USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 742 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 69 TYR OH : rot 180:sc= -0.117 USER MOD Set 1.2: A 73 HIS : no HE2:sc= 0.0561 K(o=-0.061,f=-2.4) USER MOD Set 2.1: A 53 ASN : amide:sc= 0.337 K(o=1.6,f=-2.3!) USER MOD Set 2.2: A 55 SER OG : rot 95:sc= 1.27 USER MOD Set 3.1: A 33 THR OG1 : rot 151:sc= 0.782 USER MOD Set 3.2: A 37 LYS NZ :NH3+ 168:sc= 0.84 (180deg=-0.0742) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 3:sc= 0.67 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -1.82 X(o=-1.8,f=-2.1!) USER MOD Single : A 17 HIS : no HD1:sc=-0.00236 X(o=-0.0024,f=-0.0069) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl -149:sc= -0.146 (180deg=-1.29) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0563 K(o=-0.056,f=-1.7!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 160:sc= -0.0135 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 56 GLN : amide:sc= -0.0683 X(o=-0.068,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -131:sc= 0.252 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 39:sc= 0.569 USER MOD Single : A 94 SER OG : rot -57:sc= 0.00645 USER MOD Single : A 95 SER OG : rot 180:sc= -0.31 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.143 2.587 -21.896 1.00 0.00 N ATOM 2 CA GLY A 1 10.029 1.734 -21.126 1.00 0.00 C ATOM 3 C GLY A 1 9.410 1.287 -19.817 1.00 0.00 C ATOM 4 O GLY A 1 9.859 1.684 -18.742 1.00 0.00 O ATOM 0 H1 GLY A 1 9.612 2.866 -22.781 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.268 2.070 -22.116 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.913 3.438 -21.344 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.290 0.857 -21.719 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.957 2.269 -20.922 1.00 0.00 H new ATOM 8 N SER A 2 8.374 0.458 -19.906 1.00 0.00 N ATOM 9 CA SER A 2 7.688 -0.040 -18.719 1.00 0.00 C ATOM 10 C SER A 2 7.153 1.114 -17.877 1.00 0.00 C ATOM 11 O SER A 2 7.254 1.102 -16.651 1.00 0.00 O ATOM 12 CB SER A 2 8.635 -0.901 -17.881 1.00 0.00 C ATOM 13 OG SER A 2 8.595 -2.255 -18.297 1.00 0.00 O ATOM 0 H SER A 2 7.991 0.117 -20.788 1.00 0.00 H new ATOM 0 HA SER A 2 6.846 -0.650 -19.045 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.652 -0.520 -17.969 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.359 -0.832 -16.829 1.00 0.00 H new ATOM 0 HG SER A 2 9.210 -2.784 -17.747 1.00 0.00 H new ATOM 19 N SER A 3 6.582 2.112 -18.546 1.00 0.00 N ATOM 20 CA SER A 3 6.034 3.276 -17.861 1.00 0.00 C ATOM 21 C SER A 3 4.796 3.798 -18.584 1.00 0.00 C ATOM 22 O SER A 3 4.844 4.115 -19.771 1.00 0.00 O ATOM 23 CB SER A 3 7.087 4.381 -17.766 1.00 0.00 C ATOM 24 OG SER A 3 7.201 5.084 -18.991 1.00 0.00 O ATOM 0 H SER A 3 6.487 2.137 -19.561 1.00 0.00 H new ATOM 0 HA SER A 3 5.745 2.972 -16.855 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.820 5.075 -16.969 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.051 3.947 -17.501 1.00 0.00 H new ATOM 0 HG SER A 3 6.538 4.743 -19.627 1.00 0.00 H new ATOM 30 N GLY A 4 3.686 3.885 -17.857 1.00 0.00 N ATOM 31 CA GLY A 4 2.450 4.369 -18.444 1.00 0.00 C ATOM 32 C GLY A 4 2.113 5.780 -18.004 1.00 0.00 C ATOM 33 O GLY A 4 2.174 6.098 -16.817 1.00 0.00 O ATOM 0 H GLY A 4 3.621 3.629 -16.872 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.532 4.340 -19.531 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.634 3.701 -18.168 1.00 0.00 H new ATOM 37 N SER A 5 1.758 6.628 -18.964 1.00 0.00 N ATOM 38 CA SER A 5 1.415 8.015 -18.670 1.00 0.00 C ATOM 39 C SER A 5 0.504 8.102 -17.449 1.00 0.00 C ATOM 40 O SER A 5 0.705 8.939 -16.570 1.00 0.00 O ATOM 41 CB SER A 5 0.732 8.660 -19.877 1.00 0.00 C ATOM 42 OG SER A 5 0.848 10.072 -19.834 1.00 0.00 O ATOM 0 H SER A 5 1.700 6.379 -19.952 1.00 0.00 H new ATOM 0 HA SER A 5 2.337 8.554 -18.453 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.180 8.283 -20.797 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.321 8.379 -19.896 1.00 0.00 H new ATOM 0 HG SER A 5 0.405 10.461 -20.617 1.00 0.00 H new ATOM 48 N SER A 6 -0.499 7.231 -17.404 1.00 0.00 N ATOM 49 CA SER A 6 -1.444 7.211 -16.294 1.00 0.00 C ATOM 50 C SER A 6 -1.007 6.213 -15.226 1.00 0.00 C ATOM 51 O SER A 6 -0.742 5.048 -15.520 1.00 0.00 O ATOM 52 CB SER A 6 -2.845 6.858 -16.796 1.00 0.00 C ATOM 53 OG SER A 6 -3.517 8.006 -17.284 1.00 0.00 O ATOM 0 H SER A 6 -0.678 6.530 -18.123 1.00 0.00 H new ATOM 0 HA SER A 6 -1.465 8.206 -15.849 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.774 6.111 -17.587 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.423 6.411 -15.987 1.00 0.00 H new ATOM 0 HG SER A 6 -4.409 7.753 -17.600 1.00 0.00 H new ATOM 59 N GLY A 7 -0.934 6.679 -13.983 1.00 0.00 N ATOM 60 CA GLY A 7 -0.529 5.816 -12.889 1.00 0.00 C ATOM 61 C GLY A 7 -0.972 6.344 -11.539 1.00 0.00 C ATOM 62 O GLY A 7 -1.795 7.255 -11.462 1.00 0.00 O ATOM 0 H GLY A 7 -1.148 7.639 -13.714 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.947 4.821 -13.041 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.556 5.710 -12.896 1.00 0.00 H new ATOM 66 N GLN A 8 -0.425 5.769 -10.472 1.00 0.00 N ATOM 67 CA GLN A 8 -0.771 6.187 -9.119 1.00 0.00 C ATOM 68 C GLN A 8 0.326 5.798 -8.132 1.00 0.00 C ATOM 69 O GLN A 8 1.092 4.867 -8.376 1.00 0.00 O ATOM 70 CB GLN A 8 -2.100 5.561 -8.694 1.00 0.00 C ATOM 71 CG GLN A 8 -2.032 4.054 -8.507 1.00 0.00 C ATOM 72 CD GLN A 8 -3.393 3.434 -8.261 1.00 0.00 C ATOM 73 OE1 GLN A 8 -4.187 3.945 -7.470 1.00 0.00 O ATOM 74 NE2 GLN A 8 -3.671 2.327 -8.939 1.00 0.00 N ATOM 0 H GLN A 8 0.259 5.013 -10.519 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.870 7.272 -9.115 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.426 6.020 -7.761 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.857 5.792 -9.444 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.586 3.602 -9.393 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.376 3.825 -7.667 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.983 1.938 -9.584 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.572 1.866 -8.815 1.00 0.00 H new ATOM 83 N ASN A 9 0.395 6.519 -7.018 1.00 0.00 N ATOM 84 CA ASN A 9 1.399 6.250 -5.995 1.00 0.00 C ATOM 85 C ASN A 9 0.793 5.474 -4.829 1.00 0.00 C ATOM 86 O ASN A 9 1.446 4.614 -4.236 1.00 0.00 O ATOM 87 CB ASN A 9 2.005 7.561 -5.489 1.00 0.00 C ATOM 88 CG ASN A 9 2.627 8.379 -6.604 1.00 0.00 C ATOM 89 OD1 ASN A 9 3.749 8.110 -7.034 1.00 0.00 O ATOM 90 ND2 ASN A 9 1.900 9.383 -7.077 1.00 0.00 N ATOM 0 H ASN A 9 -0.232 7.294 -6.801 1.00 0.00 H new ATOM 0 HA ASN A 9 2.185 5.643 -6.443 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.231 8.150 -4.998 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.763 7.341 -4.737 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.266 9.969 -7.827 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.975 9.569 -6.690 1.00 0.00 H new ATOM 97 N VAL A 10 -0.459 5.782 -4.507 1.00 0.00 N ATOM 98 CA VAL A 10 -1.154 5.112 -3.414 1.00 0.00 C ATOM 99 C VAL A 10 -1.872 3.860 -3.905 1.00 0.00 C ATOM 100 O VAL A 10 -2.769 3.934 -4.746 1.00 0.00 O ATOM 101 CB VAL A 10 -2.177 6.047 -2.743 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.277 6.427 -3.723 1.00 0.00 C ATOM 103 CG2 VAL A 10 -2.762 5.393 -1.501 1.00 0.00 C ATOM 0 H VAL A 10 -1.013 6.491 -4.987 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.396 4.830 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.664 6.959 -2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.990 7.088 -3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.840 6.939 -4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.790 5.527 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.483 6.068 -1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.261 4.465 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.962 5.177 -0.793 1.00 0.00 H new ATOM 113 N LEU A 11 -1.472 2.709 -3.375 1.00 0.00 N ATOM 114 CA LEU A 11 -2.077 1.439 -3.758 1.00 0.00 C ATOM 115 C LEU A 11 -3.200 1.059 -2.798 1.00 0.00 C ATOM 116 O LEU A 11 -2.955 0.742 -1.634 1.00 0.00 O ATOM 117 CB LEU A 11 -1.019 0.334 -3.785 1.00 0.00 C ATOM 118 CG LEU A 11 -1.539 -1.097 -3.654 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.208 -1.543 -4.945 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.407 -2.044 -3.284 1.00 0.00 C ATOM 0 H LEU A 11 -0.731 2.630 -2.679 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.500 1.553 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.464 0.413 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.311 0.517 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.282 -1.121 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.572 -2.564 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.046 -0.882 -5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.487 -1.503 -5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.796 -3.058 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.359 -2.016 -4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.028 -1.737 -2.333 1.00 0.00 H new ATOM 132 N ASP A 12 -4.432 1.092 -3.294 1.00 0.00 N ATOM 133 CA ASP A 12 -5.593 0.748 -2.481 1.00 0.00 C ATOM 134 C ASP A 12 -5.733 -0.765 -2.346 1.00 0.00 C ATOM 135 O ASP A 12 -6.140 -1.448 -3.287 1.00 0.00 O ATOM 136 CB ASP A 12 -6.864 1.337 -3.095 1.00 0.00 C ATOM 137 CG ASP A 12 -8.092 0.498 -2.801 1.00 0.00 C ATOM 138 OD1 ASP A 12 -8.577 0.539 -1.651 1.00 0.00 O ATOM 139 OD2 ASP A 12 -8.567 -0.202 -3.720 1.00 0.00 O ATOM 0 H ASP A 12 -4.653 1.353 -4.255 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.448 1.172 -1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.016 2.345 -2.710 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.736 1.423 -4.174 1.00 0.00 H new ATOM 144 N LEU A 13 -5.392 -1.283 -1.171 1.00 0.00 N ATOM 145 CA LEU A 13 -5.478 -2.716 -0.912 1.00 0.00 C ATOM 146 C LEU A 13 -6.897 -3.114 -0.521 1.00 0.00 C ATOM 147 O LEU A 13 -7.305 -4.261 -0.706 1.00 0.00 O ATOM 148 CB LEU A 13 -4.501 -3.114 0.195 1.00 0.00 C ATOM 149 CG LEU A 13 -3.020 -3.115 -0.186 1.00 0.00 C ATOM 150 CD1 LEU A 13 -2.173 -3.631 0.967 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.791 -3.953 -1.435 1.00 0.00 C ATOM 0 H LEU A 13 -5.053 -0.732 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.212 -3.242 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.639 -2.434 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.766 -4.112 0.545 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.719 -2.090 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.122 -3.625 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.314 -2.990 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.475 -4.649 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.732 -3.942 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.109 -4.979 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.368 -3.539 -2.262 1.00 0.00 H new ATOM 163 N HIS A 14 -7.647 -2.158 0.020 1.00 0.00 N ATOM 164 CA HIS A 14 -9.023 -2.408 0.435 1.00 0.00 C ATOM 165 C HIS A 14 -9.835 -3.009 -0.709 1.00 0.00 C ATOM 166 O HIS A 14 -9.954 -2.413 -1.778 1.00 0.00 O ATOM 167 CB HIS A 14 -9.677 -1.112 0.915 1.00 0.00 C ATOM 168 CG HIS A 14 -11.129 -1.262 1.247 1.00 0.00 C ATOM 169 ND1 HIS A 14 -12.104 -1.456 0.291 1.00 0.00 N ATOM 170 CD2 HIS A 14 -11.771 -1.246 2.439 1.00 0.00 C ATOM 171 CE1 HIS A 14 -13.283 -1.552 0.880 1.00 0.00 C ATOM 172 NE2 HIS A 14 -13.108 -1.428 2.183 1.00 0.00 N ATOM 0 H HIS A 14 -7.325 -1.204 0.181 1.00 0.00 H new ATOM 0 HA HIS A 14 -9.004 -3.122 1.258 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.146 -0.752 1.796 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.566 -0.351 0.143 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.317 -1.115 3.410 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -14.228 -1.706 0.381 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.846 -1.462 2.886 1.00 0.00 H new ATOM 180 N GLY A 15 -10.391 -4.194 -0.475 1.00 0.00 N ATOM 181 CA GLY A 15 -11.183 -4.855 -1.495 1.00 0.00 C ATOM 182 C GLY A 15 -10.607 -6.199 -1.896 1.00 0.00 C ATOM 183 O GLY A 15 -11.349 -7.143 -2.171 1.00 0.00 O ATOM 0 H GLY A 15 -10.307 -4.707 0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.200 -4.994 -1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.246 -4.213 -2.374 1.00 0.00 H new ATOM 187 N LEU A 16 -9.282 -6.286 -1.931 1.00 0.00 N ATOM 188 CA LEU A 16 -8.607 -7.524 -2.303 1.00 0.00 C ATOM 189 C LEU A 16 -8.470 -8.452 -1.101 1.00 0.00 C ATOM 190 O LEU A 16 -8.840 -8.095 0.018 1.00 0.00 O ATOM 191 CB LEU A 16 -7.226 -7.219 -2.886 1.00 0.00 C ATOM 192 CG LEU A 16 -7.193 -6.820 -4.362 1.00 0.00 C ATOM 193 CD1 LEU A 16 -5.975 -5.958 -4.655 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.200 -8.056 -5.249 1.00 0.00 C ATOM 0 H LEU A 16 -8.654 -5.514 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.211 -8.026 -3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.777 -6.415 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.596 -8.098 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.087 -6.236 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.969 -5.684 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.013 -5.055 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.069 -6.516 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.176 -7.753 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.325 -8.667 -5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.104 -8.635 -5.059 1.00 0.00 H new ATOM 206 N HIS A 17 -7.934 -9.645 -1.339 1.00 0.00 N ATOM 207 CA HIS A 17 -7.745 -10.625 -0.275 1.00 0.00 C ATOM 208 C HIS A 17 -6.355 -10.498 0.340 1.00 0.00 C ATOM 209 O HIS A 17 -5.371 -10.270 -0.364 1.00 0.00 O ATOM 210 CB HIS A 17 -7.950 -12.041 -0.814 1.00 0.00 C ATOM 211 CG HIS A 17 -8.261 -13.048 0.250 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.489 -14.168 0.475 1.00 0.00 N ATOM 213 CD2 HIS A 17 -9.267 -13.098 1.155 1.00 0.00 C ATOM 214 CE1 HIS A 17 -8.008 -14.865 1.471 1.00 0.00 C ATOM 215 NE2 HIS A 17 -9.087 -14.236 1.901 1.00 0.00 N ATOM 0 H HIS A 17 -7.623 -9.956 -2.259 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.485 -10.429 0.501 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.762 -12.030 -1.541 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.051 -12.352 -1.346 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -10.063 -12.377 1.269 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.617 -15.791 1.866 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.689 -14.546 2.664 1.00 0.00 H new ATOM 223 N VAL A 18 -6.280 -10.646 1.659 1.00 0.00 N ATOM 224 CA VAL A 18 -5.011 -10.548 2.369 1.00 0.00 C ATOM 225 C VAL A 18 -3.865 -11.090 1.523 1.00 0.00 C ATOM 226 O VAL A 18 -2.929 -10.364 1.188 1.00 0.00 O ATOM 227 CB VAL A 18 -5.054 -11.313 3.705 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.649 -11.513 4.253 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.928 -10.578 4.711 1.00 0.00 C ATOM 0 H VAL A 18 -7.084 -10.834 2.257 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.842 -9.490 2.570 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.491 -12.296 3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.700 -12.055 5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.058 -12.085 3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.181 -10.542 4.417 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.947 -11.132 5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.522 -9.582 4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.941 -10.493 4.319 1.00 0.00 H new ATOM 239 N ASP A 19 -3.945 -12.371 1.180 1.00 0.00 N ATOM 240 CA ASP A 19 -2.915 -13.011 0.370 1.00 0.00 C ATOM 241 C ASP A 19 -2.545 -12.141 -0.827 1.00 0.00 C ATOM 242 O ASP A 19 -1.369 -11.983 -1.151 1.00 0.00 O ATOM 243 CB ASP A 19 -3.392 -14.384 -0.109 1.00 0.00 C ATOM 244 CG ASP A 19 -3.076 -15.485 0.884 1.00 0.00 C ATOM 245 OD1 ASP A 19 -1.892 -15.632 1.250 1.00 0.00 O ATOM 246 OD2 ASP A 19 -4.014 -16.201 1.295 1.00 0.00 O ATOM 0 H ASP A 19 -4.712 -12.986 1.450 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.028 -13.139 0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.468 -14.352 -0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.923 -14.615 -1.065 1.00 0.00 H new ATOM 251 N GLU A 20 -3.559 -11.582 -1.481 1.00 0.00 N ATOM 252 CA GLU A 20 -3.339 -10.729 -2.643 1.00 0.00 C ATOM 253 C GLU A 20 -2.689 -9.410 -2.236 1.00 0.00 C ATOM 254 O GLU A 20 -1.546 -9.132 -2.599 1.00 0.00 O ATOM 255 CB GLU A 20 -4.663 -10.458 -3.361 1.00 0.00 C ATOM 256 CG GLU A 20 -4.991 -11.476 -4.440 1.00 0.00 C ATOM 257 CD GLU A 20 -4.370 -11.128 -5.779 1.00 0.00 C ATOM 258 OE1 GLU A 20 -3.314 -10.461 -5.788 1.00 0.00 O ATOM 259 OE2 GLU A 20 -4.940 -11.522 -6.818 1.00 0.00 O ATOM 0 H GLU A 20 -4.539 -11.704 -1.226 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.665 -11.251 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.469 -10.447 -2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.627 -9.465 -3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.640 -12.459 -4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.073 -11.545 -4.552 1.00 0.00 H new ATOM 266 N ALA A 21 -3.425 -8.603 -1.480 1.00 0.00 N ATOM 267 CA ALA A 21 -2.920 -7.314 -1.023 1.00 0.00 C ATOM 268 C ALA A 21 -1.428 -7.387 -0.715 1.00 0.00 C ATOM 269 O ALA A 21 -0.683 -6.443 -0.979 1.00 0.00 O ATOM 270 CB ALA A 21 -3.692 -6.851 0.204 1.00 0.00 C ATOM 0 H ALA A 21 -4.373 -8.819 -1.171 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.064 -6.590 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.305 -5.887 0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.748 -6.751 -0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.577 -7.582 1.004 1.00 0.00 H new ATOM 276 N LEU A 22 -0.999 -8.512 -0.154 1.00 0.00 N ATOM 277 CA LEU A 22 0.405 -8.708 0.190 1.00 0.00 C ATOM 278 C LEU A 22 1.278 -8.709 -1.060 1.00 0.00 C ATOM 279 O LEU A 22 2.204 -7.908 -1.183 1.00 0.00 O ATOM 280 CB LEU A 22 0.585 -10.022 0.953 1.00 0.00 C ATOM 281 CG LEU A 22 0.416 -9.945 2.471 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.511 -11.332 3.089 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.457 -9.016 3.077 1.00 0.00 C ATOM 0 H LEU A 22 -1.603 -9.302 0.072 1.00 0.00 H new ATOM 0 HA LEU A 22 0.716 -7.880 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.131 -10.746 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.580 -10.411 0.738 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.572 -9.540 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.389 -11.258 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.273 -11.968 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.485 -11.765 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.322 -8.973 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.455 -9.391 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.341 -8.017 2.657 1.00 0.00 H new ATOM 295 N GLU A 23 0.974 -9.612 -1.987 1.00 0.00 N ATOM 296 CA GLU A 23 1.730 -9.716 -3.229 1.00 0.00 C ATOM 297 C GLU A 23 1.856 -8.353 -3.905 1.00 0.00 C ATOM 298 O GLU A 23 2.935 -7.970 -4.358 1.00 0.00 O ATOM 299 CB GLU A 23 1.059 -10.708 -4.180 1.00 0.00 C ATOM 300 CG GLU A 23 0.075 -10.061 -5.141 1.00 0.00 C ATOM 301 CD GLU A 23 -0.459 -11.035 -6.173 1.00 0.00 C ATOM 302 OE1 GLU A 23 -0.592 -12.233 -5.845 1.00 0.00 O ATOM 303 OE2 GLU A 23 -0.744 -10.600 -7.308 1.00 0.00 O ATOM 0 H GLU A 23 0.210 -10.282 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 23 2.730 -10.076 -2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.828 -11.225 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.537 -11.464 -3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.758 -9.644 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.563 -9.230 -5.650 1.00 0.00 H new ATOM 310 N HIS A 24 0.746 -7.626 -3.968 1.00 0.00 N ATOM 311 CA HIS A 24 0.731 -6.305 -4.588 1.00 0.00 C ATOM 312 C HIS A 24 1.681 -5.355 -3.866 1.00 0.00 C ATOM 313 O HIS A 24 2.374 -4.556 -4.496 1.00 0.00 O ATOM 314 CB HIS A 24 -0.686 -5.731 -4.581 1.00 0.00 C ATOM 315 CG HIS A 24 -1.498 -6.124 -5.777 1.00 0.00 C ATOM 316 ND1 HIS A 24 -1.370 -5.514 -7.006 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.451 -7.073 -5.926 1.00 0.00 C ATOM 318 CE1 HIS A 24 -2.211 -6.069 -7.861 1.00 0.00 C ATOM 319 NE2 HIS A 24 -2.879 -7.018 -7.230 1.00 0.00 N ATOM 0 H HIS A 24 -0.155 -7.928 -3.598 1.00 0.00 H new ATOM 0 HA HIS A 24 1.067 -6.411 -5.620 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.199 -6.063 -3.679 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.628 -4.644 -4.533 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -2.808 -7.748 -5.162 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.332 -5.794 -8.898 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.596 -7.613 -7.644 1.00 0.00 H new ATOM 327 N LEU A 25 1.708 -5.448 -2.541 1.00 0.00 N ATOM 328 CA LEU A 25 2.573 -4.596 -1.732 1.00 0.00 C ATOM 329 C LEU A 25 4.039 -4.801 -2.101 1.00 0.00 C ATOM 330 O LEU A 25 4.854 -3.888 -1.976 1.00 0.00 O ATOM 331 CB LEU A 25 2.364 -4.888 -0.245 1.00 0.00 C ATOM 332 CG LEU A 25 3.275 -4.132 0.722 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.641 -2.811 1.131 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.575 -4.983 1.948 1.00 0.00 C ATOM 0 H LEU A 25 1.141 -6.104 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 25 2.309 -3.558 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.329 -4.658 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.502 -5.957 -0.082 1.00 0.00 H new ATOM 0 HG LEU A 25 4.215 -3.919 0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.304 -2.287 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.478 -2.196 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.686 -3.002 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.225 -4.429 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.643 -5.228 2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.072 -5.903 1.640 1.00 0.00 H new ATOM 346 N MET A 26 4.365 -6.006 -2.557 1.00 0.00 N ATOM 347 CA MET A 26 5.733 -6.330 -2.947 1.00 0.00 C ATOM 348 C MET A 26 5.983 -5.963 -4.406 1.00 0.00 C ATOM 349 O MET A 26 7.101 -5.617 -4.786 1.00 0.00 O ATOM 350 CB MET A 26 6.009 -7.819 -2.729 1.00 0.00 C ATOM 351 CG MET A 26 5.771 -8.278 -1.299 1.00 0.00 C ATOM 352 SD MET A 26 6.309 -9.976 -1.016 1.00 0.00 S ATOM 353 CE MET A 26 4.733 -10.824 -0.948 1.00 0.00 C ATOM 0 H MET A 26 3.702 -6.773 -2.666 1.00 0.00 H new ATOM 0 HA MET A 26 6.410 -5.747 -2.323 1.00 0.00 H new ATOM 0 HB2 MET A 26 5.375 -8.400 -3.399 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.042 -8.033 -3.003 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.301 -7.614 -0.616 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.709 -8.194 -1.066 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.809 -11.680 -0.277 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.968 -10.141 -0.579 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.462 -11.168 -1.946 1.00 0.00 H new ATOM 363 N ARG A 27 4.935 -6.043 -5.220 1.00 0.00 N ATOM 364 CA ARG A 27 5.042 -5.720 -6.638 1.00 0.00 C ATOM 365 C ARG A 27 5.095 -4.210 -6.849 1.00 0.00 C ATOM 366 O ARG A 27 5.767 -3.723 -7.759 1.00 0.00 O ATOM 367 CB ARG A 27 3.861 -6.313 -7.408 1.00 0.00 C ATOM 368 CG ARG A 27 4.023 -7.790 -7.730 1.00 0.00 C ATOM 369 CD ARG A 27 4.982 -8.005 -8.890 1.00 0.00 C ATOM 370 NE ARG A 27 5.358 -9.409 -9.035 1.00 0.00 N ATOM 371 CZ ARG A 27 4.591 -10.318 -9.627 1.00 0.00 C ATOM 372 NH1 ARG A 27 3.413 -9.972 -10.127 1.00 0.00 N ATOM 373 NH2 ARG A 27 5.003 -11.576 -9.721 1.00 0.00 N ATOM 0 H ARG A 27 4.002 -6.329 -4.922 1.00 0.00 H new ATOM 0 HA ARG A 27 5.968 -6.154 -7.015 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.951 -6.175 -6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.730 -5.759 -8.338 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.391 -8.317 -6.850 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.051 -8.219 -7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.519 -7.656 -9.813 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.878 -7.404 -8.736 1.00 0.00 H new ATOM 0 HE ARG A 27 6.259 -9.708 -8.661 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.093 -9.006 -10.058 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.826 -10.672 -10.581 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.909 -11.846 -9.339 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.413 -12.273 -10.176 1.00 0.00 H new ATOM 387 N VAL A 28 4.382 -3.474 -6.004 1.00 0.00 N ATOM 388 CA VAL A 28 4.348 -2.019 -6.097 1.00 0.00 C ATOM 389 C VAL A 28 5.570 -1.397 -5.431 1.00 0.00 C ATOM 390 O VAL A 28 6.030 -0.327 -5.831 1.00 0.00 O ATOM 391 CB VAL A 28 3.074 -1.445 -5.448 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.832 -1.985 -6.140 1.00 0.00 C ATOM 393 CG2 VAL A 28 3.046 -1.760 -3.960 1.00 0.00 C ATOM 0 H VAL A 28 3.819 -3.861 -5.246 1.00 0.00 H new ATOM 0 HA VAL A 28 4.350 -1.769 -7.158 1.00 0.00 H new ATOM 0 HB VAL A 28 3.083 -0.361 -5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.942 -1.568 -5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.850 -1.703 -7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.812 -3.072 -6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.139 -1.347 -3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.060 -2.840 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.918 -1.318 -3.478 1.00 0.00 H new ATOM 403 N LEU A 29 6.091 -2.074 -4.414 1.00 0.00 N ATOM 404 CA LEU A 29 7.262 -1.588 -3.692 1.00 0.00 C ATOM 405 C LEU A 29 8.461 -1.454 -4.625 1.00 0.00 C ATOM 406 O LEU A 29 9.339 -0.621 -4.405 1.00 0.00 O ATOM 407 CB LEU A 29 7.602 -2.533 -2.538 1.00 0.00 C ATOM 408 CG LEU A 29 6.956 -2.208 -1.191 1.00 0.00 C ATOM 409 CD1 LEU A 29 7.149 -3.358 -0.215 1.00 0.00 C ATOM 410 CD2 LEU A 29 7.531 -0.920 -0.621 1.00 0.00 C ATOM 0 H LEU A 29 5.722 -2.961 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 29 7.027 -0.603 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.309 -3.543 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.684 -2.539 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 29 5.886 -2.067 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.683 -3.109 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.689 -4.259 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.214 -3.531 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.060 -0.704 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.606 -1.033 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.340 -0.099 -1.312 1.00 0.00 H new ATOM 422 N GLU A 30 8.488 -2.278 -5.668 1.00 0.00 N ATOM 423 CA GLU A 30 9.578 -2.249 -6.635 1.00 0.00 C ATOM 424 C GLU A 30 9.240 -1.335 -7.810 1.00 0.00 C ATOM 425 O GLU A 30 10.047 -0.497 -8.211 1.00 0.00 O ATOM 426 CB GLU A 30 9.876 -3.661 -7.143 1.00 0.00 C ATOM 427 CG GLU A 30 8.754 -4.259 -7.975 1.00 0.00 C ATOM 428 CD GLU A 30 9.065 -5.665 -8.450 1.00 0.00 C ATOM 429 OE1 GLU A 30 10.249 -5.949 -8.725 1.00 0.00 O ATOM 430 OE2 GLU A 30 8.124 -6.480 -8.548 1.00 0.00 O ATOM 0 H GLU A 30 7.768 -2.973 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 30 10.463 -1.856 -6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.787 -3.638 -7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.070 -4.311 -6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.837 -4.273 -7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.567 -3.621 -8.839 1.00 0.00 H new ATOM 437 N LYS A 31 8.041 -1.504 -8.357 1.00 0.00 N ATOM 438 CA LYS A 31 7.594 -0.696 -9.485 1.00 0.00 C ATOM 439 C LYS A 31 7.482 0.774 -9.091 1.00 0.00 C ATOM 440 O LYS A 31 8.038 1.649 -9.753 1.00 0.00 O ATOM 441 CB LYS A 31 6.244 -1.202 -9.997 1.00 0.00 C ATOM 442 CG LYS A 31 6.033 -0.973 -11.484 1.00 0.00 C ATOM 443 CD LYS A 31 5.525 0.431 -11.766 1.00 0.00 C ATOM 444 CE LYS A 31 4.063 0.583 -11.374 1.00 0.00 C ATOM 445 NZ LYS A 31 3.508 1.897 -11.803 1.00 0.00 N ATOM 0 H LYS A 31 7.361 -2.194 -8.037 1.00 0.00 H new ATOM 0 HA LYS A 31 8.334 -0.785 -10.280 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.162 -2.268 -9.787 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.446 -0.706 -9.445 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.971 -1.135 -12.015 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.320 -1.703 -11.868 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.127 1.154 -11.217 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.644 0.656 -12.826 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.481 -0.221 -11.824 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.964 0.482 -10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.510 1.962 -11.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.047 2.665 -11.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.579 1.983 -12.837 1.00 0.00 H new ATOM 459 N LYS A 32 6.760 1.037 -8.006 1.00 0.00 N ATOM 460 CA LYS A 32 6.577 2.400 -7.521 1.00 0.00 C ATOM 461 C LYS A 32 7.922 3.090 -7.317 1.00 0.00 C ATOM 462 O LYS A 32 8.177 4.155 -7.880 1.00 0.00 O ATOM 463 CB LYS A 32 5.790 2.394 -6.209 1.00 0.00 C ATOM 464 CG LYS A 32 4.397 1.802 -6.337 1.00 0.00 C ATOM 465 CD LYS A 32 3.402 2.825 -6.858 1.00 0.00 C ATOM 466 CE LYS A 32 1.973 2.314 -6.755 1.00 0.00 C ATOM 467 NZ LYS A 32 1.619 1.421 -7.892 1.00 0.00 N ATOM 0 H LYS A 32 6.292 0.324 -7.446 1.00 0.00 H new ATOM 0 HA LYS A 32 6.015 2.955 -8.272 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.349 1.829 -5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.709 3.416 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.425 0.945 -7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.067 1.434 -5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.500 3.751 -6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.631 3.061 -7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.847 1.774 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.286 3.160 -6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.638 1.094 -7.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.714 1.943 -8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.258 0.600 -7.901 1.00 0.00 H new ATOM 481 N THR A 33 8.781 2.476 -6.509 1.00 0.00 N ATOM 482 CA THR A 33 10.099 3.031 -6.231 1.00 0.00 C ATOM 483 C THR A 33 10.949 3.089 -7.495 1.00 0.00 C ATOM 484 O THR A 33 11.741 4.013 -7.679 1.00 0.00 O ATOM 485 CB THR A 33 10.843 2.205 -5.164 1.00 0.00 C ATOM 486 OG1 THR A 33 12.056 2.867 -4.790 1.00 0.00 O ATOM 487 CG2 THR A 33 11.159 0.810 -5.682 1.00 0.00 C ATOM 0 H THR A 33 8.587 1.594 -6.036 1.00 0.00 H new ATOM 0 HA THR A 33 9.943 4.042 -5.854 1.00 0.00 H new ATOM 0 HB THR A 33 10.196 2.113 -4.292 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.279 2.642 -3.863 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.684 0.246 -4.911 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.231 0.298 -5.938 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.788 0.885 -6.569 1.00 0.00 H new ATOM 495 N GLU A 34 10.778 2.097 -8.364 1.00 0.00 N ATOM 496 CA GLU A 34 11.531 2.037 -9.611 1.00 0.00 C ATOM 497 C GLU A 34 11.433 3.358 -10.370 1.00 0.00 C ATOM 498 O GLU A 34 12.427 4.064 -10.537 1.00 0.00 O ATOM 499 CB GLU A 34 11.017 0.894 -10.488 1.00 0.00 C ATOM 500 CG GLU A 34 11.733 -0.425 -10.250 1.00 0.00 C ATOM 501 CD GLU A 34 10.875 -1.626 -10.597 1.00 0.00 C ATOM 502 OE1 GLU A 34 10.012 -1.499 -11.491 1.00 0.00 O ATOM 503 OE2 GLU A 34 11.067 -2.692 -9.976 1.00 0.00 O ATOM 0 H GLU A 34 10.125 1.325 -8.227 1.00 0.00 H new ATOM 0 HA GLU A 34 12.577 1.855 -9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.951 0.757 -10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.127 1.174 -11.536 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.646 -0.451 -10.845 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.033 -0.488 -9.204 1.00 0.00 H new ATOM 510 N GLU A 35 10.228 3.683 -10.827 1.00 0.00 N ATOM 511 CA GLU A 35 10.000 4.918 -11.568 1.00 0.00 C ATOM 512 C GLU A 35 10.381 6.135 -10.730 1.00 0.00 C ATOM 513 O GLU A 35 10.775 7.172 -11.263 1.00 0.00 O ATOM 514 CB GLU A 35 8.535 5.019 -11.998 1.00 0.00 C ATOM 515 CG GLU A 35 8.126 3.969 -13.017 1.00 0.00 C ATOM 516 CD GLU A 35 9.040 3.943 -14.227 1.00 0.00 C ATOM 517 OE1 GLU A 35 9.182 4.994 -14.887 1.00 0.00 O ATOM 518 OE2 GLU A 35 9.614 2.871 -14.513 1.00 0.00 O ATOM 0 H GLU A 35 9.395 3.109 -10.697 1.00 0.00 H new ATOM 0 HA GLU A 35 10.631 4.899 -12.457 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.899 4.926 -11.117 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.356 6.009 -12.417 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.129 2.987 -12.543 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.104 4.163 -13.342 1.00 0.00 H new ATOM 525 N PHE A 36 10.259 6.000 -9.413 1.00 0.00 N ATOM 526 CA PHE A 36 10.588 7.088 -8.499 1.00 0.00 C ATOM 527 C PHE A 36 12.049 7.500 -8.648 1.00 0.00 C ATOM 528 O PHE A 36 12.390 8.678 -8.532 1.00 0.00 O ATOM 529 CB PHE A 36 10.309 6.670 -7.054 1.00 0.00 C ATOM 530 CG PHE A 36 11.247 7.291 -6.059 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.235 8.658 -5.835 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.142 6.507 -5.348 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.097 9.232 -4.919 1.00 0.00 C ATOM 534 CE2 PHE A 36 13.006 7.076 -4.432 1.00 0.00 C ATOM 535 CZ PHE A 36 12.984 8.440 -4.218 1.00 0.00 C ATOM 0 H PHE A 36 9.935 5.148 -8.955 1.00 0.00 H new ATOM 0 HA PHE A 36 9.960 7.943 -8.750 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.286 6.943 -6.796 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.378 5.585 -6.978 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.544 9.283 -6.382 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.164 5.440 -5.512 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.076 10.299 -4.752 1.00 0.00 H new ATOM 0 HE2 PHE A 36 13.698 6.454 -3.884 1.00 0.00 H new ATOM 0 HZ PHE A 36 13.660 8.886 -3.503 1.00 0.00 H new ATOM 545 N LYS A 37 12.910 6.521 -8.906 1.00 0.00 N ATOM 546 CA LYS A 37 14.336 6.780 -9.072 1.00 0.00 C ATOM 547 C LYS A 37 14.677 7.027 -10.538 1.00 0.00 C ATOM 548 O LYS A 37 15.441 7.936 -10.862 1.00 0.00 O ATOM 549 CB LYS A 37 15.154 5.601 -8.539 1.00 0.00 C ATOM 550 CG LYS A 37 14.968 5.355 -7.052 1.00 0.00 C ATOM 551 CD LYS A 37 15.353 3.936 -6.670 1.00 0.00 C ATOM 552 CE LYS A 37 15.640 3.818 -5.180 1.00 0.00 C ATOM 553 NZ LYS A 37 14.398 3.934 -4.366 1.00 0.00 N ATOM 0 H LYS A 37 12.645 5.541 -9.005 1.00 0.00 H new ATOM 0 HA LYS A 37 14.586 7.675 -8.503 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.876 4.700 -9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.210 5.782 -8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.575 6.062 -6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.928 5.537 -6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.548 3.254 -6.942 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.233 3.632 -7.236 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.119 2.860 -4.977 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.343 4.596 -4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.597 3.649 -3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.065 4.919 -4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.663 3.315 -4.764 1.00 0.00 H new ATOM 567 N GLN A 38 14.103 6.214 -11.420 1.00 0.00 N ATOM 568 CA GLN A 38 14.347 6.347 -12.851 1.00 0.00 C ATOM 569 C GLN A 38 13.960 7.738 -13.343 1.00 0.00 C ATOM 570 O GLN A 38 14.777 8.451 -13.923 1.00 0.00 O ATOM 571 CB GLN A 38 13.564 5.284 -13.624 1.00 0.00 C ATOM 572 CG GLN A 38 14.320 3.975 -13.793 1.00 0.00 C ATOM 573 CD GLN A 38 15.326 4.025 -14.926 1.00 0.00 C ATOM 574 OE1 GLN A 38 15.244 4.881 -15.807 1.00 0.00 O ATOM 575 NE2 GLN A 38 16.283 3.104 -14.909 1.00 0.00 N ATOM 0 H GLN A 38 13.467 5.457 -11.169 1.00 0.00 H new ATOM 0 HA GLN A 38 15.413 6.203 -13.027 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.625 5.088 -13.106 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.309 5.677 -14.608 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.837 3.735 -12.864 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.609 3.170 -13.979 1.00 0.00 H new ATOM 0 HE21 GLN A 38 16.313 2.413 -14.159 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.988 3.088 -15.646 1.00 0.00 H new ATOM 584 N ASN A 39 12.707 8.116 -13.107 1.00 0.00 N ATOM 585 CA ASN A 39 12.211 9.421 -13.527 1.00 0.00 C ATOM 586 C ASN A 39 12.291 10.427 -12.383 1.00 0.00 C ATOM 587 O ASN A 39 13.050 11.393 -12.444 1.00 0.00 O ATOM 588 CB ASN A 39 10.768 9.307 -14.021 1.00 0.00 C ATOM 589 CG ASN A 39 10.419 10.374 -15.041 1.00 0.00 C ATOM 590 OD1 ASN A 39 10.942 10.377 -16.155 1.00 0.00 O ATOM 591 ND2 ASN A 39 9.531 11.286 -14.662 1.00 0.00 N ATOM 0 H ASN A 39 12.018 7.537 -12.627 1.00 0.00 H new ATOM 0 HA ASN A 39 12.840 9.775 -14.344 1.00 0.00 H new ATOM 0 HB2 ASN A 39 10.615 8.322 -14.463 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.089 9.384 -13.172 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.257 12.029 -15.305 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.123 11.244 -13.728 1.00 0.00 H new ATOM 598 N GLY A 40 11.502 10.192 -11.339 1.00 0.00 N ATOM 599 CA GLY A 40 11.498 11.086 -10.196 1.00 0.00 C ATOM 600 C GLY A 40 10.118 11.247 -9.590 1.00 0.00 C ATOM 601 O GLY A 40 9.198 11.735 -10.246 1.00 0.00 O ATOM 0 H GLY A 40 10.866 9.398 -11.265 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.182 10.704 -9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.873 12.063 -10.501 1.00 0.00 H new ATOM 605 N GLY A 41 9.972 10.835 -8.335 1.00 0.00 N ATOM 606 CA GLY A 41 8.690 10.943 -7.663 1.00 0.00 C ATOM 607 C GLY A 41 8.834 11.113 -6.163 1.00 0.00 C ATOM 608 O GLY A 41 9.899 11.489 -5.673 1.00 0.00 O ATOM 0 H GLY A 41 10.718 10.428 -7.771 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.140 11.791 -8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.099 10.051 -7.869 1.00 0.00 H new ATOM 612 N LYS A 42 7.760 10.836 -5.432 1.00 0.00 N ATOM 613 CA LYS A 42 7.770 10.960 -3.980 1.00 0.00 C ATOM 614 C LYS A 42 8.563 9.824 -3.342 1.00 0.00 C ATOM 615 O LYS A 42 8.410 8.654 -3.693 1.00 0.00 O ATOM 616 CB LYS A 42 6.338 10.963 -3.438 1.00 0.00 C ATOM 617 CG LYS A 42 5.602 12.270 -3.673 1.00 0.00 C ATOM 618 CD LYS A 42 4.860 12.262 -4.999 1.00 0.00 C ATOM 619 CE LYS A 42 4.749 13.661 -5.585 1.00 0.00 C ATOM 620 NZ LYS A 42 3.582 14.402 -5.034 1.00 0.00 N ATOM 0 H LYS A 42 6.871 10.524 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 42 8.251 11.904 -3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.780 10.152 -3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.363 10.757 -2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.896 12.442 -2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.312 13.096 -3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.379 11.612 -5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.863 11.846 -4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.663 14.216 -5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.658 13.594 -6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.541 15.351 -5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.707 13.886 -5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.681 14.488 -4.002 1.00 0.00 H new ATOM 634 N PRO A 43 9.431 10.174 -2.381 1.00 0.00 N ATOM 635 CA PRO A 43 10.264 9.198 -1.673 1.00 0.00 C ATOM 636 C PRO A 43 9.448 8.304 -0.746 1.00 0.00 C ATOM 637 O PRO A 43 9.994 7.432 -0.070 1.00 0.00 O ATOM 638 CB PRO A 43 11.225 10.073 -0.863 1.00 0.00 C ATOM 639 CG PRO A 43 10.498 11.359 -0.674 1.00 0.00 C ATOM 640 CD PRO A 43 9.666 11.550 -1.911 1.00 0.00 C ATOM 0 HA PRO A 43 10.764 8.515 -2.359 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.469 9.612 0.094 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.165 10.224 -1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.871 11.325 0.217 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.196 12.186 -0.541 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.731 12.064 -1.691 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.189 12.146 -2.659 1.00 0.00 H new ATOM 648 N TYR A 44 8.139 8.525 -0.720 1.00 0.00 N ATOM 649 CA TYR A 44 7.248 7.740 0.126 1.00 0.00 C ATOM 650 C TYR A 44 6.141 7.093 -0.702 1.00 0.00 C ATOM 651 O TYR A 44 5.963 7.410 -1.878 1.00 0.00 O ATOM 652 CB TYR A 44 6.636 8.622 1.215 1.00 0.00 C ATOM 653 CG TYR A 44 5.675 9.661 0.684 1.00 0.00 C ATOM 654 CD1 TYR A 44 6.137 10.874 0.188 1.00 0.00 C ATOM 655 CD2 TYR A 44 4.305 9.430 0.678 1.00 0.00 C ATOM 656 CE1 TYR A 44 5.263 11.827 -0.298 1.00 0.00 C ATOM 657 CE2 TYR A 44 3.423 10.377 0.193 1.00 0.00 C ATOM 658 CZ TYR A 44 3.907 11.573 -0.293 1.00 0.00 C ATOM 659 OH TYR A 44 3.032 12.519 -0.777 1.00 0.00 O ATOM 0 H TYR A 44 7.671 9.241 -1.275 1.00 0.00 H new ATOM 0 HA TYR A 44 7.835 6.951 0.595 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.114 7.989 1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.437 9.124 1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.198 11.075 0.182 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.923 8.494 1.059 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.639 12.765 -0.679 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.361 10.181 0.195 1.00 0.00 H new ATOM 0 HH TYR A 44 2.114 12.184 -0.703 1.00 0.00 H new ATOM 669 N LEU A 45 5.400 6.183 -0.078 1.00 0.00 N ATOM 670 CA LEU A 45 4.309 5.491 -0.755 1.00 0.00 C ATOM 671 C LEU A 45 3.118 5.306 0.180 1.00 0.00 C ATOM 672 O LEU A 45 3.279 4.914 1.336 1.00 0.00 O ATOM 673 CB LEU A 45 4.784 4.131 -1.269 1.00 0.00 C ATOM 674 CG LEU A 45 3.852 3.423 -2.254 1.00 0.00 C ATOM 675 CD1 LEU A 45 4.112 3.904 -3.674 1.00 0.00 C ATOM 676 CD2 LEU A 45 4.024 1.914 -2.161 1.00 0.00 C ATOM 0 H LEU A 45 5.535 5.908 0.895 1.00 0.00 H new ATOM 0 HA LEU A 45 3.992 6.102 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.753 4.265 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.940 3.475 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 45 2.823 3.668 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.440 3.390 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.938 4.978 -3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.145 3.689 -3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.353 1.427 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.055 1.650 -2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.787 1.582 -1.150 1.00 0.00 H new ATOM 688 N SER A 46 1.923 5.588 -0.329 1.00 0.00 N ATOM 689 CA SER A 46 0.705 5.455 0.462 1.00 0.00 C ATOM 690 C SER A 46 0.051 4.097 0.226 1.00 0.00 C ATOM 691 O SER A 46 0.030 3.591 -0.896 1.00 0.00 O ATOM 692 CB SER A 46 -0.278 6.574 0.115 1.00 0.00 C ATOM 693 OG SER A 46 0.123 7.803 0.694 1.00 0.00 O ATOM 0 H SER A 46 1.772 5.910 -1.285 1.00 0.00 H new ATOM 0 HA SER A 46 0.974 5.532 1.515 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.343 6.683 -0.968 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.274 6.310 0.469 1.00 0.00 H new ATOM 0 HG SER A 46 -0.521 8.502 0.456 1.00 0.00 H new ATOM 699 N VAL A 47 -0.483 3.511 1.293 1.00 0.00 N ATOM 700 CA VAL A 47 -1.139 2.212 1.204 1.00 0.00 C ATOM 701 C VAL A 47 -2.439 2.197 2.001 1.00 0.00 C ATOM 702 O VAL A 47 -2.423 2.152 3.232 1.00 0.00 O ATOM 703 CB VAL A 47 -0.223 1.084 1.715 1.00 0.00 C ATOM 704 CG1 VAL A 47 -0.956 -0.249 1.696 1.00 0.00 C ATOM 705 CG2 VAL A 47 1.049 1.014 0.885 1.00 0.00 C ATOM 0 H VAL A 47 -0.474 3.916 2.229 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.360 2.041 0.150 1.00 0.00 H new ATOM 0 HB VAL A 47 0.055 1.304 2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.293 -1.034 2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.835 -0.190 2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.265 -0.480 0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.684 0.212 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.794 0.818 -0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.582 1.962 0.956 1.00 0.00 H new ATOM 715 N ILE A 48 -3.562 2.234 1.292 1.00 0.00 N ATOM 716 CA ILE A 48 -4.870 2.223 1.933 1.00 0.00 C ATOM 717 C ILE A 48 -5.391 0.799 2.096 1.00 0.00 C ATOM 718 O ILE A 48 -5.737 0.136 1.118 1.00 0.00 O ATOM 719 CB ILE A 48 -5.897 3.044 1.132 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.470 4.512 1.067 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.280 2.916 1.754 1.00 0.00 C ATOM 722 CD1 ILE A 48 -6.157 5.293 -0.031 1.00 0.00 C ATOM 0 H ILE A 48 -3.592 2.272 0.273 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.742 2.676 2.916 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.940 2.652 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.681 4.986 2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.392 4.562 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.995 3.502 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.584 1.869 1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.253 3.285 2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.806 6.325 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.926 4.843 -0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.235 5.274 0.129 1.00 0.00 H new ATOM 734 N THR A 49 -5.445 0.333 3.340 1.00 0.00 N ATOM 735 CA THR A 49 -5.924 -1.012 3.633 1.00 0.00 C ATOM 736 C THR A 49 -7.444 -1.044 3.738 1.00 0.00 C ATOM 737 O THR A 49 -8.089 -1.987 3.280 1.00 0.00 O ATOM 738 CB THR A 49 -5.319 -1.552 4.942 1.00 0.00 C ATOM 739 OG1 THR A 49 -5.797 -0.788 6.054 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.799 -1.497 4.899 1.00 0.00 C ATOM 0 H THR A 49 -5.163 0.868 4.161 1.00 0.00 H new ATOM 0 HA THR A 49 -5.606 -1.647 2.806 1.00 0.00 H new ATOM 0 HB THR A 49 -5.626 -2.592 5.057 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.684 -1.305 6.879 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.394 -1.884 5.834 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.436 -2.103 4.069 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.476 -0.465 4.763 1.00 0.00 H new ATOM 748 N GLY A 50 -8.013 -0.006 4.344 1.00 0.00 N ATOM 749 CA GLY A 50 -9.454 0.065 4.497 1.00 0.00 C ATOM 750 C GLY A 50 -9.877 1.080 5.540 1.00 0.00 C ATOM 751 O GLY A 50 -9.480 0.989 6.702 1.00 0.00 O ATOM 0 H GLY A 50 -7.501 0.787 4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.906 0.323 3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.836 -0.917 4.775 1.00 0.00 H new ATOM 755 N ARG A 51 -10.683 2.052 5.126 1.00 0.00 N ATOM 756 CA ARG A 51 -11.157 3.091 6.033 1.00 0.00 C ATOM 757 C ARG A 51 -12.504 2.709 6.640 1.00 0.00 C ATOM 758 O ARG A 51 -13.270 1.949 6.049 1.00 0.00 O ATOM 759 CB ARG A 51 -11.278 4.425 5.295 1.00 0.00 C ATOM 760 CG ARG A 51 -11.577 4.277 3.812 1.00 0.00 C ATOM 761 CD ARG A 51 -10.320 3.948 3.021 1.00 0.00 C ATOM 762 NE ARG A 51 -9.648 5.151 2.536 1.00 0.00 N ATOM 763 CZ ARG A 51 -10.054 5.843 1.478 1.00 0.00 C ATOM 764 NH1 ARG A 51 -11.123 5.454 0.797 1.00 0.00 N ATOM 765 NH2 ARG A 51 -9.389 6.927 1.098 1.00 0.00 N ATOM 0 H ARG A 51 -11.022 2.142 4.168 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.431 3.194 6.839 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.067 5.017 5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.349 4.983 5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.317 3.490 3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.015 5.201 3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.635 3.378 3.649 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.580 3.312 2.175 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.822 5.477 3.037 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.636 4.621 1.085 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.432 5.988 -0.015 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.566 7.229 1.619 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.701 7.458 0.285 1.00 0.00 H new ATOM 779 N GLY A 52 -12.785 3.242 7.825 1.00 0.00 N ATOM 780 CA GLY A 52 -14.039 2.945 8.493 1.00 0.00 C ATOM 781 C GLY A 52 -13.992 3.249 9.977 1.00 0.00 C ATOM 782 O GLY A 52 -12.940 3.596 10.513 1.00 0.00 O ATOM 0 H GLY A 52 -12.167 3.874 8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -14.839 3.524 8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.284 1.893 8.348 1.00 0.00 H new ATOM 786 N ASN A 53 -15.135 3.120 10.643 1.00 0.00 N ATOM 787 CA ASN A 53 -15.220 3.386 12.074 1.00 0.00 C ATOM 788 C ASN A 53 -15.129 2.090 12.874 1.00 0.00 C ATOM 789 O ASN A 53 -15.743 1.084 12.519 1.00 0.00 O ATOM 790 CB ASN A 53 -16.526 4.111 12.403 1.00 0.00 C ATOM 791 CG ASN A 53 -17.708 3.164 12.485 1.00 0.00 C ATOM 792 OD1 ASN A 53 -17.834 2.393 13.437 1.00 0.00 O ATOM 793 ND2 ASN A 53 -18.580 3.218 11.486 1.00 0.00 N ATOM 0 H ASN A 53 -16.015 2.833 10.214 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.380 4.023 12.350 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.418 4.636 13.352 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.721 4.866 11.642 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -19.395 2.605 11.487 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -18.435 3.873 10.717 1.00 0.00 H new ATOM 800 N HIS A 54 -14.358 2.122 13.957 1.00 0.00 N ATOM 801 CA HIS A 54 -14.187 0.951 14.809 1.00 0.00 C ATOM 802 C HIS A 54 -15.522 0.510 15.400 1.00 0.00 C ATOM 803 O HIS A 54 -16.089 1.191 16.255 1.00 0.00 O ATOM 804 CB HIS A 54 -13.193 1.251 15.931 1.00 0.00 C ATOM 805 CG HIS A 54 -11.763 1.230 15.486 1.00 0.00 C ATOM 806 ND1 HIS A 54 -10.873 0.244 15.858 1.00 0.00 N ATOM 807 CD2 HIS A 54 -11.070 2.080 14.694 1.00 0.00 C ATOM 808 CE1 HIS A 54 -9.694 0.490 15.316 1.00 0.00 C ATOM 809 NE2 HIS A 54 -9.787 1.599 14.604 1.00 0.00 N ATOM 0 H HIS A 54 -13.842 2.946 14.265 1.00 0.00 H new ATOM 0 HA HIS A 54 -13.796 0.140 14.195 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -13.419 2.230 16.353 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -13.327 0.521 16.729 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -11.454 2.971 14.220 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.806 -0.113 15.435 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -9.029 2.028 14.074 1.00 0.00 H new ATOM 817 N SER A 55 -16.020 -0.633 14.939 1.00 0.00 N ATOM 818 CA SER A 55 -17.291 -1.162 15.419 1.00 0.00 C ATOM 819 C SER A 55 -17.250 -2.685 15.500 1.00 0.00 C ATOM 820 O SER A 55 -16.346 -3.321 14.959 1.00 0.00 O ATOM 821 CB SER A 55 -18.432 -0.720 14.501 1.00 0.00 C ATOM 822 OG SER A 55 -18.968 0.524 14.917 1.00 0.00 O ATOM 0 H SER A 55 -15.562 -1.210 14.234 1.00 0.00 H new ATOM 0 HA SER A 55 -17.465 -0.766 16.420 1.00 0.00 H new ATOM 0 HB2 SER A 55 -18.068 -0.639 13.477 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.217 -1.476 14.501 1.00 0.00 H new ATOM 0 HG SER A 55 -18.544 1.248 14.411 1.00 0.00 H new ATOM 828 N GLN A 56 -18.235 -3.262 16.180 1.00 0.00 N ATOM 829 CA GLN A 56 -18.311 -4.711 16.332 1.00 0.00 C ATOM 830 C GLN A 56 -17.899 -5.416 15.044 1.00 0.00 C ATOM 831 O GLN A 56 -17.026 -6.283 15.051 1.00 0.00 O ATOM 832 CB GLN A 56 -19.729 -5.129 16.726 1.00 0.00 C ATOM 833 CG GLN A 56 -20.002 -5.023 18.217 1.00 0.00 C ATOM 834 CD GLN A 56 -21.290 -5.711 18.625 1.00 0.00 C ATOM 835 OE1 GLN A 56 -22.200 -5.081 19.166 1.00 0.00 O ATOM 836 NE2 GLN A 56 -21.374 -7.011 18.368 1.00 0.00 N ATOM 0 H GLN A 56 -18.991 -2.750 16.634 1.00 0.00 H new ATOM 0 HA GLN A 56 -17.620 -5.005 17.122 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -20.445 -4.507 16.189 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -19.898 -6.157 16.406 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -19.170 -5.462 18.767 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -20.051 -3.971 18.500 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -20.596 -7.493 17.918 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -22.217 -7.527 18.620 1.00 0.00 H new ATOM 845 N GLY A 57 -18.535 -5.038 13.939 1.00 0.00 N ATOM 846 CA GLY A 57 -18.221 -5.645 12.659 1.00 0.00 C ATOM 847 C GLY A 57 -17.212 -4.838 11.866 1.00 0.00 C ATOM 848 O GLY A 57 -17.367 -4.650 10.660 1.00 0.00 O ATOM 0 H GLY A 57 -19.262 -4.323 13.908 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -17.830 -6.649 12.823 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -19.136 -5.750 12.076 1.00 0.00 H new ATOM 852 N GLY A 58 -16.175 -4.357 12.546 1.00 0.00 N ATOM 853 CA GLY A 58 -15.154 -3.570 11.881 1.00 0.00 C ATOM 854 C GLY A 58 -13.756 -4.092 12.146 1.00 0.00 C ATOM 855 O GLY A 58 -13.085 -3.647 13.078 1.00 0.00 O ATOM 0 H GLY A 58 -16.024 -4.499 13.545 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.341 -3.570 10.807 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.222 -2.535 12.216 1.00 0.00 H new ATOM 859 N VAL A 59 -13.314 -5.040 11.325 1.00 0.00 N ATOM 860 CA VAL A 59 -11.987 -5.624 11.476 1.00 0.00 C ATOM 861 C VAL A 59 -11.265 -5.701 10.135 1.00 0.00 C ATOM 862 O VAL A 59 -11.895 -5.839 9.087 1.00 0.00 O ATOM 863 CB VAL A 59 -12.061 -7.035 12.088 1.00 0.00 C ATOM 864 CG1 VAL A 59 -10.677 -7.665 12.147 1.00 0.00 C ATOM 865 CG2 VAL A 59 -12.691 -6.983 13.471 1.00 0.00 C ATOM 0 H VAL A 59 -13.856 -5.420 10.549 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.429 -4.973 12.149 1.00 0.00 H new ATOM 0 HB VAL A 59 -12.690 -7.656 11.450 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.749 -8.662 12.582 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.267 -7.738 11.140 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.022 -7.047 12.761 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.735 -7.989 13.889 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -12.090 -6.346 14.121 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -13.700 -6.576 13.396 1.00 0.00 H new ATOM 875 N ALA A 60 -9.940 -5.610 10.176 1.00 0.00 N ATOM 876 CA ALA A 60 -9.132 -5.672 8.965 1.00 0.00 C ATOM 877 C ALA A 60 -8.024 -6.712 9.096 1.00 0.00 C ATOM 878 O ALA A 60 -7.224 -6.665 10.031 1.00 0.00 O ATOM 879 CB ALA A 60 -8.541 -4.305 8.654 1.00 0.00 C ATOM 0 H ALA A 60 -9.403 -5.493 11.035 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.780 -5.972 8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.940 -4.366 7.747 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.346 -3.585 8.508 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.913 -3.983 9.484 1.00 0.00 H new ATOM 885 N ARG A 61 -7.983 -7.649 8.155 1.00 0.00 N ATOM 886 CA ARG A 61 -6.975 -8.701 8.167 1.00 0.00 C ATOM 887 C ARG A 61 -5.800 -8.339 7.264 1.00 0.00 C ATOM 888 O ARG A 61 -4.776 -9.023 7.256 1.00 0.00 O ATOM 889 CB ARG A 61 -7.587 -10.029 7.718 1.00 0.00 C ATOM 890 CG ARG A 61 -8.781 -10.463 8.552 1.00 0.00 C ATOM 891 CD ARG A 61 -9.030 -11.958 8.433 1.00 0.00 C ATOM 892 NE ARG A 61 -9.689 -12.305 7.177 1.00 0.00 N ATOM 893 CZ ARG A 61 -10.291 -13.469 6.960 1.00 0.00 C ATOM 894 NH1 ARG A 61 -10.317 -14.393 7.910 1.00 0.00 N ATOM 895 NH2 ARG A 61 -10.869 -13.710 5.790 1.00 0.00 N ATOM 0 H ARG A 61 -8.637 -7.701 7.374 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.608 -8.805 9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.895 -9.943 6.676 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.823 -10.805 7.762 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.610 -10.204 9.597 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.669 -9.918 8.230 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.081 -12.490 8.504 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.645 -12.291 9.269 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.687 -11.616 6.425 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.874 -14.211 8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.780 -15.286 7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.851 -13.001 5.057 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.331 -14.604 5.624 1.00 0.00 H new ATOM 909 N ILE A 62 -5.955 -7.259 6.504 1.00 0.00 N ATOM 910 CA ILE A 62 -4.907 -6.806 5.598 1.00 0.00 C ATOM 911 C ILE A 62 -3.827 -6.034 6.348 1.00 0.00 C ATOM 912 O ILE A 62 -2.675 -6.463 6.415 1.00 0.00 O ATOM 913 CB ILE A 62 -5.477 -5.914 4.480 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.415 -6.722 3.580 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.349 -5.302 3.664 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.306 -5.863 2.710 1.00 0.00 C ATOM 0 H ILE A 62 -6.796 -6.682 6.498 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.468 -7.698 5.152 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.049 -5.106 4.937 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.820 -7.376 2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.038 -7.364 4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.768 -4.674 2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.717 -4.697 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.752 -6.096 3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.943 -6.502 2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.927 -5.228 3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.690 -5.239 2.062 1.00 0.00 H new ATOM 928 N LYS A 63 -4.208 -4.894 6.915 1.00 0.00 N ATOM 929 CA LYS A 63 -3.274 -4.062 7.664 1.00 0.00 C ATOM 930 C LYS A 63 -2.335 -4.921 8.505 1.00 0.00 C ATOM 931 O LYS A 63 -1.114 -4.768 8.467 1.00 0.00 O ATOM 932 CB LYS A 63 -4.036 -3.088 8.565 1.00 0.00 C ATOM 933 CG LYS A 63 -3.433 -1.695 8.603 1.00 0.00 C ATOM 934 CD LYS A 63 -4.132 -0.812 9.622 1.00 0.00 C ATOM 935 CE LYS A 63 -3.739 -1.182 11.044 1.00 0.00 C ATOM 936 NZ LYS A 63 -4.480 -0.375 12.052 1.00 0.00 N ATOM 0 H LYS A 63 -5.158 -4.525 6.870 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.677 -3.495 6.949 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.068 -3.019 8.220 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.065 -3.490 9.578 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.373 -1.763 8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.505 -1.239 7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.880 0.232 9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.212 -0.905 9.506 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.935 -2.241 11.211 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.667 -1.032 11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.184 -0.657 13.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.273 0.634 11.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.502 -0.537 11.944 1.00 0.00 H new ATOM 950 N PRO A 64 -2.915 -5.847 9.283 1.00 0.00 N ATOM 951 CA PRO A 64 -2.148 -6.749 10.146 1.00 0.00 C ATOM 952 C PRO A 64 -0.980 -7.400 9.413 1.00 0.00 C ATOM 953 O PRO A 64 0.181 -7.162 9.743 1.00 0.00 O ATOM 954 CB PRO A 64 -3.176 -7.806 10.558 1.00 0.00 C ATOM 955 CG PRO A 64 -4.492 -7.113 10.460 1.00 0.00 C ATOM 956 CD PRO A 64 -4.366 -6.085 9.378 1.00 0.00 C ATOM 0 HA PRO A 64 -1.697 -6.222 10.987 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.136 -8.675 9.901 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.992 -8.164 11.571 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.285 -7.823 10.227 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.753 -6.644 11.409 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.774 -6.446 8.434 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.905 -5.172 9.630 1.00 0.00 H new ATOM 964 N ALA A 65 -1.296 -8.221 8.417 1.00 0.00 N ATOM 965 CA ALA A 65 -0.272 -8.904 7.636 1.00 0.00 C ATOM 966 C ALA A 65 0.789 -7.924 7.147 1.00 0.00 C ATOM 967 O ALA A 65 1.985 -8.139 7.346 1.00 0.00 O ATOM 968 CB ALA A 65 -0.904 -9.630 6.458 1.00 0.00 C ATOM 0 H ALA A 65 -2.253 -8.429 8.132 1.00 0.00 H new ATOM 0 HA ALA A 65 0.215 -9.635 8.281 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.128 -10.136 5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.620 -10.365 6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.417 -8.910 5.820 1.00 0.00 H new ATOM 974 N VAL A 66 0.345 -6.848 6.506 1.00 0.00 N ATOM 975 CA VAL A 66 1.257 -5.834 5.990 1.00 0.00 C ATOM 976 C VAL A 66 2.262 -5.406 7.053 1.00 0.00 C ATOM 977 O VAL A 66 3.471 -5.548 6.872 1.00 0.00 O ATOM 978 CB VAL A 66 0.493 -4.594 5.490 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.463 -3.478 5.131 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.385 -4.952 4.301 1.00 0.00 C ATOM 0 H VAL A 66 -0.641 -6.656 6.331 1.00 0.00 H new ATOM 0 HA VAL A 66 1.790 -6.284 5.152 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.152 -4.238 6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.905 -2.610 4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.044 -3.204 6.011 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.136 -3.820 4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.917 -4.064 3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.237 -5.334 3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.105 -5.715 4.597 1.00 0.00 H new ATOM 990 N ILE A 67 1.752 -4.880 8.162 1.00 0.00 N ATOM 991 CA ILE A 67 2.605 -4.432 9.256 1.00 0.00 C ATOM 992 C ILE A 67 3.597 -5.517 9.660 1.00 0.00 C ATOM 993 O ILE A 67 4.766 -5.238 9.929 1.00 0.00 O ATOM 994 CB ILE A 67 1.774 -4.027 10.488 1.00 0.00 C ATOM 995 CG1 ILE A 67 0.812 -2.892 10.131 1.00 0.00 C ATOM 996 CG2 ILE A 67 2.689 -3.613 11.631 1.00 0.00 C ATOM 997 CD1 ILE A 67 -0.085 -2.478 11.276 1.00 0.00 C ATOM 0 H ILE A 67 0.753 -4.754 8.326 1.00 0.00 H new ATOM 0 HA ILE A 67 3.151 -3.561 8.894 1.00 0.00 H new ATOM 0 HB ILE A 67 1.187 -4.887 10.811 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.389 -2.028 9.801 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.193 -3.202 9.289 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.087 -3.330 12.494 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.337 -4.447 11.899 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.299 -2.765 11.320 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.740 -1.670 10.951 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.688 -3.329 11.592 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.526 -2.136 12.112 1.00 0.00 H new ATOM 1009 N LYS A 68 3.124 -6.758 9.700 1.00 0.00 N ATOM 1010 CA LYS A 68 3.969 -7.888 10.068 1.00 0.00 C ATOM 1011 C LYS A 68 5.056 -8.117 9.023 1.00 0.00 C ATOM 1012 O LYS A 68 6.212 -8.374 9.363 1.00 0.00 O ATOM 1013 CB LYS A 68 3.123 -9.154 10.225 1.00 0.00 C ATOM 1014 CG LYS A 68 3.862 -10.300 10.894 1.00 0.00 C ATOM 1015 CD LYS A 68 4.576 -11.173 9.876 1.00 0.00 C ATOM 1016 CE LYS A 68 4.938 -12.530 10.461 1.00 0.00 C ATOM 1017 NZ LYS A 68 5.648 -13.388 9.474 1.00 0.00 N ATOM 0 H LYS A 68 2.159 -7.007 9.482 1.00 0.00 H new ATOM 0 HA LYS A 68 4.447 -7.657 11.020 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.233 -8.916 10.808 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.782 -9.477 9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.586 -9.902 11.605 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.157 -10.906 11.463 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.939 -11.311 9.003 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.481 -10.670 9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.568 -12.390 11.340 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.032 -13.035 10.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.877 -14.303 9.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.038 -13.543 8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.526 -12.918 9.174 1.00 0.00 H new ATOM 1031 N TYR A 69 4.680 -8.021 7.753 1.00 0.00 N ATOM 1032 CA TYR A 69 5.624 -8.219 6.659 1.00 0.00 C ATOM 1033 C TYR A 69 6.674 -7.113 6.639 1.00 0.00 C ATOM 1034 O TYR A 69 7.869 -7.377 6.499 1.00 0.00 O ATOM 1035 CB TYR A 69 4.884 -8.260 5.321 1.00 0.00 C ATOM 1036 CG TYR A 69 5.787 -8.063 4.124 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.309 -6.811 3.821 1.00 0.00 C ATOM 1038 CD2 TYR A 69 6.118 -9.129 3.297 1.00 0.00 C ATOM 1039 CE1 TYR A 69 7.133 -6.627 2.728 1.00 0.00 C ATOM 1040 CE2 TYR A 69 6.943 -8.954 2.203 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.448 -7.701 1.922 1.00 0.00 C ATOM 1042 OH TYR A 69 8.270 -7.522 0.833 1.00 0.00 O ATOM 0 H TYR A 69 3.728 -7.807 7.455 1.00 0.00 H new ATOM 0 HA TYR A 69 6.130 -9.172 6.816 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.374 -9.218 5.227 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.115 -7.488 5.317 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.066 -5.968 4.451 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.724 -10.111 3.513 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.529 -5.647 2.506 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.192 -9.794 1.571 1.00 0.00 H new ATOM 0 HH TYR A 69 8.393 -8.378 0.372 1.00 0.00 H new ATOM 1052 N LEU A 70 6.220 -5.872 6.782 1.00 0.00 N ATOM 1053 CA LEU A 70 7.119 -4.724 6.781 1.00 0.00 C ATOM 1054 C LEU A 70 8.232 -4.903 7.808 1.00 0.00 C ATOM 1055 O LEU A 70 9.415 -4.897 7.463 1.00 0.00 O ATOM 1056 CB LEU A 70 6.340 -3.441 7.076 1.00 0.00 C ATOM 1057 CG LEU A 70 5.302 -3.030 6.030 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.494 -1.839 6.520 1.00 0.00 C ATOM 1059 CD2 LEU A 70 5.979 -2.710 4.705 1.00 0.00 C ATOM 0 H LEU A 70 5.235 -5.636 6.900 1.00 0.00 H new ATOM 0 HA LEU A 70 7.571 -4.649 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.834 -3.559 8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.053 -2.625 7.191 1.00 0.00 H new ATOM 0 HG LEU A 70 4.620 -3.866 5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.761 -1.561 5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.979 -2.104 7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.162 -0.998 6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.226 -2.420 3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.684 -1.891 4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.513 -3.590 4.347 1.00 0.00 H new ATOM 1071 N ILE A 71 7.847 -5.064 9.069 1.00 0.00 N ATOM 1072 CA ILE A 71 8.812 -5.249 10.145 1.00 0.00 C ATOM 1073 C ILE A 71 9.821 -6.339 9.798 1.00 0.00 C ATOM 1074 O ILE A 71 11.006 -6.224 10.108 1.00 0.00 O ATOM 1075 CB ILE A 71 8.117 -5.612 11.470 1.00 0.00 C ATOM 1076 CG1 ILE A 71 7.122 -4.518 11.866 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.147 -5.821 12.570 1.00 0.00 C ATOM 1078 CD1 ILE A 71 6.134 -4.954 12.925 1.00 0.00 C ATOM 0 H ILE A 71 6.873 -5.070 9.371 1.00 0.00 H new ATOM 0 HA ILE A 71 9.333 -4.300 10.266 1.00 0.00 H new ATOM 0 HB ILE A 71 7.569 -6.544 11.331 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.673 -3.651 12.230 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.574 -4.198 10.979 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.639 -6.077 13.500 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.820 -6.631 12.289 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.721 -4.905 12.710 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.460 -4.129 13.156 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.556 -5.802 12.557 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.672 -5.246 13.827 1.00 0.00 H new ATOM 1090 N SER A 72 9.341 -7.396 9.151 1.00 0.00 N ATOM 1091 CA SER A 72 10.200 -8.509 8.763 1.00 0.00 C ATOM 1092 C SER A 72 11.366 -8.023 7.908 1.00 0.00 C ATOM 1093 O SER A 72 12.519 -8.387 8.145 1.00 0.00 O ATOM 1094 CB SER A 72 9.394 -9.559 7.996 1.00 0.00 C ATOM 1095 OG SER A 72 10.174 -10.714 7.740 1.00 0.00 O ATOM 0 H SER A 72 8.363 -7.505 8.884 1.00 0.00 H new ATOM 0 HA SER A 72 10.601 -8.960 9.671 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.509 -9.834 8.570 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.044 -9.137 7.054 1.00 0.00 H new ATOM 0 HG SER A 72 9.636 -11.370 7.250 1.00 0.00 H new ATOM 1101 N HIS A 73 11.058 -7.197 6.913 1.00 0.00 N ATOM 1102 CA HIS A 73 12.080 -6.659 6.022 1.00 0.00 C ATOM 1103 C HIS A 73 12.599 -5.320 6.537 1.00 0.00 C ATOM 1104 O HIS A 73 13.340 -4.622 5.843 1.00 0.00 O ATOM 1105 CB HIS A 73 11.519 -6.493 4.609 1.00 0.00 C ATOM 1106 CG HIS A 73 11.329 -7.789 3.884 1.00 0.00 C ATOM 1107 ND1 HIS A 73 10.393 -7.964 2.887 1.00 0.00 N ATOM 1108 CD2 HIS A 73 11.964 -8.978 4.014 1.00 0.00 C ATOM 1109 CE1 HIS A 73 10.458 -9.204 2.436 1.00 0.00 C ATOM 1110 NE2 HIS A 73 11.404 -9.840 3.104 1.00 0.00 N ATOM 0 H HIS A 73 10.109 -6.886 6.704 1.00 0.00 H new ATOM 0 HA HIS A 73 12.911 -7.364 5.994 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.562 -5.974 4.666 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.192 -5.859 4.032 1.00 0.00 H new ATOM 0 HD1 HIS A 73 9.750 -7.247 2.550 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.762 -9.206 4.705 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.843 -9.626 1.655 1.00 0.00 H new ATOM 1118 N SER A 74 12.205 -4.967 7.756 1.00 0.00 N ATOM 1119 CA SER A 74 12.627 -3.709 8.362 1.00 0.00 C ATOM 1120 C SER A 74 12.216 -2.524 7.494 1.00 0.00 C ATOM 1121 O SER A 74 13.006 -1.610 7.257 1.00 0.00 O ATOM 1122 CB SER A 74 14.143 -3.702 8.570 1.00 0.00 C ATOM 1123 OG SER A 74 14.563 -4.845 9.294 1.00 0.00 O ATOM 0 H SER A 74 11.594 -5.534 8.344 1.00 0.00 H new ATOM 0 HA SER A 74 12.134 -3.617 9.330 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.646 -3.675 7.603 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.436 -2.800 9.107 1.00 0.00 H new ATOM 0 HG SER A 74 15.535 -4.818 9.412 1.00 0.00 H new ATOM 1129 N PHE A 75 10.974 -2.546 7.022 1.00 0.00 N ATOM 1130 CA PHE A 75 10.457 -1.474 6.179 1.00 0.00 C ATOM 1131 C PHE A 75 9.927 -0.322 7.028 1.00 0.00 C ATOM 1132 O PHE A 75 9.008 -0.499 7.828 1.00 0.00 O ATOM 1133 CB PHE A 75 9.347 -2.004 5.268 1.00 0.00 C ATOM 1134 CG PHE A 75 9.850 -2.531 3.955 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.600 -1.726 3.112 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.574 -3.831 3.563 1.00 0.00 C ATOM 1137 CE1 PHE A 75 11.064 -2.209 1.903 1.00 0.00 C ATOM 1138 CE2 PHE A 75 10.035 -4.319 2.355 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.782 -3.507 1.524 1.00 0.00 C ATOM 0 H PHE A 75 10.307 -3.294 7.209 1.00 0.00 H new ATOM 0 HA PHE A 75 11.276 -1.102 5.564 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.810 -2.798 5.787 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.630 -1.205 5.079 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.824 -0.710 3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.991 -4.471 4.209 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.647 -1.572 1.255 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.811 -5.334 2.061 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.145 -3.886 0.580 1.00 0.00 H new ATOM 1149 N ARG A 76 10.514 0.856 6.848 1.00 0.00 N ATOM 1150 CA ARG A 76 10.103 2.037 7.599 1.00 0.00 C ATOM 1151 C ARG A 76 8.729 2.519 7.143 1.00 0.00 C ATOM 1152 O ARG A 76 8.420 2.511 5.952 1.00 0.00 O ATOM 1153 CB ARG A 76 11.130 3.158 7.430 1.00 0.00 C ATOM 1154 CG ARG A 76 10.923 4.323 8.384 1.00 0.00 C ATOM 1155 CD ARG A 76 11.826 5.495 8.035 1.00 0.00 C ATOM 1156 NE ARG A 76 11.838 6.509 9.087 1.00 0.00 N ATOM 1157 CZ ARG A 76 12.281 7.748 8.908 1.00 0.00 C ATOM 1158 NH1 ARG A 76 12.747 8.125 7.725 1.00 0.00 N ATOM 1159 NH2 ARG A 76 12.260 8.613 9.914 1.00 0.00 N ATOM 0 H ARG A 76 11.275 1.019 6.189 1.00 0.00 H new ATOM 0 HA ARG A 76 10.043 1.764 8.653 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.129 2.749 7.580 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.087 3.527 6.405 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.881 4.642 8.350 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.124 3.999 9.405 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.841 5.134 7.868 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.490 5.946 7.101 1.00 0.00 H new ATOM 0 HE ARG A 76 11.487 6.251 10.009 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.766 7.463 6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.087 9.077 7.591 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.903 8.326 10.826 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.600 9.564 9.776 1.00 0.00 H new ATOM 1173 N PHE A 77 7.907 2.938 8.101 1.00 0.00 N ATOM 1174 CA PHE A 77 6.565 3.422 7.799 1.00 0.00 C ATOM 1175 C PHE A 77 5.966 4.148 9.000 1.00 0.00 C ATOM 1176 O PHE A 77 6.502 4.087 10.106 1.00 0.00 O ATOM 1177 CB PHE A 77 5.661 2.259 7.388 1.00 0.00 C ATOM 1178 CG PHE A 77 5.322 1.334 8.521 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.296 0.532 9.094 1.00 0.00 C ATOM 1180 CD2 PHE A 77 4.029 1.265 9.014 1.00 0.00 C ATOM 1181 CE1 PHE A 77 5.988 -0.320 10.138 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.714 0.415 10.058 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.695 -0.379 10.619 1.00 0.00 C ATOM 0 H PHE A 77 8.147 2.952 9.092 1.00 0.00 H new ATOM 0 HA PHE A 77 6.637 4.126 6.970 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.738 2.658 6.967 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.152 1.689 6.599 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.308 0.573 8.720 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.258 1.883 8.578 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.757 -0.938 10.577 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.703 0.372 10.434 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.451 -1.045 11.433 1.00 0.00 H new ATOM 1193 N SER A 78 4.851 4.835 8.772 1.00 0.00 N ATOM 1194 CA SER A 78 4.180 5.576 9.834 1.00 0.00 C ATOM 1195 C SER A 78 2.670 5.589 9.617 1.00 0.00 C ATOM 1196 O SER A 78 2.196 5.776 8.497 1.00 0.00 O ATOM 1197 CB SER A 78 4.710 7.010 9.897 1.00 0.00 C ATOM 1198 OG SER A 78 6.075 7.033 10.279 1.00 0.00 O ATOM 0 H SER A 78 4.394 4.894 7.862 1.00 0.00 H new ATOM 0 HA SER A 78 4.389 5.077 10.780 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.593 7.487 8.924 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.120 7.588 10.608 1.00 0.00 H new ATOM 0 HG SER A 78 6.390 7.960 10.310 1.00 0.00 H new ATOM 1204 N GLU A 79 1.922 5.388 10.697 1.00 0.00 N ATOM 1205 CA GLU A 79 0.465 5.376 10.625 1.00 0.00 C ATOM 1206 C GLU A 79 -0.102 6.776 10.840 1.00 0.00 C ATOM 1207 O GLU A 79 -0.146 7.273 11.966 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.111 4.414 11.666 1.00 0.00 C ATOM 1209 CG GLU A 79 -1.503 3.910 11.324 1.00 0.00 C ATOM 1210 CD GLU A 79 -1.918 2.723 12.172 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -1.091 1.807 12.357 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -3.071 2.713 12.652 1.00 0.00 O ATOM 0 H GLU A 79 2.300 5.231 11.631 1.00 0.00 H new ATOM 0 HA GLU A 79 0.178 5.036 9.630 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.560 3.561 11.771 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.143 4.915 12.633 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.222 4.718 11.460 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.535 3.629 10.271 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.534 7.407 9.754 1.00 0.00 N ATOM 1220 CA ILE A 80 -1.099 8.749 9.824 1.00 0.00 C ATOM 1221 C ILE A 80 -2.623 8.703 9.868 1.00 0.00 C ATOM 1222 O ILE A 80 -3.269 9.632 10.351 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.658 9.609 8.625 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -0.796 8.816 7.323 1.00 0.00 C ATOM 1225 CG2 ILE A 80 0.775 10.083 8.812 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -0.630 9.663 6.080 1.00 0.00 C ATOM 0 H ILE A 80 -0.504 7.011 8.815 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.725 9.201 10.743 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.305 10.484 8.567 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.053 8.019 7.312 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.776 8.339 7.300 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.072 10.690 7.956 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.845 10.679 9.722 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.436 9.220 8.892 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.740 9.036 5.195 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.390 10.444 6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.360 10.120 6.080 1.00 0.00 H new ATOM 1238 N LYS A 81 -3.191 7.613 9.364 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.639 7.442 9.348 1.00 0.00 C ATOM 1240 C LYS A 81 -5.026 6.040 9.808 1.00 0.00 C ATOM 1241 O LYS A 81 -4.267 5.081 9.665 1.00 0.00 O ATOM 1242 CB LYS A 81 -5.188 7.698 7.943 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.561 8.899 7.255 1.00 0.00 C ATOM 1244 CD LYS A 81 -5.532 9.558 6.290 1.00 0.00 C ATOM 1245 CE LYS A 81 -6.662 10.259 7.028 1.00 0.00 C ATOM 1246 NZ LYS A 81 -7.307 11.307 6.189 1.00 0.00 N ATOM 0 H LYS A 81 -2.670 6.834 8.961 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.073 8.165 10.039 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.023 6.812 7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.266 7.847 8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.243 9.624 8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.667 8.585 6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.998 10.279 5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.946 8.806 5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.409 9.525 7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.274 10.712 7.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.072 11.761 6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.600 12.022 5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.700 10.871 5.330 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.236 5.915 10.373 1.00 0.00 N ATOM 1261 CA PRO A 82 -6.752 4.633 10.864 1.00 0.00 C ATOM 1262 C PRO A 82 -7.073 3.665 9.730 1.00 0.00 C ATOM 1263 O PRO A 82 -7.564 2.562 9.964 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.030 5.027 11.609 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.459 6.306 10.976 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.194 7.015 10.576 1.00 0.00 C ATOM 0 HA PRO A 82 -6.024 4.111 11.485 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.798 4.260 11.511 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.843 5.156 12.675 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.092 6.119 10.109 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.041 6.910 11.672 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.332 7.601 9.667 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.857 7.704 11.351 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.792 4.087 8.501 1.00 0.00 N ATOM 1275 CA GLY A 83 -7.057 3.244 7.349 1.00 0.00 C ATOM 1276 C GLY A 83 -6.035 3.431 6.246 1.00 0.00 C ATOM 1277 O GLY A 83 -6.259 3.021 5.107 1.00 0.00 O ATOM 0 H GLY A 83 -6.386 4.997 8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.063 2.200 7.661 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.051 3.467 6.961 1.00 0.00 H new ATOM 1281 N CYS A 84 -4.910 4.053 6.583 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.850 4.296 5.611 1.00 0.00 C ATOM 1283 C CYS A 84 -2.485 3.948 6.197 1.00 0.00 C ATOM 1284 O CYS A 84 -2.306 3.934 7.416 1.00 0.00 O ATOM 1285 CB CYS A 84 -3.867 5.757 5.161 1.00 0.00 C ATOM 1286 SG CYS A 84 -3.185 6.029 3.509 1.00 0.00 S ATOM 0 H CYS A 84 -4.709 4.398 7.522 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.029 3.655 4.747 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.894 6.121 5.183 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.303 6.353 5.878 1.00 0.00 H new ATOM 0 HG CYS A 84 -3.245 7.294 3.218 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.526 3.665 5.322 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.177 3.315 5.753 1.00 0.00 C ATOM 1294 C LEU A 85 0.868 3.995 4.874 1.00 0.00 C ATOM 1295 O LEU A 85 0.862 3.842 3.652 1.00 0.00 O ATOM 1296 CB LEU A 85 0.015 1.798 5.712 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.689 1.004 6.813 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.562 -0.490 6.557 1.00 0.00 C ATOM 1299 CD2 LEU A 85 -0.120 1.363 8.178 1.00 0.00 C ATOM 0 H LEU A 85 -1.657 3.671 4.311 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.047 3.664 6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.336 1.433 4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.083 1.585 5.764 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.747 1.266 6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.069 -1.039 7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.018 -0.735 5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.492 -0.768 6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.633 0.788 8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.945 1.131 8.201 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.263 2.428 8.363 1.00 0.00 H new ATOM 1311 N LYS A 86 1.766 4.745 5.504 1.00 0.00 N ATOM 1312 CA LYS A 86 2.821 5.446 4.781 1.00 0.00 C ATOM 1313 C LYS A 86 4.164 4.747 4.966 1.00 0.00 C ATOM 1314 O LYS A 86 4.692 4.678 6.076 1.00 0.00 O ATOM 1315 CB LYS A 86 2.918 6.896 5.259 1.00 0.00 C ATOM 1316 CG LYS A 86 3.841 7.755 4.412 1.00 0.00 C ATOM 1317 CD LYS A 86 3.679 9.231 4.733 1.00 0.00 C ATOM 1318 CE LYS A 86 4.868 10.042 4.242 1.00 0.00 C ATOM 1319 NZ LYS A 86 6.029 9.944 5.170 1.00 0.00 N ATOM 0 H LYS A 86 1.784 4.883 6.514 1.00 0.00 H new ATOM 0 HA LYS A 86 2.569 5.436 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.921 7.338 5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.270 6.907 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.875 7.456 4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.630 7.586 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.766 9.607 4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.569 9.360 5.810 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.163 9.691 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.576 11.087 4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.392 10.897 5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.728 9.491 6.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.779 9.375 4.728 1.00 0.00 H new ATOM 1333 N VAL A 87 4.713 4.230 3.871 1.00 0.00 N ATOM 1334 CA VAL A 87 5.996 3.539 3.912 1.00 0.00 C ATOM 1335 C VAL A 87 7.059 4.307 3.133 1.00 0.00 C ATOM 1336 O VAL A 87 6.797 4.819 2.046 1.00 0.00 O ATOM 1337 CB VAL A 87 5.884 2.114 3.339 1.00 0.00 C ATOM 1338 CG1 VAL A 87 7.228 1.404 3.408 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.815 1.325 4.079 1.00 0.00 C ATOM 0 H VAL A 87 4.289 4.277 2.945 1.00 0.00 H new ATOM 0 HA VAL A 87 6.290 3.479 4.960 1.00 0.00 H new ATOM 0 HB VAL A 87 5.591 2.184 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.130 0.398 2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.964 1.961 2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.554 1.343 4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.749 0.320 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.075 1.262 5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.853 1.826 3.972 1.00 0.00 H new ATOM 1349 N MET A 88 8.260 4.381 3.698 1.00 0.00 N ATOM 1350 CA MET A 88 9.364 5.084 3.055 1.00 0.00 C ATOM 1351 C MET A 88 10.186 4.133 2.193 1.00 0.00 C ATOM 1352 O MET A 88 10.805 3.196 2.701 1.00 0.00 O ATOM 1353 CB MET A 88 10.259 5.742 4.107 1.00 0.00 C ATOM 1354 CG MET A 88 9.551 6.809 4.927 1.00 0.00 C ATOM 1355 SD MET A 88 8.812 8.095 3.902 1.00 0.00 S ATOM 1356 CE MET A 88 10.264 9.042 3.448 1.00 0.00 C ATOM 0 H MET A 88 8.493 3.963 4.599 1.00 0.00 H new ATOM 0 HA MET A 88 8.944 5.857 2.411 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.641 4.973 4.779 1.00 0.00 H new ATOM 0 HB3 MET A 88 11.121 6.189 3.611 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.775 6.341 5.532 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.262 7.263 5.617 1.00 0.00 H new ATOM 0 HE1 MET A 88 9.970 9.876 2.811 1.00 0.00 H new ATOM 0 HE2 MET A 88 10.745 9.425 4.348 1.00 0.00 H new ATOM 0 HE3 MET A 88 10.962 8.402 2.908 1.00 0.00 H new ATOM 1366 N LEU A 89 10.189 4.377 0.887 1.00 0.00 N ATOM 1367 CA LEU A 89 10.937 3.541 -0.046 1.00 0.00 C ATOM 1368 C LEU A 89 12.438 3.666 0.193 1.00 0.00 C ATOM 1369 O LEU A 89 12.993 4.764 0.165 1.00 0.00 O ATOM 1370 CB LEU A 89 10.604 3.929 -1.488 1.00 0.00 C ATOM 1371 CG LEU A 89 9.118 3.972 -1.846 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.926 4.475 -3.268 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.489 2.597 -1.674 1.00 0.00 C ATOM 0 H LEU A 89 9.682 5.147 0.450 1.00 0.00 H new ATOM 0 HA LEU A 89 10.647 2.504 0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.034 4.911 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.098 3.223 -2.156 1.00 0.00 H new ATOM 0 HG LEU A 89 8.620 4.665 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.862 4.499 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.340 5.479 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.438 3.808 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.431 2.646 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.990 1.883 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.594 2.276 -0.638 1.00 0.00 H new ATOM 1385 N LYS A 90 13.091 2.532 0.426 1.00 0.00 N ATOM 1386 CA LYS A 90 14.529 2.513 0.667 1.00 0.00 C ATOM 1387 C LYS A 90 15.299 2.412 -0.646 1.00 0.00 C ATOM 1388 O LYS A 90 14.964 1.605 -1.513 1.00 0.00 O ATOM 1389 CB LYS A 90 14.898 1.340 1.578 1.00 0.00 C ATOM 1390 CG LYS A 90 14.491 -0.014 1.022 1.00 0.00 C ATOM 1391 CD LYS A 90 15.339 -1.133 1.602 1.00 0.00 C ATOM 1392 CE LYS A 90 14.939 -1.452 3.034 1.00 0.00 C ATOM 1393 NZ LYS A 90 15.508 -2.749 3.493 1.00 0.00 N ATOM 0 H LYS A 90 12.647 1.614 0.453 1.00 0.00 H new ATOM 0 HA LYS A 90 14.803 3.447 1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.975 1.346 1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.424 1.482 2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.440 -0.199 1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 90 14.589 -0.007 -0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.234 -2.026 0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 90 16.390 -0.847 1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.279 -0.653 3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.852 -1.486 3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.212 -2.930 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.164 -3.515 2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.546 -2.709 3.446 1.00 0.00 H new ATOM 1407 N SER A 91 16.332 3.237 -0.786 1.00 0.00 N ATOM 1408 CA SER A 91 17.148 3.242 -1.994 1.00 0.00 C ATOM 1409 C SER A 91 17.963 1.957 -2.105 1.00 0.00 C ATOM 1410 O SER A 91 18.910 1.742 -1.351 1.00 0.00 O ATOM 1411 CB SER A 91 18.082 4.454 -1.999 1.00 0.00 C ATOM 1412 OG SER A 91 18.914 4.461 -0.851 1.00 0.00 O ATOM 0 H SER A 91 16.623 3.910 -0.078 1.00 0.00 H new ATOM 0 HA SER A 91 16.480 3.303 -2.853 1.00 0.00 H new ATOM 0 HB2 SER A 91 18.698 4.439 -2.898 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.493 5.371 -2.031 1.00 0.00 H new ATOM 0 HG SER A 91 19.200 3.546 -0.648 1.00 0.00 H new ATOM 1418 N GLY A 92 17.585 1.105 -3.054 1.00 0.00 N ATOM 1419 CA GLY A 92 18.290 -0.149 -3.247 1.00 0.00 C ATOM 1420 C GLY A 92 18.421 -0.520 -4.711 1.00 0.00 C ATOM 1421 O GLY A 92 17.518 -0.290 -5.516 1.00 0.00 O ATOM 0 H GLY A 92 16.804 1.261 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.283 -0.076 -2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.763 -0.944 -2.720 1.00 0.00 H new ATOM 1425 N PRO A 93 19.571 -1.108 -5.076 1.00 0.00 N ATOM 1426 CA PRO A 93 19.845 -1.523 -6.455 1.00 0.00 C ATOM 1427 C PRO A 93 18.988 -2.709 -6.884 1.00 0.00 C ATOM 1428 O PRO A 93 19.122 -3.211 -8.000 1.00 0.00 O ATOM 1429 CB PRO A 93 21.324 -1.916 -6.419 1.00 0.00 C ATOM 1430 CG PRO A 93 21.581 -2.294 -5.002 1.00 0.00 C ATOM 1431 CD PRO A 93 20.691 -1.413 -4.170 1.00 0.00 C ATOM 0 HA PRO A 93 19.617 -0.734 -7.172 1.00 0.00 H new ATOM 0 HB2 PRO A 93 21.529 -2.747 -7.094 1.00 0.00 H new ATOM 0 HB3 PRO A 93 21.961 -1.088 -6.730 1.00 0.00 H new ATOM 0 HG2 PRO A 93 21.356 -3.347 -4.832 1.00 0.00 H new ATOM 0 HG3 PRO A 93 22.629 -2.146 -4.743 1.00 0.00 H new ATOM 0 HD2 PRO A 93 20.351 -1.922 -3.268 1.00 0.00 H new ATOM 0 HD3 PRO A 93 21.207 -0.508 -3.850 1.00 0.00 H new ATOM 1439 N SER A 94 18.108 -3.151 -5.992 1.00 0.00 N ATOM 1440 CA SER A 94 17.232 -4.281 -6.278 1.00 0.00 C ATOM 1441 C SER A 94 18.032 -5.576 -6.386 1.00 0.00 C ATOM 1442 O SER A 94 17.861 -6.347 -7.329 1.00 0.00 O ATOM 1443 CB SER A 94 16.458 -4.038 -7.575 1.00 0.00 C ATOM 1444 OG SER A 94 15.310 -4.865 -7.647 1.00 0.00 O ATOM 0 H SER A 94 17.983 -2.744 -5.065 1.00 0.00 H new ATOM 0 HA SER A 94 16.526 -4.378 -5.454 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.160 -2.991 -7.633 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.105 -4.234 -8.430 1.00 0.00 H new ATOM 0 HG SER A 94 15.579 -5.805 -7.578 1.00 0.00 H new ATOM 1450 N SER A 95 18.905 -5.807 -5.411 1.00 0.00 N ATOM 1451 CA SER A 95 19.735 -7.005 -5.396 1.00 0.00 C ATOM 1452 C SER A 95 18.897 -8.243 -5.090 1.00 0.00 C ATOM 1453 O SER A 95 19.207 -9.344 -5.543 1.00 0.00 O ATOM 1454 CB SER A 95 20.854 -6.864 -4.363 1.00 0.00 C ATOM 1455 OG SER A 95 21.632 -5.705 -4.608 1.00 0.00 O ATOM 0 H SER A 95 19.056 -5.180 -4.621 1.00 0.00 H new ATOM 0 HA SER A 95 20.177 -7.123 -6.385 1.00 0.00 H new ATOM 0 HB2 SER A 95 20.425 -6.813 -3.362 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.493 -7.747 -4.391 1.00 0.00 H new ATOM 0 HG SER A 95 22.339 -5.637 -3.933 1.00 0.00 H new ATOM 1461 N GLY A 96 17.833 -8.052 -4.316 1.00 0.00 N ATOM 1462 CA GLY A 96 16.966 -9.160 -3.960 1.00 0.00 C ATOM 1463 C GLY A 96 17.454 -9.909 -2.736 1.00 0.00 C ATOM 1464 O GLY A 96 17.960 -9.304 -1.791 1.00 0.00 O ATOM 0 H GLY A 96 17.556 -7.150 -3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.960 -8.785 -3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.899 -9.850 -4.801 1.00 0.00 H new TER 1468 GLY A 96