839 -18.444 1.00 0.00 O ATOM 589 CB GLU A 40 -7.885 39.329 -20.341 1.00 0.00 C ATOM 590 CG GLU A 40 -8.124 40.653 -21.048 1.00 0.00 C ATOM 591 CD GLU A 40 -9.532 41.177 -20.844 1.00 0.00 C ATOM 592 OE1 GLU A 40 -10.285 40.567 -20.057 1.00 0.00 O ATOM 593 OE2 GLU A 40 -9.880 42.199 -21.472 1.00 0.00 O1- ATOM 0 H GLU A 40 -8.671 37.857 -18.391 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.357 39.599 -18.854 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.127 38.767 -20.887 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.802 38.740 -20.372 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.409 41.390 -20.682 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.937 40.530 -22.115 1.00 0.00 H new ATOM 600 N GLY A 41 -9.186 40.528 -17.564 1.00 0.00 N ATOM 601 CA GLY A 41 -9.876 41.641 -16.940 1.00 0.00 C ATOM 602 C GLY A 41 -9.577 41.752 -15.457 1.00 0.00 C ATOM 603 O GLY A 41 -9.392 42.851 -14.934 1.00 0.00 O ATOM 0 H GLY A 41 -9.616 39.616 -17.409 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.587 42.568 -17.436 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.950 41.525 -17.083 1.00 0.00 H new ATOM 607 N LEU A 42 -9.531 40.611 -14.779 1.00 0.00 N ATOM 608 CA LEU A 42 -9.253 40.583 -13.347 1.00 0.00 C ATOM 609 C LEU A 42 -7.757 40.446 -13.084 1.00 0.00 C ATOM 610 O LEU A 42 -7.259 40.866 -12.040 1.00 0.00 O ATOM 611 CB LEU A 42 -10.007 39.430 -12.684 1.00 0.00 C ATOM 612 CG LEU A 42 -11.379 39.097 -13.272 1.00 0.00 C ATOM 613 CD1 LEU A 42 -11.861 37.744 -12.774 1.00 0.00 C ATOM 614 CD2 LEU A 42 -12.386 40.184 -12.925 1.00 0.00 C ATOM 0 H LEU A 42 -9.683 39.693 -15.197 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.593 41.526 -12.918 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.385 38.537 -12.738 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.135 39.666 -11.628 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.285 39.049 -14.357 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.839 37.525 -13.204 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.152 36.972 -13.074 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.938 37.763 -11.687 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -13.357 39.930 -13.351 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.476 40.265 -11.842 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.048 41.137 -13.333 1.00 0.00 H new ATOM 626 N HIS A 43 -7.046 39.856 -14.040 1.00 0.00 N ATOM 627 CA HIS A 43 -5.605 39.665 -13.913 1.00 0.00 C ATOM 628 C HIS A 43 -4.865 40.340 -15.064 1.00 0.00 C ATOM 629 O HIS A 43 -3.635 40.389 -15.081 1.00 0.00 O ATOM 630 CB HIS A 43 -5.267 38.174 -13.878 1.00 0.00 C ATOM 631 CG HIS A 43 -4.406 37.782 -12.718 1.00 0.00 C ATOM 632 ND1 HIS A 43 -4.740 36.775 -11.839 1.00 0.00 N ATOM 633 CD2 HIS A 43 -3.215 38.269 -12.295 1.00 0.00 C ATOM 634 CE1 HIS A 43 -3.794 36.658 -10.924 1.00 0.00 C ATOM 635 NE2 HIS A 43 -2.856 37.553 -11.179 1.00 0.00 N ATOM 0 H HIS A 43 -7.444 39.502 -14.910 1.00 0.00 H new ATOM 0 HA HIS A 43 -5.283 40.124 -12.978 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.193 37.601 -13.842 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.760 37.903 -14.804 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -2.652 39.071 -12.750 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.788 35.951 -10.107 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -2.004 37.690 -10.635 1.00 0.00 H new ATOM 643 N GLY A 44 -5.622 40.859 -16.026 1.00 0.00 N ATOM 644 CA GLY A 44 -5.020 41.522 -17.167 1.00 0.00 C ATOM 645 C GLY A 44 -5.305 43.011 -17.189 1.00 0.00 C ATOM 646 O GLY A 44 -4.575 43.781 -17.813 1.00 0.00 O ATOM 0 H GLY A 44 -6.642 40.832 -16.035 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.942 41.362 -17.149 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.395 41.070 -18.085 1.00 0.00 H new ATOM 650 N PHE A 45 -6.370 43.418 -16.508 1.00 0.00 N ATOM 651 CA PHE A 45 -6.751 44.824 -16.453 1.00 0.00 C ATOM 652 C PHE A 45 -6.763 45.329 -15.014 1.00 0.00 C ATOM 653 O PHE A 45 -6.619 46.527 -14.762 1.00 0.00 O ATOM 654 CB PHE A 45 -8.130 45.026 -17.086 1.00 0.00 C ATOM 655 CG PHE A 45 -8.785 46.319 -16.696 1.00 0.00 C ATOM 656 CD1 PHE A 45 -9.545 46.405 -15.540 1.00 0.00 C ATOM 657 CD2 PHE A 45 -8.643 47.450 -17.484 1.00 0.00 C ATOM 658 CE1 PHE A 45 -10.150 47.594 -15.179 1.00 0.00 C ATOM 659 CE2 PHE A 45 -9.245 48.641 -17.128 1.00 0.00 C ATOM 660 CZ PHE A 45 -9.999 48.714 -15.973 1.00 0.00 C ATOM 0 H PHE A 45 -6.985 42.794 -15.986 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.012 45.396 -17.015 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.032 44.991 -18.171 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.778 44.198 -16.798 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -9.666 45.533 -14.914 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -8.054 47.400 -18.388 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -10.741 47.647 -14.276 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.126 49.514 -17.752 1.00 0.00 H new ATOM 0 HZ PHE A 45 -10.469 49.645 -15.691 1.00 0.00 H new ATOM 670 N HIS A 46 -6.934 44.408 -14.071 1.00 0.00 N ATOM 671 CA HIS A 46 -6.964 44.760 -12.654 1.00 0.00 C ATOM 672 C HIS A 46 -5.595 44.549 -12.013 1.00 0.00 C ATOM 673 O HIS A 46 -4.962 45.498 -11.551 1.00 0.00 O ATOM 674 CB HIS A 46 -8.017 43.926 -11.923 1.00 0.00 C ATOM 675 CG HIS A 46 -7.769 43.807 -10.450 1.00 0.00 C ATOM 676 ND1 HIS A 46 -7.845 42.611 -9.769 1.00 0.00 N ATOM 677 CD2 HIS A 46 -7.441 44.742 -9.528 1.00 0.00 C ATOM 678 CE1 HIS A 46 -7.577 42.815 -8.492 1.00 0.00 C ATOM 679 NE2 HIS A 46 -7.329 44.101 -8.320 1.00 0.00 N ATOM 0 H HIS A 46 -7.054 43.413 -14.261 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.225 45.815 -12.571 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.998 44.373 -12.083 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -8.046 42.928 -12.360 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -8.073 41.709 -10.186 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.295 45.797 -9.709 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.563 42.060 -7.720 1.00 0.00 H new ATOM 687 N VAL A 47 -5.145 43.298 -11.989 1.00 0.00 N ATOM 688 CA VAL A 47 -3.852 42.963 -11.405 1.00 0.00 C ATOM 689 C VAL A 47 -2.708 43.475 -12.273 1.00 0.00 C ATOM 690 O VAL A 47 -1.906 44.302 -11.839 1.00 0.00 O ATOM 691 CB VAL A 47 -3.699 41.443 -11.217 1.00 0.00 C ATOM 692 CG1 VAL A 47 -2.376 41.118 -10.540 1.00 0.00 C ATOM 693 CG2 VAL A 47 -4.867 40.884 -10.418 1.00 0.00 C ATOM 0 H VAL A 47 -5.657 42.501 -12.367 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.809 43.448 -10.430 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.702 40.972 -12.200 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.286 40.039 -10.416 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.553 41.482 -11.155 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.339 41.600 -9.563 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.742 39.808 -10.295 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.898 41.360 -9.438 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.799 41.083 -10.948 1.00 0.00 H new ATOM 703 N HIS A 48 -2.638 42.977 -13.504 1.00 0.00 N ATOM 704 CA HIS A 48 -1.592 43.385 -14.436 1.00 0.00 C ATOM 705 C HIS A 48 -1.773 44.842 -14.852 1.00 0.00 C ATOM 706 O HIS A 48 -0.822 45.499 -15.273 1.00 0.00 O ATOM 707 CB HIS A 48 -1.599 42.484 -15.670 1.00 0.00 C ATOM 708 CG HIS A 48 -0.880 41.186 -15.470 1.00 0.00 C ATOM 709 ND1 HIS A 48 -0.669 40.277 -16.486 1.00 0.00 N ATOM 710 CD2 HIS A 48 -0.320 40.647 -14.362 1.00 0.00 C ATOM 711 CE1 HIS A 48 -0.012 39.235 -16.011 1.00 0.00 C ATOM 712 NE2 HIS A 48 0.213 39.434 -14.724 1.00 0.00 N ATOM 0 H HIS A 48 -3.293 42.291 -13.879 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.631 43.287 -13.931 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.631 42.278 -15.953 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.141 43.019 -16.502 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.297 41.088 -13.377 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.290 38.367 -16.578 1.00 0.00 H new ATOM 0 HE2 HIS A 48 0.703 38.792 -14.101 1.00 0.00 H new ATOM 720 N GLU A 49 -3.000 45.338 -14.733 1.00 0.00 N ATOM 721 CA GLU A 49 -3.305 46.716 -15.100 1.00 0.00 C ATOM 722 C GLU A 49 -2.869 47.008 -16.532 1.00 0.00 C ATOM 723 O GLU A 49 -2.353 48.085 -16.829 1.00 0.00 O ATOM 724 CB GLU A 49 -2.617 47.687 -14.137 1.00 0.00 C ATOM 725 CG GLU A 49 -3.439 48.929 -13.836 1.00 0.00 C ATOM 726 CD GLU A 49 -2.954 50.148 -14.597 1.00 0.00 C ATOM 727 OE1 GLU A 49 -1.877 50.676 -14.248 1.00 0.00 O ATOM 728 OE2 GLU A 49 -3.651 50.573 -15.542 1.00 0.00 O1- ATOM 0 H GLU A 49 -3.799 44.807 -14.386 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.384 46.852 -15.033 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.402 47.168 -13.203 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.659 47.989 -14.561 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.482 48.739 -14.088 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.402 49.134 -12.766 1.00 0.00 H new ATOM 735 N PHE A 50 -3.081 46.039 -17.417 1.00 0.00 N ATOM 736 CA PHE A 50 -2.708 46.189 -18.819 1.00 0.00 C ATOM 737 C PHE A 50 -1.207 46.429 -18.960 1.00 0.00 C ATOM 738 O PHE A 50 -0.746 46.969 -19.964 1.00 0.00 O ATOM 739 CB PHE A 50 -3.483 47.346 -19.453 1.00 0.00 C ATOM 740 CG PHE A 50 -4.135 46.987 -20.757 1.00 0.00 C ATOM 741 CD1 PHE A 50 -5.294 46.230 -20.783 1.00 0.00 C ATOM 742 CD2 PHE A 50 -3.587 47.406 -21.959 1.00 0.00 C ATOM 743 CE1 PHE A 50 -5.897 45.899 -21.982 1.00 0.00 C ATOM 744 CE2 PHE A 50 -4.184 47.078 -23.161 1.00 0.00 C ATOM 745 CZ PHE A 50 -5.340 46.322 -23.173 1.00 0.00 C ATOM 0 H PHE A 50 -3.509 45.142 -17.188 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.960 45.264 -19.338 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.248 47.686 -18.755 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.804 48.183 -19.614 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.732 45.894 -19.855 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.682 47.996 -21.956 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.802 45.310 -21.987 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.747 47.412 -24.090 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.807 46.062 -24.111 1.00 0.00 H new ATOM 755 N GLY A 51 -0.451 46.022 -17.946 1.00 0.00 N ATOM 756 CA GLY A 51 0.989 46.202 -17.975 1.00 0.00 C ATOM 757 C GLY A 51 1.678 45.559 -16.788 1.00 0.00 C ATOM 758 O GLY A 51 2.052 44.387 -16.839 1.00 0.00 O ATOM 0 H GLY A 51 -0.810 45.571 -17.104 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.387 45.776 -18.896 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.219 47.267 -17.991 1.00 0.00 H new ATOM 762 N ASP A 52 1.849 46.328 -15.717 1.00 0.00 N ATOM 763 CA ASP A 52 2.499 45.825 -14.512 1.00 0.00 C ATOM 764 C ASP A 52 1.986 46.556 -13.274 1.00 0.00 C ATOM 765 O ASP A 52 2.752 47.206 -12.564 1.00 0.00 O ATOM 766 CB ASP A 52 4.016 45.985 -14.622 1.00 0.00 C ATOM 767 CG ASP A 52 4.673 44.806 -15.313 1.00 0.00 C ATOM 768 OD1 ASP A 52 4.678 43.702 -14.729 1.00 0.00 O ATOM 769 OD2 ASP A 52 5.182 44.987 -16.438 1.00 0.00 O1- ATOM 0 H ASP A 52 1.547 47.301 -15.659 1.00 0.00 H new ATOM 0 HA ASP A 52 2.259 44.766 -14.413 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.243 46.898 -15.172 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.440 46.100 -13.624 1.00 0.00 H new ATOM 774 N ASN A 53 0.686 46.444 -13.024 1.00 0.00 N ATOM 775 CA ASN A 53 0.071 47.095 -11.874 1.00 0.00 C ATOM 776 C ASN A 53 0.061 48.610 -12.047 1.00 0.00 C ATOM 777 O ASN A 53 -0.985 49.212 -12.291 1.00 0.00 O ATOM 778 CB ASN A 53 0.817 46.722 -10.591 1.00 0.00 C ATOM 779 CG ASN A 53 1.045 45.228 -10.468 1.00 0.00 C ATOM 780 OD1 ASN A 53 1.766 44.631 -11.268 1.00 0.00 O ATOM 781 ND2 ASN A 53 0.430 44.616 -9.463 1.00 0.00 N ATOM 0 H ASN A 53 0.038 45.909 -13.602 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.960 46.749 -11.801 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.778 47.236 -10.570 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.249 47.072 -9.729 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.546 43.611 -9.330 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.158 45.150 -8.824 1.00 0.00 H new ATOM 788 N THR A 54 1.234 49.223 -11.919 1.00 0.00 N ATOM 789 CA THR A 54 1.362 50.668 -12.060 1.00 0.00 C ATOM 790 C THR A 54 2.802 51.067 -12.363 1.00 0.00 C ATOM 791 O THR A 54 3.208 52.201 -12.111 1.00 0.00 O ATOM 792 CB THR A 54 0.893 51.400 -10.789 1.00 0.00 C ATOM 793 OG1 THR A 54 0.387 50.457 -9.837 1.00 0.00 O ATOM 794 CG2 THR A 54 -0.182 52.424 -11.118 1.00 0.00 C ATOM 0 H THR A 54 2.110 48.740 -11.718 1.00 0.00 H new ATOM 0 HA THR A 54 0.725 50.961 -12.895 1.00 0.00 H new ATOM 0 HB THR A 54 1.749 51.922 -10.362 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.093 50.931 -9.032 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.497 52.928 -10.204 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.217 53.158 -11.818 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.038 51.921 -11.568 1.00 0.00 H new ATOM 802 N ALA A 55 3.570 50.126 -12.903 1.00 0.00 N ATOM 803 CA ALA A 55 4.964 50.380 -13.241 1.00 0.00 C ATOM 804 C ALA A 55 5.703 51.026 -12.074 1.00 0.00 C ATOM 805 O ALA A 55 6.621 51.822 -12.272 1.00 0.00 O ATOM 806 CB ALA A 55 5.055 51.262 -14.478 1.00 0.00 C ATOM 0 H ALA A 55 3.250 49.181 -13.115 1.00 0.00 H new ATOM 0 HA ALA A 55 5.440 49.423 -13.454 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.102 51.444 -14.719 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.571 50.763 -15.317 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.557 52.212 -14.285 1.00 0.00 H new ATOM 812 N GLY A 56 5.297 50.679 -10.857 1.00 0.00 N ATOM 813 CA GLY A 56 5.932 51.234 -9.676 1.00 0.00 C ATOM 814 C GLY A 56 6.370 50.164 -8.695 1.00 0.00 C ATOM 815 O GLY A 56 7.369 50.328 -7.994 1.00 0.00 O ATOM 0 H GLY A 56 4.539 50.023 -10.668 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.798 51.823 -9.976 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.239 51.915 -9.181 1.00 0.00 H new ATOM 819 N CYS A 57 5.622 49.068 -8.644 1.00 0.00 N ATOM 820 CA CYS A 57 5.938 47.968 -7.740 1.00 0.00 C ATOM 821 C CYS A 57 5.905 46.633 -8.477 1.00 0.00 C ATOM 822 O CYS A 57 5.703 45.580 -7.869 1.00 0.00 O ATOM 823 CB CYS A 57 4.953 47.943 -6.570 1.00 0.00 C ATOM 824 SG CYS A 57 4.758 49.536 -5.737 1.00 0.00 S ATOM 0 H CYS A 57 4.792 48.917 -9.218 1.00 0.00 H new ATOM 0 HA CYS A 57 6.945 48.125 -7.354 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.980 47.614 -6.935 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.287 47.203 -5.843 1.00 0.00 H new ATOM 0 HG CYS A 57 3.905 49.415 -4.764 1.00 0.00 H new ATOM 830 N THR A 58 6.104 46.682 -9.791 1.00 0.00 N ATOM 831 CA THR A 58 6.095 45.477 -10.610 1.00 0.00 C ATOM 832 C THR A 58 6.678 45.748 -11.992 1.00 0.00 C ATOM 833 O THR A 58 6.366 45.050 -12.957 1.00 0.00 O ATOM 834 CB THR A 58 4.668 44.917 -10.769 1.00 0.00 C ATOM 835 OG1 THR A 58 3.754 45.670 -9.965 1.00 0.00 O ATOM 836 CG2 THR A 58 4.616 43.450 -10.367 1.00 0.00 C ATOM 0 H THR A 58 6.273 47.544 -10.310 1.00 0.00 H new ATOM 0 HA THR A 58 6.712 44.740 -10.096 1.00 0.00 H new ATOM 0 HB THR A 58 4.382 45.001 -11.818 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.445 45.118 -9.217 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.599 43.076 -10.487 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.292 42.875 -11.000 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.920 43.347 -9.325 1.00 0.00 H new ATOM 844 N SER A 59 7.528 46.767 -12.082 1.00 0.00 N ATOM 845 CA SER A 59 8.153 47.132 -13.347 1.00 0.00 C ATOM 846 C SER A 59 9.226 48.196 -13.136 1.00 0.00 C ATOM 847 O SER A 59 10.263 48.188 -13.800 1.00 0.00 O ATOM 848 CB SER A 59 7.099 47.643 -14.332 1.00 0.00 C ATOM 849 OG SER A 59 7.185 46.961 -15.571 1.00 0.00 O ATOM 0 H SER A 59 7.799 47.354 -11.293 1.00 0.00 H new ATOM 0 HA SER A 59 8.626 46.241 -13.761 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.104 47.508 -13.907 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.235 48.713 -14.492 1.00 0.00 H new ATOM 0 HG SER A 59 6.500 47.305 -16.182 1.00 0.00 H new ATOM 855 N ALA A 60 8.970 49.109 -12.206 1.00 0.00 N ATOM 856 CA ALA A 60 9.915 50.178 -11.905 1.00 0.00 C ATOM 857 C ALA A 60 10.055 50.379 -10.400 1.00 0.00 C ATOM 858 O ALA A 60 10.243 51.498 -9.927 1.00 0.00 O ATOM 859 CB ALA A 60 9.476 51.474 -12.573 1.00 0.00 C ATOM 0 H ALA A 60 8.117 49.130 -11.648 1.00 0.00 H new ATOM 0 HA ALA A 60 10.889 49.890 -12.299 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.190 52.264 -12.340 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.433 51.330 -13.653 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.490 51.757 -12.205 1.00 0.00 H new ATOM 865 N GLY A 61 9.964 49.283 -9.651 1.00 0.00 N ATOM 866 CA GLY A 61 10.083 49.360 -8.206 1.00 0.00 C ATOM 867 C GLY A 61 11.520 49.257 -7.737 1.00 0.00 C ATOM 868 O GLY A 61 12.462 49.379 -8.521 1.00 0.00 O ATOM 0 H GLY A 61 9.810 48.344 -10.019 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.657 50.302 -7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.498 48.560 -7.753 1.00 0.00 H new ATOM 872 N PRO A 62 11.705 49.029 -6.428 1.00 0.00 N ATOM 873 CA PRO A 62 13.036 48.906 -5.826 1.00 0.00 C ATOM 874 C PRO A 62 13.748 47.625 -6.249 1.00 0.00 C ATOM 875 O PRO A 62 13.786 46.648 -5.502 1.00 0.00 O ATOM 876 CB PRO A 62 12.744 48.883 -4.324 1.00 0.00 C ATOM 877 CG PRO A 62 11.349 48.370 -4.215 1.00 0.00 C ATOM 878 CD PRO A 62 10.628 48.872 -5.436 1.00 0.00 C ATOM 0 HA PRO A 62 13.699 49.715 -6.134 1.00 0.00 H new ATOM 0 HB2 PRO A 62 13.445 48.238 -3.795 1.00 0.00 H new ATOM 0 HB3 PRO A 62 12.835 49.878 -3.888 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.336 47.281 -4.174 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.871 48.729 -3.304 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.870 48.165 -5.774 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.119 49.816 -5.242 1.00 0.00 H new ATOM 886 N HIS A 63 14.311 47.638 -7.453 1.00 0.00 N ATOM 887 CA HIS A 63 15.024 46.477 -7.976 1.00 0.00 C ATOM 888 C HIS A 63 15.595 46.769 -9.360 1.00 0.00 C ATOM 889 O HIS A 63 14.883 47.227 -10.253 1.00 0.00 O ATOM 890 CB HIS A 63 14.091 45.267 -8.041 1.00 0.00 C ATOM 891 CG HIS A 63 12.758 45.570 -8.651 1.00 0.00 C ATOM 892 ND1 HIS A 63 11.639 45.871 -7.903 1.00 0.00 N ATOM 893 CD2 HIS A 63 12.367 45.621 -9.946 1.00 0.00 C ATOM 894 CE1 HIS A 63 10.618 46.091 -8.712 1.00 0.00 C ATOM 895 NE2 HIS A 63 11.033 45.945 -9.957 1.00 0.00 N ATOM 0 H HIS A 63 14.288 48.439 -8.085 1.00 0.00 H new ATOM 0 HA HIS A 63 15.850 46.254 -7.301 1.00 0.00 H new ATOM 0 HB2 HIS A 63 14.574 44.477 -8.617 1.00 0.00 H new ATOM 0 HB3 HIS A 63 13.940 44.880 -7.033 1.00 0.00 H new ATOM 0 HD2 HIS A 63 12.989 45.440 -10.810 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.614 46.347 -8.407 1.00 0.00 H new ATOM 0 HE2 HIS A 63 10.456 46.055 -10.791 1.00 0.00 H new ATOM 903 N PHE A 64 16.885 46.500 -9.530 1.00 0.00 N ATOM 904 CA PHE A 64 17.554 46.735 -10.806 1.00 0.00 C ATOM 905 C PHE A 64 17.595 45.458 -11.641 1.00 0.00 C ATOM 906 O PHE A 64 18.334 45.370 -12.621 1.00 0.00 O ATOM 907 CB PHE A 64 18.974 47.252 -10.573 1.00 0.00 C ATOM 908 CG PHE A 64 19.033 48.718 -10.246 1.00 0.00 C ATOM 909 CD1 PHE A 64 18.540 49.658 -11.136 1.00 0.00 C ATOM 910 CD2 PHE A 64 19.581 49.153 -9.051 1.00 0.00 C ATOM 911 CE1 PHE A 64 18.592 51.007 -10.839 1.00 0.00 C ATOM 912 CE2 PHE A 64 19.635 50.501 -8.749 1.00 0.00 C ATOM 913 CZ PHE A 64 19.142 51.429 -9.644 1.00 0.00 C ATOM 0 H PHE A 64 17.489 46.119 -8.801 1.00 0.00 H new ATOM 0 HA PHE A 64 16.986 47.488 -11.353 1.00 0.00 H new ATOM 0 HB2 PHE A 64 19.428 46.688 -9.759 1.00 0.00 H new ATOM 0 HB3 PHE A 64 19.572 47.062 -11.464 1.00 0.00 H new ATOM 0 HD1 PHE A 64 18.110 49.333 -12.072 1.00 0.00 H new ATOM 0 HD2 PHE A 64 19.970 48.432 -8.348 1.00 0.00 H new ATOM 0 HE1 PHE A 64 18.203 51.730 -11.540 1.00 0.00 H new ATOM 0 HE2 PHE A 64 20.063 50.828 -7.813 1.00 0.00 H new ATOM 0 HZ PHE A 64 19.186 52.483 -9.411 1.00 0.00 H new ATOM 923 N ASN A 65 16.797 44.472 -11.244 1.00 0.00 N ATOM 924 CA ASN A 65 16.743 43.200 -11.956 1.00 0.00 C ATOM 925 C ASN A 65 15.494 42.413 -11.570 1.00 0.00 C ATOM 926 O ASN A 65 15.534 41.507 -10.738 1.00 0.00 O ATOM 927 CB ASN A 65 17.994 42.372 -11.657 1.00 0.00 C ATOM 928 CG ASN A 65 18.237 42.207 -10.169 1.00 0.00 C ATOM 929 OD1 ASN A 65 18.476 43.182 -9.457 1.00 0.00 O ATOM 930 ND2 ASN A 65 18.176 40.969 -9.693 1.00 0.00 N ATOM 0 H ASN A 65 16.180 44.529 -10.434 1.00 0.00 H new ATOM 0 HA ASN A 65 16.702 43.411 -13.025 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.894 41.389 -12.117 1.00 0.00 H new ATOM 0 HB3 ASN A 65 18.861 42.851 -12.113 1.00 0.00 H new ATOM 0 HD21 ASN A 65 18.330 40.796 -8.700 1.00 0.00 H new ATOM 0 HD22 ASN A 65 17.975 40.191 -10.321 1.00 0.00 H new ATOM 937 N PRO A 66 14.357 42.768 -12.187 1.00 0.00 N ATOM 938 CA PRO A 66 13.075 42.107 -11.925 1.00 0.00 C ATOM 939 C PRO A 66 13.038 40.680 -12.462 1.00 0.00 C ATOM 940 O PRO A 66 12.713 39.740 -11.735 1.00 0.00 O ATOM 941 CB PRO A 66 12.065 42.985 -12.668 1.00 0.00 C ATOM 942 CG PRO A 66 12.855 43.638 -13.749 1.00 0.00 C ATOM 943 CD PRO A 66 14.236 43.840 -13.189 1.00 0.00 C ATOM 0 HA PRO A 66 12.875 42.014 -10.858 1.00 0.00 H new ATOM 0 HB2 PRO A 66 11.249 42.390 -13.078 1.00 0.00 H new ATOM 0 HB3 PRO A 66 11.618 43.724 -12.003 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.884 43.014 -14.642 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.408 44.589 -14.038 1.00 0.00 H new ATOM 0 HD2 PRO A 66 15.000 43.756 -13.962 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.347 44.826 -12.738 1.00 0.00 H new ATOM 951 N LEU A 67 13.373 40.524 -13.738 1.00 0.00 N ATOM 952 CA LEU A 67 13.378 39.211 -14.373 1.00 0.00 C ATOM 953 C LEU A 67 14.394 39.159 -15.509 1.00 0.00 C ATOM 954 O LEU A 67 14.125 38.600 -16.572 1.00 0.00 O ATOM 955 CB LEU A 67 11.983 38.874 -14.904 1.00 0.00 C ATOM 956 CG LEU A 67 11.775 37.434 -15.375 1.00 0.00 C ATOM 957 CD1 LEU A 67 11.355 36.548 -14.213 1.00 0.00 C ATOM 958 CD2 LEU A 67 10.739 37.382 -16.489 1.00 0.00 C ATOM 0 H LEU A 67 13.645 41.291 -14.353 1.00 0.00 H new ATOM 0 HA LEU A 67 13.662 38.473 -13.623 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.256 39.088 -14.120 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.761 39.543 -15.735 1.00 0.00 H new ATOM 0 HG LEU A 67 12.721 37.060 -15.767 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.212 35.527 -14.567 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.130 36.561 -13.447 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.422 36.920 -13.791 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.604 36.350 -16.812 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.791 37.775 -16.123 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.080 37.984 -17.331 1.00 0.00 H new ATOM 970 N SER A 68 15.564 39.745 -15.276 1.00 0.00 N ATOM 971 CA SER A 68 16.620 39.767 -16.281 1.00 0.00 C ATOM 972 C SER A 68 16.056 40.115 -17.656 1.00 0.00 C ATOM 973 O SER A 68 16.415 39.500 -18.660 1.00 0.00 O ATOM 974 CB SER A 68 17.329 38.413 -16.336 1.00 0.00 C ATOM 975 OG SER A 68 18.551 38.505 -17.048 1.00 0.00 O ATOM 0 H SER A 68 15.804 40.210 -14.401 1.00 0.00 H new ATOM 0 HA SER A 68 17.340 40.535 -15.998 1.00 0.00 H new ATOM 0 HB2 SER A 68 17.520 38.058 -15.323 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.681 37.679 -16.814 1.00 0.00 H new ATOM 0 HG SER A 68 18.381 38.859 -17.946 1.00 0.00 H new ATOM 981 N ARG A 69 15.172 41.105 -17.691 1.00 0.00 N ATOM 982 CA ARG A 69 14.556 41.536 -18.941 1.00 0.00 C ATOM 983 C ARG A 69 13.582 42.685 -18.700 1.00 0.00 C ATOM 984 O ARG A 69 13.395 43.546 -19.560 1.00 0.00 O ATOM 985 CB ARG A 69 13.827 40.365 -19.604 1.00 0.00 C ATOM 986 CG ARG A 69 12.774 39.722 -18.716 1.00 0.00 C ATOM 987 CD ARG A 69 11.396 39.779 -19.355 1.00 0.00 C ATOM 988 NE ARG A 69 11.371 39.127 -20.662 1.00 0.00 N ATOM 989 CZ ARG A 69 11.472 37.813 -20.830 1.00 0.00 C ATOM 990 NH1 ARG A 69 11.604 37.016 -19.778 1.00 0.00 N1+ ATOM 991 NH2 ARG A 69 11.442 37.295 -22.051 1.00 0.00 N ATOM 0 H ARG A 69 14.865 41.625 -16.869 1.00 0.00 H new ATOM 0 HA ARG A 69 15.346 41.887 -19.605 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.352 40.715 -20.521 1.00 0.00 H new ATOM 0 HB3 ARG A 69 14.558 39.609 -19.892 1.00 0.00 H new ATOM 0 HG2 ARG A 69 13.044 38.684 -18.523 1.00 0.00 H new ATOM 0 HG3 ARG A 69 12.750 40.230 -17.752 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.671 39.300 -18.697 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.089 40.819 -19.463 1.00 0.00 H new ATOM 0 HE ARG A 69 11.270 39.713 -21.491 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.628 37.412 -18.838 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.681 36.007 -19.909 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.341 37.906 -22.862 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.520 36.286 -22.179 1.00 0.00 H new ATOM 1005 N LYS A 70 12.962 42.692 -17.524 1.00 0.00 N ATOM 1006 CA LYS A 70 12.007 43.735 -17.169 1.00 0.00 C ATOM 1007 C LYS A 70 10.693 43.550 -17.921 1.00 0.00 C ATOM 1008 O LYS A 70 10.196 44.476 -18.561 1.00 0.00 O ATOM 1009 CB LYS A 70 12.591 45.115 -17.474 1.00 0.00 C ATOM 1010 CG LYS A 70 12.686 46.020 -16.257 1.00 0.00 C ATOM 1011 CD LYS A 70 14.039 45.900 -15.578 1.00 0.00 C ATOM 1012 CE LYS A 70 15.117 46.648 -16.348 1.00 0.00 C ATOM 1013 NZ LYS A 70 15.901 47.556 -15.465 1.00 0.00 N1+ ATOM 0 H LYS A 70 13.104 41.987 -16.801 1.00 0.00 H new ATOM 0 HA LYS A 70 11.807 43.660 -16.100 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.585 44.992 -17.903 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.975 45.601 -18.230 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.519 47.054 -16.558 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.898 45.763 -15.549 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.975 46.294 -14.564 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.313 44.848 -15.494 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.789 45.932 -16.821 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.656 47.228 -17.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.625 48.047 -16.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.264 48.256 -15.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.362 47.000 -14.717 1.00 0.00 H new ATOM 1027 N HIS A 71 10.133 42.346 -17.837 1.00 0.00 N ATOM 1028 CA HIS A 71 8.876 42.040 -18.508 1.00 0.00 C ATOM 1029 C HIS A 71 8.972 42.333 -20.002 1.00 0.00 C ATOM 1030 O HIS A 71 8.888 43.485 -20.426 1.00 0.00 O ATOM 1031 CB HIS A 71 7.733 42.848 -17.891 1.00 0.00 C ATOM 1032 CG HIS A 71 6.453 42.081 -17.770 1.00 0.00 C ATOM 1033 ND1 HIS A 71 5.432 42.170 -18.692 1.00 0.00 N ATOM 1034 CD2 HIS A 71 6.032 41.204 -16.829 1.00 0.00 C ATOM 1035 CE1 HIS A 71 4.438 41.384 -18.323 1.00 0.00 C ATOM 1036 NE2 HIS A 71 4.776 40.787 -17.195 1.00 0.00 N ATOM 0 H HIS A 71 10.531 41.568 -17.311 1.00 0.00 H new ATOM 0 HA HIS A 71 8.672 40.977 -18.376 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.035 43.192 -16.902 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.558 43.736 -18.498 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.581 40.891 -15.954 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.507 41.252 -18.854 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.198 40.124 -16.679 1.00 0.00 H new ATOM 1044 N GLY A 72 9.147 41.281 -20.797 1.00 0.00 N ATOM 1045 CA GLY A 72 9.254 41.446 -22.235 1.00 0.00 C ATOM 1046 C GLY A 72 10.683 41.663 -22.691 1.00 0.00 C ATOM 1047 O GLY A 72 11.106 41.119 -23.709 1.00 0.00 O ATOM 0 H GLY A 72 9.217 40.317 -20.470 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.849 40.563 -22.730 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.644 42.294 -22.546 1.00 0.00 H new ATOM 1051 N GLY A 73 11.429 42.463 -21.934 1.00 0.00 N ATOM 1052 CA GLY A 73 12.810 42.737 -22.282 1.00 0.00 C ATOM 1053 C GLY A 73 13.057 44.206 -22.562 1.00 0.00 C ATOM 1054 O GLY A 73 13.550 44.948 -21.713 1.00 0.00 O ATOM 0 H GLY A 73 11.101 42.926 -21.086 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.458 42.412 -21.468 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.083 42.152 -23.160 1.00 0.00 H new ATOM 1058 N PRO A 74 12.709 44.646 -23.781 1.00 0.00 N ATOM 1059 CA PRO A 74 12.888 46.039 -24.200 1.00 0.00 C ATOM 1060 C PRO A 74 11.936 46.988 -23.478 1.00 0.00 C ATOM 1061 O PRO A 74 11.250 46.596 -22.535 1.00 0.00 O ATOM 1062 CB PRO A 74 12.573 46.003 -25.697 1.00 0.00 C ATOM 1063 CG PRO A 74 11.675 44.828 -25.867 1.00 0.00 C ATOM 1064 CD PRO A 74 12.116 43.817 -24.844 1.00 0.00 C ATOM 0 HA PRO A 74 13.887 46.409 -23.970 1.00 0.00 H new ATOM 0 HB2 PRO A 74 12.087 46.923 -26.021 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.481 45.896 -26.290 1.00 0.00 H new ATOM 0 HG2 PRO A 74 10.633 45.108 -25.714 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.751 44.421 -26.875 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.277 43.228 -24.474 1.00 0.00 H new ATOM 0 HD3 PRO A 74 12.840 43.116 -25.258 1.00 0.00 H new ATOM 1072 N LYS A 75 11.900 48.238 -23.929 1.00 0.00 N ATOM 1073 CA LYS A 75 11.031 49.242 -23.328 1.00 0.00 C ATOM 1074 C LYS A 75 11.452 49.539 -21.892 1.00 0.00 C ATOM 1075 O LYS A 75 12.028 48.685 -21.216 1.00 0.00 O ATOM 1076 CB LYS A 75 9.575 48.771 -23.357 1.00 0.00 C ATOM 1077 CG LYS A 75 8.597 49.842 -23.808 1.00 0.00 C ATOM 1078 CD LYS A 75 8.528 49.929 -25.324 1.00 0.00 C ATOM 1079 CE LYS A 75 7.481 48.981 -25.890 1.00 0.00 C ATOM 1080 NZ LYS A 75 6.434 49.708 -26.660 1.00 0.00 N1+ ATOM 0 H LYS A 75 12.463 48.579 -24.708 1.00 0.00 H new ATOM 0 HA LYS A 75 11.121 50.159 -23.911 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.493 47.912 -24.024 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.293 48.429 -22.361 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.606 49.623 -23.409 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.899 50.807 -23.400 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.293 50.951 -25.620 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.503 49.690 -25.748 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.965 48.249 -26.537 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.014 48.427 -25.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.739 49.028 -27.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.954 50.389 -26.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.876 50.216 -27.453 1.00 0.00 H new ATOM 1094 N ASP A 76 11.162 50.750 -21.433 1.00 0.00 N ATOM 1095 CA ASP A 76 11.508 51.157 -20.076 1.00 0.00 C ATOM 1096 C ASP A 76 12.995 50.943 -19.808 1.00 0.00 C ATOM 1097 O ASP A 76 13.396 50.655 -18.681 1.00 0.00 O ATOM 1098 CB ASP A 76 10.676 50.376 -19.058 1.00 0.00 C ATOM 1099 CG ASP A 76 9.216 50.783 -19.070 1.00 0.00 C ATOM 1100 OD1 ASP A 76 8.490 50.358 -19.994 1.00 0.00 O ATOM 1101 OD2 ASP A 76 8.798 51.525 -18.157 1.00 0.00 O1- ATOM 0 H ASP A 76 10.688 51.468 -21.980 1.00 0.00 H new ATOM 0 HA ASP A 76 11.287 52.220 -19.974 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.755 49.310 -19.270 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.086 50.534 -18.060 1.00 0.00 H new ATOM 1106 N GLU A 77 13.806 51.085 -20.851 1.00 0.00 N ATOM 1107 CA GLU A 77 15.248 50.905 -20.728 1.00 0.00 C ATOM 1108 C GLU A 77 15.961 51.332 -22.008 1.00 0.00 C ATOM 1109 O GLU A 77 17.016 51.963 -21.961 1.00 0.00 O ATOM 1110 CB GLU A 77 15.577 49.446 -20.409 1.00 0.00 C ATOM 1111 CG GLU A 77 15.262 48.489 -21.547 1.00 0.00 C ATOM 1112 CD GLU A 77 15.466 47.036 -21.162 1.00 0.00 C ATOM 1113 OE1 GLU A 77 14.846 46.592 -20.174 1.00 0.00 O ATOM 1114 OE2 GLU A 77 16.246 46.345 -21.850 1.00 0.00 O1- ATOM 0 H GLU A 77 13.489 51.324 -21.791 1.00 0.00 H new ATOM 0 HA GLU A 77 15.599 51.535 -19.911 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.635 49.367 -20.161 1.00 0.00 H new ATOM 0 HB3 GLU A 77 15.019 49.141 -19.524 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.229 48.635 -21.864 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.895 48.727 -22.402 1.00 0.00 H new ATOM 1121 N GLU A 78 15.376 50.980 -23.149 1.00 0.00 N ATOM 1122 CA GLU A 78 15.957 51.325 -24.441 1.00 0.00 C ATOM 1123 C GLU A 78 15.211 52.494 -25.079 1.00 0.00 C ATOM 1124 O GLU A 78 15.802 53.528 -25.386 1.00 0.00 O ATOM 1125 CB GLU A 78 15.928 50.115 -25.377 1.00 0.00 C ATOM 1126 CG GLU A 78 17.190 49.271 -25.322 1.00 0.00 C ATOM 1127 CD GLU A 78 18.130 49.551 -26.478 1.00 0.00 C ATOM 1128 OE1 GLU A 78 17.662 49.553 -27.635 1.00 0.00 O ATOM 1129 OE2 GLU A 78 19.334 49.768 -26.225 1.00 0.00 O1- ATOM 0 H GLU A 78 14.502 50.457 -23.205 1.00 0.00 H new ATOM 0 HA GLU A 78 16.992 51.624 -24.277 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.072 49.490 -25.122 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.777 50.461 -26.400 1.00 0.00 H new ATOM 0 HG2 GLU A 78 17.709 49.461 -24.382 1.00 0.00 H new ATOM 0 HG3 GLU A 78 16.917 48.216 -25.328 1.00 0.00 H new ATOM 1136 N ARG A 79 13.908 52.320 -25.275 1.00 0.00 N ATOM 1137 CA ARG A 79 13.080 53.357 -25.877 1.00 0.00 C ATOM 1138 C ARG A 79 12.593 54.345 -24.821 1.00 0.00 C ATOM 1139 O ARG A 79 11.805 55.245 -25.114 1.00 0.00 O ATOM 1140 CB ARG A 79 11.885 52.733 -26.597 1.00 0.00 C ATOM 1141 CG ARG A 79 11.379 53.559 -27.770 1.00 0.00 C ATOM 1142 CD ARG A 79 11.485 52.792 -29.078 1.00 0.00 C ATOM 1143 NE ARG A 79 11.721 53.678 -30.214 1.00 0.00 N ATOM 1144 CZ ARG A 79 12.223 53.269 -31.373 1.00 0.00 C ATOM 1145 NH1 ARG A 79 12.539 51.993 -31.549 1.00 0.00 N1+ ATOM 1146 NH2 ARG A 79 12.410 54.136 -32.361 1.00 0.00 N ATOM 0 H ARG A 79 13.403 51.470 -25.025 1.00 0.00 H new ATOM 0 HA ARG A 79 13.689 53.897 -26.602 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.165 51.742 -26.955 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.073 52.596 -25.883 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.341 53.842 -27.596 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.954 54.482 -27.841 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.296 52.067 -29.009 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.567 52.228 -29.243 1.00 0.00 H new ATOM 0 HE ARG A 79 11.487 54.666 -30.112 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.396 51.323 -30.793 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.925 51.681 -32.440 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.168 55.118 -32.230 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.796 53.820 -33.251 1.00 0.00 H new ATOM 1160 N HIS A 80 13.067 54.171 -23.591 1.00 0.00 N ATOM 1161 CA HIS A 80 12.679 55.046 -22.491 1.00 0.00 C ATOM 1162 C HIS A 80 13.743 56.111 -22.243 1.00 0.00 C ATOM 1163 O HIS A 80 13.457 57.171 -21.688 1.00 0.00 O ATOM 1164 CB HIS A 80 12.451 54.230 -21.218 1.00 0.00 C ATOM 1165 CG HIS A 80 11.397 54.803 -20.321 1.00 0.00 C ATOM 1166 ND1 HIS A 80 11.423 54.668 -18.949 1.00 0.00 N ATOM 1167 CD2 HIS A 80 10.284 55.517 -20.606 1.00 0.00 C ATOM 1168 CE1 HIS A 80 10.370 55.273 -18.429 1.00 0.00 C ATOM 1169 NE2 HIS A 80 9.662 55.797 -19.413 1.00 0.00 N ATOM 0 H HIS A 80 13.720 53.432 -23.332 1.00 0.00 H new ATOM 0 HA HIS A 80 11.749 55.544 -22.766 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.169 53.214 -21.493 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.389 54.163 -20.666 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.947 55.812 -21.589 1.00 0.00 H new ATOM 0 HE1 HIS A 80 10.129 55.329 -17.378 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.795 56.324 -19.305 1.00 0.00 H new ATOM 1177 N VAL A 81 14.972 55.821 -22.659 1.00 0.00 N ATOM 1178 CA VAL A 81 16.079 56.753 -22.482 1.00 0.00 C ATOM 1179 C VAL A 81 17.288 56.334 -23.312 1.00 0.00 C ATOM 1180 O VAL A 81 18.430 56.471 -22.876 1.00 0.00 O ATOM 1181 CB VAL A 81 16.496 56.856 -21.003 1.00 0.00 C ATOM 1182 CG1 VAL A 81 15.761 57.999 -20.319 1.00 0.00 C ATOM 1183 CG2 VAL A 81 16.238 55.539 -20.284 1.00 0.00 C ATOM 0 H VAL A 81 15.226 54.948 -23.121 1.00 0.00 H new ATOM 0 HA VAL A 81 15.729 57.728 -22.821 1.00 0.00 H new ATOM 0 HB VAL A 81 17.565 57.065 -20.958 1.00 0.00 H new ATOM 0 HG11 VAL A 81 16.069 58.056 -19.275 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.001 58.937 -20.820 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.686 57.824 -20.372 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.538 55.629 -19.240 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.176 55.298 -20.337 1.00 0.00 H new ATOM 0 HG23 VAL A 81 16.814 54.746 -20.760 1.00 0.00 H new ATOM 1193 N GLY A 82 17.027 55.823 -24.511 1.00 0.00 N ATOM 1194 CA GLY A 82 18.104 55.392 -25.383 1.00 0.00 C ATOM 1195 C GLY A 82 19.117 56.490 -25.640 1.00 0.00 C ATOM 1196 O GLY A 82 20.252 56.218 -26.032 1.00 0.00 O ATOM 0 H GLY A 82 16.090 55.700 -24.894 1.00 0.00 H new ATOM 0 HA2 GLY A 82 18.608 54.535 -24.937 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.687 55.058 -26.333 1.00 0.00 H new ATOM 1200 N ASP A 83 18.705 57.735 -25.422 1.00 0.00 N ATOM 1201 CA ASP A 83 19.585 58.879 -25.633 1.00 0.00 C ATOM 1202 C ASP A 83 19.934 59.031 -27.111 1.00 0.00 C ATOM 1203 O ASP A 83 21.064 59.371 -27.461 1.00 0.00 O ATOM 1204 CB ASP A 83 20.864 58.725 -24.809 1.00 0.00 C ATOM 1205 CG ASP A 83 20.599 58.147 -23.433 1.00 0.00 C ATOM 1206 OD1 ASP A 83 19.868 58.789 -22.649 1.00 0.00 O ATOM 1207 OD2 ASP A 83 21.122 57.051 -23.140 1.00 0.00 O1- ATOM 0 H ASP A 83 17.768 57.977 -25.100 1.00 0.00 H new ATOM 0 HA ASP A 83 19.058 59.776 -25.308 1.00 0.00 H new ATOM 0 HB2 ASP A 83 21.561 58.080 -25.343 1.00 0.00 H new ATOM 0 HB3 ASP A 83 21.345 59.697 -24.705 1.00 0.00 H new ATOM 1212 N LEU A 84 18.956 58.774 -27.973 1.00 0.00 N ATOM 1213 CA LEU A 84 19.159 58.882 -29.414 1.00 0.00 C ATOM 1214 C LEU A 84 17.832 58.776 -30.160 1.00 0.00 C ATOM 1215 O LEU A 84 17.786 58.326 -31.304 1.00 0.00 O ATOM 1216 CB LEU A 84 20.117 57.791 -29.896 1.00 0.00 C ATOM 1217 CG LEU A 84 19.501 56.411 -30.127 1.00 0.00 C ATOM 1218 CD1 LEU A 84 20.587 55.381 -30.396 1.00 0.00 C ATOM 1219 CD2 LEU A 84 18.656 55.998 -28.932 1.00 0.00 C ATOM 0 H LEU A 84 18.015 58.490 -27.700 1.00 0.00 H new ATOM 0 HA LEU A 84 19.595 59.859 -29.623 1.00 0.00 H new ATOM 0 HB2 LEU A 84 20.575 58.123 -30.828 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.919 57.691 -29.165 1.00 0.00 H new ATOM 0 HG LEU A 84 18.854 56.464 -31.003 1.00 0.00 H new ATOM 0 HD11 LEU A 84 20.130 54.405 -30.558 1.00 0.00 H new ATOM 0 HD12 LEU A 84 21.151 55.670 -31.283 1.00 0.00 H new ATOM 0 HD13 LEU A 84 21.260 55.329 -29.540 1.00 0.00 H new ATOM 0 HD21 LEU A 84 18.225 55.013 -29.114 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.281 55.962 -28.040 1.00 0.00 H new ATOM 0 HD23 LEU A 84 17.855 56.723 -28.785 1.00 0.00 H new ATOM 1231 N GLY A 85 16.755 59.196 -29.504 1.00 0.00 N ATOM 1232 CA GLY A 85 15.442 59.141 -30.122 1.00 0.00 C ATOM 1233 C GLY A 85 14.321 59.325 -29.118 1.00 0.00 C ATOM 1234 O GLY A 85 13.168 59.526 -29.495 1.00 0.00 O ATOM 0 H GLY A 85 16.767 59.573 -28.556 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.371 59.914 -30.887 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.321 58.182 -30.626 1.00 0.00 H new ATOM 1238 N ASN A 86 14.661 59.256 -27.835 1.00 0.00 N ATOM 1239 CA ASN A 86 13.673 59.414 -26.773 1.00 0.00 C ATOM 1240 C ASN A 86 13.882 60.728 -26.026 1.00 0.00 C ATOM 1241 O ASN A 86 12.948 61.281 -25.446 1.00 0.00 O ATOM 1242 CB ASN A 86 13.753 58.241 -25.794 1.00 0.00 C ATOM 1243 CG ASN A 86 12.423 57.955 -25.125 1.00 0.00 C ATOM 1244 OD1 ASN A 86 12.340 57.856 -23.901 1.00 0.00 O ATOM 1245 ND2 ASN A 86 11.374 57.819 -25.928 1.00 0.00 N ATOM 0 H ASN A 86 15.612 59.092 -27.505 1.00 0.00 H new ATOM 0 HA ASN A 86 12.684 59.430 -27.231 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.088 57.350 -26.325 1.00 0.00 H new ATOM 0 HB3 ASN A 86 14.501 58.458 -25.031 1.00 0.00 H new ATOM 0 HD21 ASN A 86 10.453 57.624 -25.535 1.00 0.00 H new ATOM 0 HD22 ASN A 86 11.489 57.909 -26.937 1.00 0.00 H new ATOM 1252 N VAL A 87 15.116 61.225 -26.047 1.00 0.00 N ATOM 1253 CA VAL A 87 15.447 62.474 -25.375 1.00 0.00 C ATOM 1254 C VAL A 87 15.957 63.514 -26.366 1.00 0.00 C ATOM 1255 O VAL A 87 16.518 64.539 -25.977 1.00 0.00 O ATOM 1256 CB VAL A 87 16.512 62.259 -24.283 1.00 0.00 C ATOM 1257 CG1 VAL A 87 17.882 62.037 -24.908 1.00 0.00 C ATOM 1258 CG2 VAL A 87 16.540 63.440 -23.325 1.00 0.00 C ATOM 0 H VAL A 87 15.901 60.781 -26.522 1.00 0.00 H new ATOM 0 HA VAL A 87 14.529 62.836 -24.912 1.00 0.00 H new ATOM 0 HB VAL A 87 16.249 61.366 -23.716 1.00 0.00 H new ATOM 0 HG11 VAL A 87 18.621 61.887 -24.121 1.00 0.00 H new ATOM 0 HG12 VAL A 87 17.851 61.156 -25.549 1.00 0.00 H new ATOM 0 HG13 VAL A 87 18.156 62.909 -25.502 1.00 0.00 H new ATOM 0 HG21 VAL A 87 17.298 63.270 -22.560 1.00 0.00 H new ATOM 0 HG22 VAL A 87 16.777 64.350 -23.876 1.00 0.00 H new ATOM 0 HG23 VAL A 87 15.564 63.547 -22.851 1.00 0.00 H new ATOM 1268 N THR A 88 15.757 63.245 -27.653 1.00 0.00 N ATOM 1269 CA THR A 88 16.196 64.156 -28.703 1.00 0.00 C ATOM 1270 C THR A 88 15.154 64.262 -29.809 1.00 0.00 C ATOM 1271 O THR A 88 14.877 65.351 -30.312 1.00 0.00 O ATOM 1272 CB THR A 88 17.535 63.703 -29.315 1.00 0.00 C ATOM 1273 OG1 THR A 88 17.661 64.213 -30.648 1.00 0.00 O ATOM 1274 CG2 THR A 88 17.636 62.186 -29.334 1.00 0.00 C ATOM 0 H THR A 88 15.293 62.403 -27.993 1.00 0.00 H new ATOM 0 HA THR A 88 16.329 65.133 -28.239 1.00 0.00 H new ATOM 0 HB THR A 88 18.343 64.096 -28.698 1.00 0.00 H new ATOM 0 HG1 THR A 88 18.515 63.922 -31.030 1.00 0.00 H new ATOM 0 HG21 THR A 88 18.590 61.890 -29.771 1.00 0.00 H new ATOM 0 HG22 THR A 88 17.569 61.804 -28.315 1.00 0.00 H new ATOM 0 HG23 THR A 88 16.821 61.775 -29.930 1.00 0.00 H new ATOM 1282 N ALA A 89 14.579 63.125 -30.186 1.00 0.00 N ATOM 1283 CA ALA A 89 13.565 63.090 -31.232 1.00 0.00 C ATOM 1284 C ALA A 89 12.441 64.079 -30.939 1.00 0.00 C ATOM 1285 O ALA A 89 11.869 64.673 -31.854 1.00 0.00 O ATOM 1286 CB ALA A 89 13.006 61.683 -31.381 1.00 0.00 C ATOM 0 H ALA A 89 14.799 62.215 -29.782 1.00 0.00 H new ATOM 0 HA ALA A 89 14.037 63.382 -32.170 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.250 61.673 -32.166 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.811 60.997 -31.644 1.00 0.00 H new ATOM 0 HB3 ALA A 89 12.556 61.369 -30.439 1.00 0.00 H new ATOM 1292 N ASP A 90 12.128 64.249 -29.660 1.00 0.00 N ATOM 1293 CA ASP A 90 11.071 65.166 -29.247 1.00 0.00 C ATOM 1294 C ASP A 90 11.654 66.377 -28.525 1.00 0.00 C ATOM 1295 O ASP A 90 10.920 67.234 -28.034 1.00 0.00 O ATOM 1296 CB ASP A 90 10.070 64.449 -28.339 1.00 0.00 C ATOM 1297 CG ASP A 90 10.748 63.531 -27.342 1.00 0.00 C ATOM 1298 OD1 ASP A 90 11.168 64.022 -26.273 1.00 0.00 O ATOM 1299 OD2 ASP A 90 10.858 62.321 -27.630 1.00 0.00 O1- ATOM 0 H ASP A 90 12.590 63.764 -28.891 1.00 0.00 H new ATOM 0 HA ASP A 90 10.554 65.513 -30.142 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.476 65.189 -27.802 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.379 63.869 -28.951 1.00 0.00 H new ATOM 1304 N LYS A 91 12.981 66.441 -28.464 1.00 0.00 N ATOM 1305 CA LYS A 91 13.664 67.547 -27.802 1.00 0.00 C ATOM 1306 C LYS A 91 14.567 68.290 -28.781 1.00 0.00 C ATOM 1307 O LYS A 91 14.223 69.373 -29.256 1.00 0.00 O ATOM 1308 CB LYS A 91 14.489 67.029 -26.622 1.00 0.00 C ATOM 1309 CG LYS A 91 15.389 68.084 -26.000 1.00 0.00 C ATOM 1310 CD LYS A 91 14.590 69.287 -25.526 1.00 0.00 C ATOM 1311 CE LYS A 91 15.412 70.170 -24.600 1.00 0.00 C ATOM 1312 NZ LYS A 91 14.773 71.498 -24.388 1.00 0.00 N1+ ATOM 0 H LYS A 91 13.604 65.740 -28.865 1.00 0.00 H new ATOM 0 HA LYS A 91 12.909 68.241 -27.432 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.813 66.644 -25.858 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.102 66.192 -26.957 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.931 67.652 -25.159 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.134 68.404 -26.729 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.260 69.868 -26.387 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.693 68.948 -25.007 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.538 69.670 -23.640 1.00 0.00 H new ATOM 0 HE3 LYS A 91 16.408 70.309 -25.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.465 72.154 -23.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.445 71.875 -25.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.963 71.395 -23.744 1.00 0.00 H new ATOM 1326 N ASP A 92 15.721 67.703 -29.079 1.00 0.00 N ATOM 1327 CA ASP A 92 16.672 68.310 -30.002 1.00 0.00 C ATOM 1328 C ASP A 92 15.976 68.750 -31.287 1.00 0.00 C ATOM 1329 O ASP A 92 16.280 69.807 -31.839 1.00 0.00 O ATOM 1330 CB ASP A 92 17.797 67.326 -30.328 1.00 0.00 C ATOM 1331 CG ASP A 92 18.528 66.852 -29.087 1.00 0.00 C ATOM 1332 OD1 ASP A 92 18.174 67.307 -27.980 1.00 0.00 O ATOM 1333 OD2 ASP A 92 19.454 66.024 -29.224 1.00 0.00 O1- ATOM 0 H ASP A 92 16.020 66.807 -28.694 1.00 0.00 H new ATOM 0 HA ASP A 92 17.098 69.190 -29.521 1.00 0.00 H new ATOM 0 HB2 ASP A 92 17.382 66.465 -30.853 1.00 0.00 H new ATOM 0 HB3 ASP A 92 18.507 67.801 -31.005 1.00 0.00 H new ATOM 1338 N GLY A 93 15.042 67.931 -31.759 1.00 0.00 N ATOM 1339 CA GLY A 93 14.319 68.252 -32.975 1.00 0.00 C ATOM 1340 C GLY A 93 13.741 69.653 -32.954 1.00 0.00 C ATOM 1341 O GLY A 93 13.390 70.204 -33.996 1.00 0.00 O ATOM 0 H GLY A 93 14.773 67.050 -31.321 1.00 0.00 H new ATOM 0 HA2 GLY A 93 14.989 68.151 -33.829 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.513 67.532 -33.115 1.00 0.00 H new ATOM 1345 N VAL A 94 13.640 70.232 -31.760 1.00 0.00 N ATOM 1346 CA VAL A 94 13.100 71.577 -31.606 1.00 0.00 C ATOM 1347 C VAL A 94 14.056 72.466 -30.819 1.00 0.00 C ATOM 1348 O VAL A 94 14.033 73.689 -30.951 1.00 0.00 O ATOM 1349 CB VAL A 94 11.734 71.555 -30.896 1.00 0.00 C ATOM 1350 CG1 VAL A 94 11.914 71.649 -29.388 1.00 0.00 C ATOM 1351 CG2 VAL A 94 10.850 72.684 -31.406 1.00 0.00 C ATOM 0 H VAL A 94 13.925 69.790 -30.886 1.00 0.00 H new ATOM 0 HA VAL A 94 12.973 71.984 -32.609 1.00 0.00 H new ATOM 0 HB VAL A 94 11.243 70.609 -31.121 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.938 71.632 -28.903 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.507 70.804 -29.039 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.426 72.579 -29.140 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.889 72.653 -30.893 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.334 73.641 -31.212 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.693 72.567 -32.478 1.00 0.00 H new ATOM 1361 N ALA A 95 14.897 71.842 -30.000 1.00 0.00 N ATOM 1362 CA ALA A 95 15.864 72.576 -29.193 1.00 0.00 C ATOM 1363 C ALA A 95 17.287 72.322 -29.675 1.00 0.00 C ATOM 1364 O ALA A 95 18.229 72.311 -28.882 1.00 0.00 O ATOM 1365 CB ALA A 95 15.724 72.195 -27.727 1.00 0.00 C ATOM 0 H ALA A 95 14.928 70.830 -29.878 1.00 0.00 H new ATOM 0 HA ALA A 95 15.658 73.641 -29.302 1.00 0.00 H new ATOM 0 HB1 ALA A 95 16.452 72.750 -27.136 1.00 0.00 H new ATOM 0 HB2 ALA A 95 14.718 72.435 -27.383 1.00 0.00 H new ATOM 0 HB3 ALA A 95 15.902 71.126 -27.610 1.00 0.00 H new ATOM 1371 N ASP A 96 17.438 72.117 -30.979 1.00 0.00 N ATOM 1372 CA ASP A 96 18.747 71.864 -31.568 1.00 0.00 C ATOM 1373 C ASP A 96 18.644 71.716 -33.083 1.00 0.00 C ATOM 1374 O ASP A 96 19.598 71.993 -33.810 1.00 0.00 O ATOM 1375 CB ASP A 96 19.366 70.603 -30.962 1.00 0.00 C ATOM 1376 CG ASP A 96 20.413 70.919 -29.913 1.00 0.00 C ATOM 1377 OD1 ASP A 96 21.300 71.752 -30.193 1.00 0.00 O ATOM 1378 OD2 ASP A 96 20.347 70.333 -28.811 1.00 0.00 O1- ATOM 0 H ASP A 96 16.669 72.121 -31.649 1.00 0.00 H new ATOM 0 HA ASP A 96 19.388 72.718 -31.348 1.00 0.00 H new ATOM 0 HB2 ASP A 96 18.580 69.995 -30.515 1.00 0.00 H new ATOM 0 HB3 ASP A 96 19.818 70.007 -31.755 1.00 0.00 H new ATOM 1383 N VAL A 97 17.479 71.280 -33.552 1.00 0.00 N ATOM 1384 CA VAL A 97 17.251 71.095 -34.980 1.00 0.00 C ATOM 1385 C VAL A 97 16.151 72.024 -35.484 1.00 0.00 C ATOM 1386 O VAL A 97 15.532 71.766 -36.516 1.00 0.00 O ATOM 1387 CB VAL A 97 16.867 69.639 -35.304 1.00 0.00 C ATOM 1388 CG1 VAL A 97 17.003 69.370 -36.795 1.00 0.00 C ATOM 1389 CG2 VAL A 97 17.720 68.672 -34.499 1.00 0.00 C ATOM 0 H VAL A 97 16.679 71.048 -32.964 1.00 0.00 H new ATOM 0 HA VAL A 97 18.187 71.336 -35.484 1.00 0.00 H new ATOM 0 HB VAL A 97 15.824 69.486 -35.026 1.00 0.00 H new ATOM 0 HG11 VAL A 97 16.728 68.336 -37.005 1.00 0.00 H new ATOM 0 HG12 VAL A 97 16.344 70.040 -37.347 1.00 0.00 H new ATOM 0 HG13 VAL A 97 18.035 69.540 -37.103 1.00 0.00 H new ATOM 0 HG21 VAL A 97 17.435 67.648 -34.740 1.00 0.00 H new ATOM 0 HG22 VAL A 97 18.771 68.824 -34.744 1.00 0.00 H new ATOM 0 HG23 VAL A 97 17.566 68.850 -33.435 1.00 0.00 H new ATOM 1399 N SER A 98 15.915 73.106 -34.749 1.00 0.00 N ATOM 1400 CA SER A 98 14.887 74.072 -35.120 1.00 0.00 C ATOM 1401 C SER A 98 15.359 75.498 -34.847 1.00 0.00 C ATOM 1402 O SER A 98 15.156 76.396 -35.664 1.00 0.00 O ATOM 1403 CB SER A 98 13.595 73.794 -34.351 1.00 0.00 C ATOM 1404 OG SER A 98 12.540 74.620 -34.812 1.00 0.00 O ATOM 0 H SER A 98 16.421 73.336 -33.894 1.00 0.00 H new ATOM 0 HA SER A 98 14.694 73.969 -36.188 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.318 72.746 -34.466 1.00 0.00 H new ATOM 0 HB3 SER A 98 13.757 73.966 -33.287 1.00 0.00 H new ATOM 0 HG SER A 98 11.725 74.422 -34.306 1.00 0.00 H new ATOM 1410 N ILE A 99 15.987 75.696 -33.693 1.00 0.00 N ATOM 1411 CA ILE A 99 16.488 77.009 -33.312 1.00 0.00 C ATOM 1412 C ILE A 99 17.457 77.553 -34.357 1.00 0.00 C ATOM 1413 O ILE A 99 17.411 78.732 -34.707 1.00 0.00 O ATOM 1414 CB ILE A 99 17.195 76.969 -31.944 1.00 0.00 C ATOM 1415 CG1 ILE A 99 16.276 76.349 -30.890 1.00 0.00 C ATOM 1416 CG2 ILE A 99 17.622 78.368 -31.527 1.00 0.00 C ATOM 1417 CD1 ILE A 99 16.899 76.277 -29.514 1.00 0.00 C ATOM 0 H ILE A 99 16.161 74.963 -33.006 1.00 0.00 H new ATOM 0 HA ILE A 99 15.622 77.668 -33.244 1.00 0.00 H new ATOM 0 HB ILE A 99 18.088 76.350 -32.030 1.00 0.00 H new ATOM 0 HG12 ILE A 99 15.356 76.931 -30.834 1.00 0.00 H new ATOM 0 HG13 ILE A 99 15.998 75.344 -31.207 1.00 0.00 H new ATOM 0 HG21 ILE A 99 18.120 78.323 -30.558 1.00 0.00 H new ATOM 0 HG22 ILE A 99 18.308 78.775 -32.269 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.744 79.010 -31.454 1.00 0.00 H new ATOM 0 HD11 ILE A 99 16.192 75.827 -28.817 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.804 75.670 -29.555 1.00 0.00 H new ATOM 0 HD13 ILE A 99 17.151 77.282 -29.176 1.00 0.00 H new ATOM 1429 N GLU A 100 18.333 76.684 -34.852 1.00 0.00 N ATOM 1430 CA GLU A 100 19.312 77.076 -35.858 1.00 0.00 C ATOM 1431 C GLU A 100 18.636 77.357 -37.196 1.00 0.00 C ATOM 1432 O GLU A 100 19.042 78.256 -37.933 1.00 0.00 O ATOM 1433 CB GLU A 100 20.370 75.982 -36.028 1.00 0.00 C ATOM 1434 CG GLU A 100 20.884 75.424 -34.712 1.00 0.00 C ATOM 1435 CD GLU A 100 22.209 74.703 -34.863 1.00 0.00 C ATOM 1436 OE1 GLU A 100 22.246 73.672 -35.567 1.00 0.00 O ATOM 1437 OE2 GLU A 100 23.209 75.169 -34.278 1.00 0.00 O1- ATOM 0 H GLU A 100 18.384 75.704 -34.572 1.00 0.00 H new ATOM 0 HA GLU A 100 19.797 77.990 -35.517 1.00 0.00 H new ATOM 0 HB2 GLU A 100 19.948 75.168 -36.618 1.00 0.00 H new ATOM 0 HB3 GLU A 100 21.209 76.385 -36.595 1.00 0.00 H new ATOM 0 HG2 GLU A 100 20.997 76.238 -33.996 1.00 0.00 H new ATOM 0 HG3 GLU A 100 20.145 74.737 -34.300 1.00 0.00 H new ATOM 1444 N ASP A 101 17.602 76.582 -37.504 1.00 0.00 N ATOM 1445 CA ASP A 101 16.867 76.747 -38.752 1.00 0.00 C ATOM 1446 C ASP A 101 15.925 77.943 -38.675 1.00 0.00 C ATOM 1447 O ASP A 101 15.439 78.431 -39.696 1.00 0.00 O ATOM 1448 CB ASP A 101 16.076 75.478 -39.074 1.00 0.00 C ATOM 1449 CG ASP A 101 15.052 75.697 -40.171 1.00 0.00 C ATOM 1450 OD1 ASP A 101 13.923 76.125 -39.851 1.00 0.00 O ATOM 1451 OD2 ASP A 101 15.379 75.440 -41.348 1.00 0.00 O1- ATOM 0 H ASP A 101 17.254 75.833 -36.906 1.00 0.00 H new ATOM 0 HA ASP A 101 17.589 76.928 -39.548 1.00 0.00 H new ATOM 0 HB2 ASP A 101 16.766 74.690 -39.377 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.570 75.130 -38.173 1.00 0.00 H new ATOM 1456 N SER A 102 15.669 78.411 -37.456 1.00 0.00 N ATOM 1457 CA SER A 102 14.779 79.546 -37.246 1.00 0.00 C ATOM 1458 C SER A 102 15.577 80.837 -37.084 1.00 0.00 C ATOM 1459 O SER A 102 15.187 81.889 -37.592 1.00 0.00 O ATOM 1460 CB SER A 102 13.907 79.316 -36.010 1.00 0.00 C ATOM 1461 OG SER A 102 12.608 79.851 -36.197 1.00 0.00 O ATOM 0 H SER A 102 16.065 78.021 -36.601 1.00 0.00 H new ATOM 0 HA SER A 102 14.138 79.641 -38.122 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.838 78.248 -35.803 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.373 79.779 -35.141 1.00 0.00 H new ATOM 0 HG SER A 102 12.069 79.690 -35.394 1.00 0.00 H new ATOM 1467 N VAL A 103 16.696 80.749 -36.374 1.00 0.00 N ATOM 1468 CA VAL A 103 17.551 81.908 -36.146 1.00 0.00 C ATOM 1469 C VAL A 103 18.154 82.412 -37.453 1.00 0.00 C ATOM 1470 O VAL A 103 18.509 83.585 -37.573 1.00 0.00 O ATOM 1471 CB VAL A 103 18.689 81.582 -35.161 1.00 0.00 C ATOM 1472 CG1 VAL A 103 19.741 80.710 -35.830 1.00 0.00 C ATOM 1473 CG2 VAL A 103 19.310 82.861 -34.621 1.00 0.00 C ATOM 0 H VAL A 103 17.033 79.886 -35.946 1.00 0.00 H new ATOM 0 HA VAL A 103 16.920 82.686 -35.716 1.00 0.00 H new ATOM 0 HB VAL A 103 18.271 81.026 -34.322 1.00 0.00 H new ATOM 0 HG11 VAL A 103 20.537 80.490 -35.119 1.00 0.00 H new ATOM 0 HG12 VAL A 103 19.283 79.778 -36.162 1.00 0.00 H new ATOM 0 HG13 VAL A 103 20.157 81.236 -36.689 1.00 0.00 H new ATOM 0 HG21 VAL A 103 20.112 82.611 -33.927 1.00 0.00 H new ATOM 0 HG22 VAL A 103 19.714 83.446 -35.447 1.00 0.00 H new ATOM 0 HG23 VAL A 103 18.549 83.444 -34.102 1.00 0.00 H new ATOM 1483 N ILE A 104 18.267 81.519 -38.430 1.00 0.00 N ATOM 1484 CA ILE A 104 18.825 81.873 -39.728 1.00 0.00 C ATOM 1485 C ILE A 104 17.724 82.222 -40.724 1.00 0.00 C ATOM 1486 O ILE A 104 17.930 83.019 -41.639 1.00 0.00 O ATOM 1487 CB ILE A 104 19.679 80.728 -40.305 1.00 0.00 C ATOM 1488 CG1 ILE A 104 20.838 80.402 -39.362 1.00 0.00 C ATOM 1489 CG2 ILE A 104 20.201 81.100 -41.685 1.00 0.00 C ATOM 1490 CD1 ILE A 104 21.822 81.539 -39.196 1.00 0.00 C ATOM 0 H ILE A 104 17.979 80.544 -38.347 1.00 0.00 H new ATOM 0 HA ILE A 104 19.459 82.745 -39.571 1.00 0.00 H new ATOM 0 HB ILE A 104 19.053 79.841 -40.401 1.00 0.00 H new ATOM 0 HG12 ILE A 104 20.436 80.135 -38.385 1.00 0.00 H new ATOM 0 HG13 ILE A 104 21.367 79.527 -39.739 1.00 0.00 H new ATOM 0 HG21 ILE A 104 20.803 80.281 -42.079 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.361 81.288 -42.353 1.00 0.00 H new ATOM 0 HG23 ILE A 104 20.814 81.998 -41.612 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.616 81.236 -38.514 1.00 0.00 H new ATOM 0 HD12 ILE A 104 22.252 81.792 -40.165 1.00 0.00 H new ATOM 0 HD13 ILE A 104 21.307 82.409 -38.789 1.00 0.00 H new ATOM 1502 N SER A 105 16.553 81.622 -40.537 1.00 0.00 N ATOM 1503 CA SER A 105 15.419 81.868 -41.419 1.00 0.00 C ATOM 1504 C SER A 105 14.728 83.180 -41.063 1.00 0.00 C ATOM 1505 O SER A 105 14.153 83.847 -41.924 1.00 0.00 O ATOM 1506 CB SER A 105 14.419 80.713 -41.334 1.00 0.00 C ATOM 1507 OG SER A 105 14.841 79.614 -42.123 1.00 0.00 O ATOM 0 H SER A 105 16.365 80.962 -39.782 1.00 0.00 H new ATOM 0 HA SER A 105 15.794 81.940 -42.440 1.00 0.00 H new ATOM 0 HB2 SER A 105 14.309 80.399 -40.296 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.439 81.051 -41.670 1.00 0.00 H new ATOM 0 HG SER A 105 15.166 78.898 -41.539 1.00 0.00 H new ATOM 1513 N LEU A 106 14.787 83.545 -39.787 1.00 0.00 N ATOM 1514 CA LEU A 106 14.168 84.779 -39.314 1.00 0.00 C ATOM 1515 C LEU A 106 14.831 85.998 -39.945 1.00 0.00 C ATOM 1516 O LEU A 106 14.155 86.939 -40.362 1.00 0.00 O ATOM 1517 CB LEU A 106 14.259 84.867 -37.790 1.00 0.00 C ATOM 1518 CG LEU A 106 12.978 84.544 -37.021 1.00 0.00 C ATOM 1519 CD1 LEU A 106 11.947 85.646 -37.214 1.00 0.00 C ATOM 1520 CD2 LEU A 106 12.415 83.201 -37.463 1.00 0.00 C ATOM 0 H LEU A 106 15.257 83.004 -39.061 1.00 0.00 H new ATOM 0 HA LEU A 106 13.119 84.766 -39.609 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.042 84.188 -37.453 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.575 85.875 -37.523 1.00 0.00 H new ATOM 0 HG LEU A 106 13.220 84.483 -35.960 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.042 85.399 -36.659 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.351 86.590 -36.848 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.709 85.740 -38.274 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.503 82.987 -36.905 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.189 83.234 -38.529 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.149 82.418 -37.272 1.00 0.00 H new ATOM 1532 N SER A 107 16.159 85.974 -40.016 1.00 0.00 N ATOM 1533 CA SER A 107 16.913 87.079 -40.596 1.00 0.00 C ATOM 1534 C SER A 107 17.336 86.756 -42.026 1.00 0.00 C ATOM 1535 O SER A 107 17.830 87.620 -42.749 1.00 0.00 O ATOM 1536 CB SER A 107 18.147 87.383 -39.744 1.00 0.00 C ATOM 1537 OG SER A 107 18.965 86.234 -39.601 1.00 0.00 O ATOM 0 H SER A 107 16.734 85.202 -39.679 1.00 0.00 H new ATOM 0 HA SER A 107 16.268 87.957 -40.616 1.00 0.00 H new ATOM 0 HB2 SER A 107 18.721 88.187 -40.204 1.00 0.00 H new ATOM 0 HB3 SER A 107 17.836 87.736 -38.761 1.00 0.00 H new ATOM 0 HG SER A 107 19.747 86.455 -39.054 1.00 0.00 H new ATOM 1543 N GLY A 108 17.136 85.504 -42.428 1.00 0.00 N ATOM 1544 CA GLY A 108 17.502 85.089 -43.769 1.00 0.00 C ATOM 1545 C GLY A 108 16.297 84.935 -44.677 1.00 0.00 C ATOM 1546 O GLY A 108 16.438 84.622 -45.859 1.00 0.00 O ATOM 0 H GLY A 108 16.727 84.771 -41.849 1.00 0.00 H new ATOM 0 HA2 GLY A 108 18.186 85.821 -44.199 1.00 0.00 H new ATOM 0 HA3 GLY A 108 18.039 84.142 -43.719 1.00 0.00 H new ATOM 1550 N ASP A 109 15.109 85.155 -44.123 1.00 0.00 N ATOM 1551 CA ASP A 109 13.876 85.039 -44.891 1.00 0.00 C ATOM 1552 C ASP A 109 12.938 86.205 -44.592 1.00 0.00 C ATOM 1553 O ASP A 109 11.778 86.204 -45.004 1.00 0.00 O ATOM 1554 CB ASP A 109 13.178 83.714 -44.578 1.00 0.00 C ATOM 1555 CG ASP A 109 12.709 82.997 -45.829 1.00 0.00 C ATOM 1556 OD1 ASP A 109 12.017 83.632 -46.652 1.00 0.00 O ATOM 1557 OD2 ASP A 109 13.034 81.801 -45.985 1.00 0.00 O1- ATOM 0 H ASP A 109 14.975 85.414 -43.146 1.00 0.00 H new ATOM 0 HA ASP A 109 14.133 85.065 -45.950 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.861 83.068 -44.027 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.323 83.902 -43.928 1.00 0.00 H new ATOM 1562 N HIS A 110 13.449 87.198 -43.871 1.00 0.00 N ATOM 1563 CA HIS A 110 12.657 88.371 -43.517 1.00 0.00 C ATOM 1564 C HIS A 110 13.424 89.656 -43.814 1.00 0.00 C ATOM 1565 O HIS A 110 12.872 90.753 -43.739 1.00 0.00 O ATOM 1566 CB HIS A 110 12.272 88.324 -42.038 1.00 0.00 C ATOM 1567 CG HIS A 110 11.019 89.081 -41.720 1.00 0.00 C ATOM 1568 ND1 HIS A 110 9.856 88.952 -42.451 1.00 0.00 N ATOM 1569 CD2 HIS A 110 10.750 89.978 -40.744 1.00 0.00 C ATOM 1570 CE1 HIS A 110 8.927 89.738 -41.937 1.00 0.00 C ATOM 1571 NE2 HIS A 110 9.443 90.372 -40.901 1.00 0.00 N ATOM 0 H HIS A 110 14.407 87.214 -43.521 1.00 0.00 H new ATOM 0 HA HIS A 110 11.751 88.362 -44.122 1.00 0.00 H new ATOM 0 HB2 HIS A 110 12.144 87.284 -41.737 1.00 0.00 H new ATOM 0 HB3 HIS A 110 13.092 88.729 -41.445 1.00 0.00 H new ATOM 0 HD2 HIS A 110 11.435 90.321 -39.983 1.00 0.00 H new ATOM 0 HE1 HIS A 110 7.916 89.844 -42.303 1.00 0.00 H new ATOM 0 HE2 HIS A 110 8.952 91.045 -40.313 1.00 0.00 H new ATOM 1579 N CYS A 111 14.702 89.511 -44.151 1.00 0.00 N ATOM 1580 CA CYS A 111 15.546 90.660 -44.459 1.00 0.00 C ATOM 1581 C CYS A 111 16.002 90.625 -45.913 1.00 0.00 C ATOM 1582 O CYS A 111 16.139 91.666 -46.556 1.00 0.00 O ATOM 1583 CB CYS A 111 16.761 90.689 -43.529 1.00 0.00 C ATOM 1584 SG CYS A 111 16.888 92.188 -42.527 1.00 0.00 S ATOM 0 H CYS A 111 15.175 88.610 -44.218 1.00 0.00 H new ATOM 0 HA CYS A 111 14.958 91.565 -44.305 1.00 0.00 H new ATOM 0 HB2 CYS A 111 16.719 89.825 -42.866 1.00 0.00 H new ATOM 0 HB3 CYS A 111 17.666 90.587 -44.128 1.00 0.00 H new ATOM 0 HG CYS A 111 17.945 92.118 -41.773 1.00 0.00 H new ATOM 1590 N ILE A 112 16.240 89.422 -46.425 1.00 0.00 N ATOM 1591 CA ILE A 112 16.683 89.252 -47.803 1.00 0.00 C ATOM 1592 C ILE A 112 15.535 88.795 -48.696 1.00 0.00 C ATOM 1593 O ILE A 112 15.393 89.259 -49.829 1.00 0.00 O ATOM 1594 CB ILE A 112 17.834 88.234 -47.903 1.00 0.00 C ATOM 1595 CG1 ILE A 112 18.227 88.018 -49.365 1.00 0.00 C ATOM 1596 CG2 ILE A 112 17.433 86.916 -47.257 1.00 0.00 C ATOM 1597 CD1 ILE A 112 19.488 87.201 -49.538 1.00 0.00 C ATOM 0 H ILE A 112 16.133 88.551 -45.906 1.00 0.00 H new ATOM 0 HA ILE A 112 17.040 90.224 -48.143 1.00 0.00 H new ATOM 0 HB ILE A 112 18.697 88.631 -47.369 1.00 0.00 H new ATOM 0 HG12 ILE A 112 17.407 87.520 -49.883 1.00 0.00 H new ATOM 0 HG13 ILE A 112 18.364 88.988 -49.843 1.00 0.00 H new ATOM 0 HG21 ILE A 112 18.257 86.207 -47.336 1.00 0.00 H new ATOM 0 HG22 ILE A 112 17.197 87.083 -46.206 1.00 0.00 H new ATOM 0 HG23 ILE A 112 16.557 86.513 -47.766 1.00 0.00 H new ATOM 0 HD11 ILE A 112 19.706 87.088 -50.600 1.00 0.00 H new ATOM 0 HD12 ILE A 112 20.320 87.708 -49.049 1.00 0.00 H new ATOM 0 HD13 ILE A 112 19.349 86.217 -49.090 1.00 0.00 H new ATOM 1609 N ILE A 113 14.717 87.884 -48.180 1.00 0.00 N ATOM 1610 CA ILE A 113 13.580 87.367 -48.930 1.00 0.00 C ATOM 1611 C ILE A 113 12.291 88.085 -48.541 1.00 0.00 C ATOM 1612 O ILE A 113 11.629 88.693 -49.382 1.00 0.00 O ATOM 1613 CB ILE A 113 13.398 85.854 -48.704 1.00 0.00 C ATOM 1614 CG1 ILE A 113 14.615 85.089 -49.227 1.00 0.00 C ATOM 1615 CG2 ILE A 113 12.127 85.366 -49.384 1.00 0.00 C ATOM 1616 CD1 ILE A 113 14.996 83.902 -48.369 1.00 0.00 C ATOM 0 H ILE A 113 14.821 87.489 -47.245 1.00 0.00 H new ATOM 0 HA ILE A 113 13.790 87.547 -49.984 1.00 0.00 H new ATOM 0 HB ILE A 113 13.308 85.669 -47.634 1.00 0.00 H new ATOM 0 HG12 ILE A 113 14.409 84.744 -50.240 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.464 85.770 -49.288 1.00 0.00 H new ATOM 0 HG21 ILE A 113 12.012 84.295 -49.215 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.267 85.893 -48.970 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.190 85.560 -50.455 1.00 0.00 H new ATOM 0 HD11 ILE A 113 15.867 83.407 -48.799 1.00 0.00 H new ATOM 0 HD12 ILE A 113 15.233 84.243 -47.361 1.00 0.00 H new ATOM 0 HD13 ILE A 113 14.163 83.200 -48.328 1.00 0.00 H new ATOM 1628 N GLY A 114 11.944 88.015 -47.260 1.00 0.00 N ATOM 1629 CA GLY A 114 10.738 88.665 -46.781 1.00 0.00 C ATOM 1630 C GLY A 114 10.759 90.163 -47.007 1.00 0.00 C ATOM 1631 O GLY A 114 9.713 90.815 -46.992 1.00 0.00 O ATOM 0 H GLY A 114 12.477 87.520 -46.545 1.00 0.00 H new ATOM 0 HA2 GLY A 114 9.873 88.236 -47.286 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.618 88.463 -45.717 1.00 0.00 H new ATOM 1635 N ARG A 115 11.950 90.712 -47.216 1.00 0.00 N ATOM 1636 CA ARG A 115 12.103 92.145 -47.442 1.00 0.00 C ATOM 1637 C ARG A 115 11.481 92.554 -48.774 1.00 0.00 C ATOM 1638 O ARG A 115 10.601 93.415 -48.824 1.00 0.00 O ATOM 1639 CB ARG A 115 13.582 92.532 -47.417 1.00 0.00 C ATOM 1640 CG ARG A 115 13.843 93.966 -47.845 1.00 0.00 C ATOM 1641 CD ARG A 115 14.643 94.026 -49.137 1.00 0.00 C ATOM 1642 NE ARG A 115 15.907 93.302 -49.031 1.00 0.00 N ATOM 1643 CZ ARG A 115 16.937 93.497 -49.848 1.00 0.00 C ATOM 1644 NH1 ARG A 115 16.852 94.390 -50.825 1.00 0.00 N1+ ATOM 1645 NH2 ARG A 115 18.053 92.799 -49.688 1.00 0.00 N ATOM 0 H ARG A 115 12.824 90.187 -47.234 1.00 0.00 H new ATOM 0 HA ARG A 115 11.584 92.671 -46.641 1.00 0.00 H new ATOM 0 HB2 ARG A 115 13.970 92.386 -46.409 1.00 0.00 H new ATOM 0 HB3 ARG A 115 14.136 91.860 -48.072 1.00 0.00 H new ATOM 0 HG2 ARG A 115 12.894 94.485 -47.979 1.00 0.00 H new ATOM 0 HG3 ARG A 115 14.384 94.489 -47.056 1.00 0.00 H new ATOM 0 HD2 ARG A 115 14.051 93.605 -49.950 1.00 0.00 H new ATOM 0 HD3 ARG A 115 14.842 95.067 -49.393 1.00 0.00 H new ATOM 0 HE ARG A 115 16.005 92.609 -48.289 1.00 0.00 H new ATOM 0 HH11 ARG A 115 15.995 94.929 -50.950 1.00 0.00 H new ATOM 0 HH12 ARG A 115 17.644 94.538 -51.451 1.00 0.00 H new ATOM 0 HH21 ARG A 115 18.121 92.112 -48.937 1.00 0.00 H new ATOM 0 HH22 ARG A 115 18.843 92.949 -50.316 1.00 0.00 H new ATOM 1659 N THR A 116 11.944 91.931 -49.853 1.00 0.00 N ATOM 1660 CA THR A 116 11.436 92.231 -51.186 1.00 0.00 C ATOM 1661 C THR A 116 10.027 91.680 -51.374 1.00 0.00 C ATOM 1662 O THR A 116 9.184 92.307 -52.014 1.00 0.00 O ATOM 1663 CB THR A 116 12.352 91.651 -52.280 1.00 0.00 C ATOM 1664 OG1 THR A 116 11.827 91.964 -53.575 1.00 0.00 O ATOM 1665 CG2 THR A 116 12.484 90.143 -52.133 1.00 0.00 C ATOM 0 H THR A 116 12.670 91.215 -49.830 1.00 0.00 H new ATOM 0 HA THR A 116 11.414 93.317 -51.279 1.00 0.00 H new ATOM 0 HB THR A 116 13.340 92.099 -52.170 1.00 0.00 H new ATOM 0 HG1 THR A 116 11.790 91.149 -54.119 1.00 0.00 H new ATOM 0 HG21 THR A 116 13.136 89.757 -52.917 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.911 89.908 -51.158 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.500 89.682 -52.219 1.00 0.00 H new ATOM 1673 N LEU A 117 9.778 90.502 -50.812 1.00 0.00 N ATOM 1674 CA LEU A 117 8.469 89.865 -50.917 1.00 0.00 C ATOM 1675 C LEU A 117 7.396 90.713 -50.243 1.00 0.00 C ATOM 1676 O LEU A 117 6.233 90.697 -50.646 1.00 0.00 O ATOM 1677 CB LEU A 117 8.507 88.472 -50.287 1.00 0.00 C ATOM 1678 CG LEU A 117 7.154 87.784 -50.098 1.00 0.00 C ATOM 1679 CD1 LEU A 117 6.376 87.770 -51.404 1.00 0.00 C ATOM 1680 CD2 LEU A 117 7.343 86.369 -49.572 1.00 0.00 C ATOM 0 H LEU A 117 10.465 89.969 -50.279 1.00 0.00 H new ATOM 0 HA LEU A 117 8.220 89.772 -51.974 1.00 0.00 H new ATOM 0 HB2 LEU A 117 9.134 87.832 -50.907 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.993 88.548 -49.314 1.00 0.00 H new ATOM 0 HG LEU A 117 6.580 88.349 -49.363 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.416 87.277 -51.250 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.208 88.794 -51.739 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.945 87.230 -52.161 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.370 85.895 -49.444 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.936 85.793 -50.282 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.859 86.403 -48.612 1.00 0.00 H new ATOM 1692 N VAL A 118 7.794 91.453 -49.214 1.00 0.00 N ATOM 1693 CA VAL A 118 6.867 92.310 -48.485 1.00 0.00 C ATOM 1694 C VAL A 118 6.951 93.752 -48.975 1.00 0.00 C ATOM 1695 O VAL A 118 6.009 94.530 -48.812 1.00 0.00 O ATOM 1696 CB VAL A 118 7.145 92.278 -46.969 1.00 0.00 C ATOM 1697 CG1 VAL A 118 6.283 93.302 -46.247 1.00 0.00 C ATOM 1698 CG2 VAL A 118 6.909 90.882 -46.415 1.00 0.00 C ATOM 0 H VAL A 118 8.753 91.476 -48.866 1.00 0.00 H new ATOM 0 HA VAL A 118 5.865 91.923 -48.671 1.00 0.00 H new ATOM 0 HB VAL A 118 8.190 92.538 -46.802 1.00 0.00 H new ATOM 0 HG11 VAL A 118 6.493 93.265 -45.178 1.00 0.00 H new ATOM 0 HG12 VAL A 118 6.507 94.299 -46.627 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.230 93.077 -46.418 1.00 0.00 H new ATOM 0 HG21 VAL A 118 7.110 90.877 -45.344 1.00 0.00 H new ATOM 0 HG22 VAL A 118 5.874 90.591 -46.592 1.00 0.00 H new ATOM 0 HG23 VAL A 118 7.574 90.176 -46.912 1.00 0.00 H new ATOM 1708 N VAL A 119 8.082 94.102 -49.576 1.00 0.00 N ATOM 1709 CA VAL A 119 8.288 95.450 -50.092 1.00 0.00 C ATOM 1710 C VAL A 119 7.501 95.673 -51.379 1.00 0.00 C ATOM 1711 O VAL A 119 6.663 96.571 -51.459 1.00 0.00 O ATOM 1712 CB VAL A 119 9.780 95.726 -50.362 1.00 0.00 C ATOM 1713 CG1 VAL A 119 9.940 96.739 -51.486 1.00 0.00 C ATOM 1714 CG2 VAL A 119 10.469 96.210 -49.095 1.00 0.00 C ATOM 0 H VAL A 119 8.871 93.471 -49.718 1.00 0.00 H new ATOM 0 HA VAL A 119 7.931 96.139 -49.327 1.00 0.00 H new ATOM 0 HB VAL A 119 10.254 94.795 -50.673 1.00 0.00 H new ATOM 0 HG11 VAL A 119 11.000 96.922 -51.663 1.00 0.00 H new ATOM 0 HG12 VAL A 119 9.482 96.349 -52.395 1.00 0.00 H new ATOM 0 HG13 VAL A 119 9.453 97.673 -51.206 1.00 0.00 H new ATOM 0 HG21 VAL A 119 11.522 96.400 -49.303 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.995 97.130 -48.752 1.00 0.00 H new ATOM 0 HG23 VAL A 119 10.384 95.447 -48.321 1.00 0.00 H new ATOM 1724 N HIS A 120 7.776 94.848 -52.384 1.00 0.00 N ATOM 1725 CA HIS A 120 7.093 94.953 -53.668 1.00 0.00 C ATOM 1726 C HIS A 120 6.363 93.656 -54.003 1.00 0.00 C ATOM 1727 O HIS A 120 5.313 93.672 -54.646 1.00 0.00 O ATOM 1728 CB HIS A 120 8.091 95.291 -54.775 1.00 0.00 C ATOM 1729 CG HIS A 120 8.257 96.763 -55.005 1.00 0.00 C ATOM 1730 ND1 HIS A 120 8.211 97.803 -54.140 1.00 0.00 N flip ATOM 1731 CD2 HIS A 120 8.498 97.308 -56.247 1.00 0.00 C flip ATOM 1732 CE1 HIS A 120 8.426 98.946 -54.869 1.00 0.00 C flip ATOM 1733 NE2 HIS A 120 8.597 98.620 -56.138 1.00 0.00 N flip ATOM 0 H HIS A 120 8.467 94.099 -52.334 1.00 0.00 H new ATOM 0 HA HIS A 120 6.358 95.755 -53.596 1.00 0.00 H new ATOM 0 HB2 HIS A 120 9.060 94.860 -54.523 1.00 0.00 H new ATOM 0 HB3 HIS A 120 7.764 94.821 -55.703 1.00 0.00 H new ATOM 0 HD2 HIS A 120 8.591 96.749 -57.166 1.00 0.00 H new ATOM 0 HE1 HIS A 120 8.451 99.949 -54.470 1.00 0.00 H new ATOM 0 HE2 HIS A 120 8.775 99.271 -56.903 1.00 0.00 H new ATOM 1741 N GLU A 121 6.927 92.535 -53.565 1.00 0.00 N ATOM 1742 CA GLU A 121 6.330 91.230 -53.820 1.00 0.00 C ATOM 1743 C GLU A 121 6.466 90.848 -55.291 1.00 0.00 C ATOM 1744 O GLU A 121 5.991 89.795 -55.719 1.00 0.00 O ATOM 1745 CB GLU A 121 4.854 91.230 -53.416 1.00 0.00 C ATOM 1746 CG GLU A 121 3.900 91.165 -54.597 1.00 0.00 C ATOM 1747 CD GLU A 121 2.485 91.563 -54.226 1.00 0.00 C ATOM 1748 OE1 GLU A 121 2.297 92.141 -53.134 1.00 0.00 O ATOM 1749 OE2 GLU A 121 1.565 91.299 -55.028 1.00 0.00 O1- ATOM 0 H GLU A 121 7.796 92.505 -53.032 1.00 0.00 H new ATOM 0 HA GLU A 121 6.863 90.492 -53.220 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.665 90.380 -52.760 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.644 92.131 -52.839 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.262 91.821 -55.388 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.895 90.152 -55.000 1.00 0.00 H new ATOM 1756 N LYS A 122 7.117 91.712 -56.064 1.00 0.00 N ATOM 1757 CA LYS A 122 7.317 91.467 -57.486 1.00 0.00 C ATOM 1758 C LYS A 122 8.196 90.242 -57.710 1.00 0.00 C ATOM 1759 O LYS A 122 7.748 89.236 -58.258 1.00 0.00 O ATOM 1760 CB LYS A 122 7.951 92.692 -58.151 1.00 0.00 C ATOM 1761 CG LYS A 122 8.421 92.437 -59.573 1.00 0.00 C ATOM 1762 CD LYS A 122 9.935 92.488 -59.677 1.00 0.00 C ATOM 1763 CE LYS A 122 10.409 93.807 -60.270 1.00 0.00 C ATOM 1764 NZ LYS A 122 10.922 94.733 -59.223 1.00 0.00 N1+ ATOM 0 H LYS A 122 7.515 92.589 -55.728 1.00 0.00 H new ATOM 0 HA LYS A 122 6.343 91.279 -57.937 1.00 0.00 H new ATOM 0 HB2 LYS A 122 7.227 93.507 -58.157 1.00 0.00 H new ATOM 0 HB3 LYS A 122 8.799 93.023 -57.551 1.00 0.00 H new ATOM 0 HG2 LYS A 122 8.065 91.462 -59.905 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.984 93.180 -60.240 1.00 0.00 H new ATOM 0 HD2 LYS A 122 10.373 92.354 -58.688 1.00 0.00 H new ATOM 0 HD3 LYS A 122 10.286 91.662 -60.296 1.00 0.00 H new ATOM 0 HE2 LYS A 122 11.194 93.615 -61.001 1.00 0.00 H new ATOM 0 HE3 LYS A 122 9.586 94.282 -60.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 11.517 95.462 -59.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 10.121 95.187 -58.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 11.486 94.198 -58.532 1.00 0.00 H new ATOM 1778 N ALA A 123 9.451 90.333 -57.280 1.00 0.00 N ATOM 1779 CA ALA A 123 10.392 89.231 -57.430 1.00 0.00 C ATOM 1780 C ALA A 123 11.759 89.593 -56.859 1.00 0.00 C ATOM 1781 O ALA A 123 12.476 88.734 -56.347 1.00 0.00 O ATOM 1782 CB ALA A 123 10.517 88.839 -58.895 1.00 0.00 C ATOM 0 H ALA A 123 9.839 91.159 -56.825 1.00 0.00 H new ATOM 0 HA ALA A 123 10.007 88.380 -56.869 1.00 0.00 H new ATOM 0 HB1 ALA A 123 11.223 88.015 -58.992 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.543 88.529 -59.273 1.00 0.00 H new ATOM 0 HB3 ALA A 123 10.874 89.693 -59.471 1.00 0.00 H new ATOM 1788 N ASP A 124 12.112 90.870 -56.951 1.00 0.00 N ATOM 1789 CA ASP A 124 13.394 91.347 -56.443 1.00 0.00 C ATOM 1790 C ASP A 124 13.360 92.855 -56.214 1.00 0.00 C ATOM 1791 O ASP A 124 12.353 93.511 -56.479 1.00 0.00 O ATOM 1792 CB ASP A 124 14.518 90.991 -57.418 1.00 0.00 C ATOM 1793 CG ASP A 124 15.540 90.054 -56.806 1.00 0.00 C ATOM 1794 OD1 ASP A 124 15.919 90.270 -55.636 1.00 0.00 O ATOM 1795 OD2 ASP A 124 15.961 89.102 -57.498 1.00 0.00 O1- ATOM 0 H ASP A 124 11.529 91.594 -57.372 1.00 0.00 H new ATOM 0 HA ASP A 124 13.584 90.857 -55.488 1.00 0.00 H new ATOM 0 HB2 ASP A 124 14.091 90.527 -58.307 1.00 0.00 H new ATOM 0 HB3 ASP A 124 15.016 91.905 -57.743 1.00 0.00 H new ATOM 1800 N ASP A 125 14.468 93.398 -55.720 1.00 0.00 N ATOM 1801 CA ASP A 125 14.565 94.829 -55.454 1.00 0.00 C ATOM 1802 C ASP A 125 16.020 95.247 -55.262 1.00 0.00 C ATOM 1803 O ASP A 125 16.696 95.632 -56.217 1.00 0.00 O ATOM 1804 CB ASP A 125 13.748 95.196 -54.216 1.00 0.00 C ATOM 1805 CG ASP A 125 14.359 94.656 -52.937 1.00 0.00 C ATOM 1806 OD1 ASP A 125 15.046 93.615 -53.003 1.00 0.00 O ATOM 1807 OD2 ASP A 125 14.148 95.272 -51.872 1.00 0.00 O1- ATOM 0 H ASP A 125 15.311 92.869 -55.496 1.00 0.00 H new ATOM 0 HA ASP A 125 14.162 95.362 -56.315 1.00 0.00 H new ATOM 0 HB2 ASP A 125 13.667 96.281 -54.146 1.00 0.00 H new ATOM 0 HB3 ASP A 125 12.736 94.807 -54.324 1.00 0.00 H new TER 1812 ASP A 125