USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 435 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 45 HIS : no HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Set 1.2: A 66 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.1!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -0.0886 X(o=-0.39,f=-0.31) USER MOD Set 2.2: A 30 HIS : no HD1:sc= -0.305 X(o=-0.39,f=-0.59) USER MOD Set 3.1: A 20 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-2.6!) USER MOD Set 3.2: A 53 HIS : no HD1:sc= -0.0185 X(o=-1.1,f=-1.1) USER MOD Set 4.1: A 5 THR OG1 : rot -47:sc= 1.24 USER MOD Set 4.2: A 12 ASN : amide:sc= -0.359 K(o=0.88,f=-3.4!) USER MOD Single : A 6 TYR OH : rot 85:sc= 0.0354 USER MOD Single : A 8 ASN : amide:sc= 0.0482 K(o=0.048,f=-2.6!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -161:sc= 1.25 (180deg=1.1) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 158:sc= 1.1 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.0235 USER MOD Single : A 50 LYS NZ :NH3+ -121:sc= 1.26 (180deg=-0.508) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0232) USER MOD Single : A 62 CYS SG : rot 180:sc= 0.125 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -157:sc= 1.18 (180deg=0.608) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -8.634 -9.766 -1.725 1.00 10.00 N ATOM 14 CA ASP A 2 -7.716 -10.624 -0.979 1.00 10.00 C ATOM 15 C ASP A 2 -6.335 -10.828 -1.636 1.00 10.00 C ATOM 16 O ASP A 2 -6.121 -11.773 -2.389 1.00 10.00 O ATOM 17 CB ASP A 2 -8.438 -11.937 -0.633 1.00 10.00 C ATOM 18 CG ASP A 2 -9.756 -11.705 0.090 1.00 10.00 C ATOM 19 OD1 ASP A 2 -10.735 -11.375 -0.618 1.00 10.00 O ATOM 20 OD2 ASP A 2 -9.753 -11.816 1.332 1.00 10.00 O ATOM 0 HA ASP A 2 -7.453 -10.107 -0.056 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -8.624 -12.498 -1.549 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -7.789 -12.551 -0.009 1.00 10.00 H new ATOM 25 N VAL A 3 -5.384 -9.947 -1.297 1.00 10.00 N ATOM 26 CA VAL A 3 -4.015 -9.929 -1.809 1.00 10.00 C ATOM 27 C VAL A 3 -4.008 -9.686 -3.329 1.00 10.00 C ATOM 28 O VAL A 3 -3.828 -10.594 -4.135 1.00 10.00 O ATOM 29 CB VAL A 3 -3.250 -11.172 -1.325 1.00 10.00 C ATOM 30 CG1 VAL A 3 -1.791 -11.179 -1.798 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.223 -11.252 0.209 1.00 10.00 C ATOM 0 H VAL A 3 -5.560 -9.196 -0.629 1.00 10.00 H new ATOM 0 HA VAL A 3 -3.461 -9.085 -1.398 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.783 -12.023 -1.750 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.294 -12.077 -1.430 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -1.762 -11.168 -2.888 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.279 -10.297 -1.413 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.675 -12.142 0.517 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -2.732 -10.366 0.611 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.243 -11.305 0.589 1.00 10.00 H new ATOM 41 N VAL A 4 -4.219 -8.423 -3.716 1.00 10.00 N ATOM 42 CA VAL A 4 -4.282 -7.993 -5.114 1.00 10.00 C ATOM 43 C VAL A 4 -2.873 -7.626 -5.605 1.00 10.00 C ATOM 44 O VAL A 4 -2.136 -6.947 -4.895 1.00 10.00 O ATOM 45 CB VAL A 4 -5.236 -6.788 -5.264 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.452 -6.450 -6.746 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.606 -6.998 -4.607 1.00 10.00 C ATOM 0 H VAL A 4 -4.353 -7.659 -3.054 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.668 -8.812 -5.721 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.745 -5.965 -4.745 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.127 -5.598 -6.830 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.495 -6.202 -7.206 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -5.887 -7.310 -7.256 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.220 -6.110 -4.754 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.098 -7.859 -5.060 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.474 -7.175 -3.540 1.00 10.00 H new ATOM 57 N THR A 5 -2.493 -8.033 -6.818 1.00 10.00 N ATOM 58 CA THR A 5 -1.190 -7.708 -7.409 1.00 10.00 C ATOM 59 C THR A 5 -1.341 -6.715 -8.559 1.00 10.00 C ATOM 60 O THR A 5 -2.221 -6.875 -9.400 1.00 10.00 O ATOM 61 CB THR A 5 -0.454 -9.008 -7.801 1.00 10.00 C ATOM 62 OG1 THR A 5 0.566 -9.290 -6.867 1.00 10.00 O ATOM 63 CG2 THR A 5 0.178 -9.000 -9.193 1.00 10.00 C ATOM 0 H THR A 5 -3.084 -8.602 -7.424 1.00 10.00 H new ATOM 0 HA THR A 5 -0.566 -7.204 -6.671 1.00 10.00 H new ATOM 0 HB THR A 5 -1.232 -9.771 -7.807 1.00 10.00 H new ATOM 0 HG1 THR A 5 1.087 -8.478 -6.696 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.670 -9.955 -9.375 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.597 -8.843 -9.943 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.912 -8.196 -9.255 1.00 10.00 H new ATOM 71 N TYR A 6 -0.506 -5.665 -8.564 1.00 10.00 N ATOM 72 CA TYR A 6 -0.522 -4.643 -9.612 1.00 10.00 C ATOM 73 C TYR A 6 0.694 -4.835 -10.506 1.00 10.00 C ATOM 74 O TYR A 6 1.816 -4.595 -10.055 1.00 10.00 O ATOM 75 CB TYR A 6 -0.576 -3.204 -9.074 1.00 10.00 C ATOM 76 CG TYR A 6 -1.922 -2.757 -8.519 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.651 -3.591 -7.647 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.373 -1.441 -8.748 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.762 -3.096 -6.954 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.498 -0.950 -8.059 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.169 -1.772 -7.140 1.00 10.00 C ATOM 82 OH TYR A 6 -5.156 -1.290 -6.346 1.00 10.00 O ATOM 0 H TYR A 6 0.196 -5.504 -7.842 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.443 -4.776 -10.180 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.173 -3.101 -8.288 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.291 -2.524 -9.877 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.350 -4.619 -7.513 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.854 -0.809 -9.453 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.305 -3.737 -6.275 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.844 0.057 -8.237 1.00 10.00 H new ATOM 0 HH TYR A 6 -4.770 -0.962 -5.507 1.00 10.00 H new ATOM 92 N GLU A 7 0.443 -5.302 -11.733 1.00 10.00 N ATOM 93 CA GLU A 7 1.420 -5.652 -12.752 1.00 10.00 C ATOM 94 C GLU A 7 1.637 -4.471 -13.706 1.00 10.00 C ATOM 95 O GLU A 7 0.740 -4.125 -14.473 1.00 10.00 O ATOM 96 CB GLU A 7 0.932 -6.910 -13.486 1.00 10.00 C ATOM 97 CG GLU A 7 0.725 -8.076 -12.515 1.00 10.00 C ATOM 98 CD GLU A 7 0.176 -9.326 -13.188 1.00 10.00 C ATOM 99 OE1 GLU A 7 0.915 -9.889 -14.022 1.00 10.00 O ATOM 100 OE2 GLU A 7 -0.966 -9.695 -12.843 1.00 10.00 O ATOM 0 H GLU A 7 -0.513 -5.453 -12.055 1.00 10.00 H new ATOM 0 HA GLU A 7 2.386 -5.870 -12.297 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.004 -6.693 -14.002 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.658 -7.193 -14.248 1.00 10.00 H new ATOM 0 HG2 GLU A 7 1.675 -8.316 -12.037 1.00 10.00 H new ATOM 0 HG3 GLU A 7 0.041 -7.766 -11.725 1.00 10.00 H new ATOM 107 N ASN A 8 2.807 -3.829 -13.620 1.00 10.00 N ATOM 108 CA ASN A 8 3.043 -2.508 -14.191 1.00 10.00 C ATOM 109 C ASN A 8 4.091 -2.675 -15.301 1.00 10.00 C ATOM 110 O ASN A 8 3.807 -3.334 -16.301 1.00 10.00 O ATOM 111 CB ASN A 8 3.356 -1.539 -13.024 1.00 10.00 C ATOM 112 CG ASN A 8 2.656 -1.959 -11.739 1.00 10.00 C ATOM 113 OD1 ASN A 8 1.439 -1.945 -11.638 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.411 -2.469 -10.771 1.00 10.00 N ATOM 0 H ASN A 8 3.622 -4.220 -13.147 1.00 10.00 H new ATOM 0 HA ASN A 8 2.189 -2.049 -14.690 1.00 10.00 H new ATOM 0 HB2 ASN A 8 4.433 -1.506 -12.858 1.00 10.00 H new ATOM 0 HB3 ASN A 8 3.044 -0.530 -13.295 1.00 10.00 H new ATOM 0 HD21 ASN A 8 2.975 -2.854 -9.933 1.00 10.00 H new ATOM 0 HD22 ASN A 8 4.427 -2.475 -10.866 1.00 10.00 H new ATOM 121 N ALA A 9 5.310 -2.169 -15.130 1.00 10.00 N ATOM 122 CA ALA A 9 6.424 -2.450 -16.035 1.00 10.00 C ATOM 123 C ALA A 9 7.767 -2.649 -15.306 1.00 10.00 C ATOM 124 O ALA A 9 8.579 -3.476 -15.717 1.00 10.00 O ATOM 125 CB ALA A 9 6.474 -1.326 -17.066 1.00 10.00 C ATOM 0 H ALA A 9 5.555 -1.550 -14.357 1.00 10.00 H new ATOM 0 HA ALA A 9 6.254 -3.405 -16.532 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.296 -1.504 -17.759 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.534 -1.296 -17.618 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.627 -0.374 -16.559 1.00 10.00 H new ATOM 131 N ALA A 10 8.001 -1.928 -14.208 1.00 10.00 N ATOM 132 CA ALA A 10 9.246 -1.925 -13.441 1.00 10.00 C ATOM 133 C ALA A 10 9.305 -3.018 -12.359 1.00 10.00 C ATOM 134 O ALA A 10 10.263 -3.070 -11.588 1.00 10.00 O ATOM 135 CB ALA A 10 9.402 -0.532 -12.819 1.00 10.00 C ATOM 0 H ALA A 10 7.297 -1.304 -13.813 1.00 10.00 H new ATOM 0 HA ALA A 10 10.070 -2.152 -14.118 1.00 10.00 H new ATOM 0 HB1 ALA A 10 10.323 -0.494 -12.238 1.00 10.00 H new ATOM 0 HB2 ALA A 10 9.441 0.217 -13.610 1.00 10.00 H new ATOM 0 HB3 ALA A 10 8.553 -0.328 -12.167 1.00 10.00 H new ATOM 141 N GLY A 11 8.277 -3.869 -12.279 1.00 10.00 N ATOM 142 CA GLY A 11 8.095 -4.864 -11.227 1.00 10.00 C ATOM 143 C GLY A 11 6.674 -4.753 -10.685 1.00 10.00 C ATOM 144 O GLY A 11 6.210 -3.647 -10.393 1.00 10.00 O ATOM 0 H GLY A 11 7.526 -3.881 -12.969 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.272 -5.865 -11.620 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.818 -4.704 -10.427 1.00 10.00 H new ATOM 148 N ASN A 12 5.955 -5.869 -10.564 1.00 10.00 N ATOM 149 CA ASN A 12 4.631 -5.824 -9.958 1.00 10.00 C ATOM 150 C ASN A 12 4.719 -5.740 -8.435 1.00 10.00 C ATOM 151 O ASN A 12 5.762 -6.044 -7.856 1.00 10.00 O ATOM 152 CB ASN A 12 3.776 -7.004 -10.406 1.00 10.00 C ATOM 153 CG ASN A 12 4.322 -8.318 -9.884 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.394 -8.746 -10.291 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.609 -8.971 -8.983 1.00 10.00 N ATOM 0 H ASN A 12 6.260 -6.793 -10.870 1.00 10.00 H new ATOM 0 HA ASN A 12 4.140 -4.915 -10.306 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.754 -6.868 -10.053 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.736 -7.033 -11.495 1.00 10.00 H new ATOM 0 HD21 ASN A 12 3.949 -9.857 -8.608 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.719 -8.589 -8.663 1.00 10.00 H new ATOM 162 N VAL A 13 3.621 -5.324 -7.807 1.00 10.00 N ATOM 163 CA VAL A 13 3.509 -5.159 -6.354 1.00 10.00 C ATOM 164 C VAL A 13 2.423 -6.093 -5.782 1.00 10.00 C ATOM 165 O VAL A 13 1.826 -6.867 -6.530 1.00 10.00 O ATOM 166 CB VAL A 13 3.282 -3.660 -6.088 1.00 10.00 C ATOM 167 CG1 VAL A 13 1.815 -3.305 -6.268 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.745 -3.144 -4.724 1.00 10.00 C ATOM 0 H VAL A 13 2.763 -5.086 -8.304 1.00 10.00 H new ATOM 0 HA VAL A 13 4.417 -5.459 -5.830 1.00 10.00 H new ATOM 0 HB VAL A 13 3.914 -3.165 -6.825 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.672 -2.242 -6.076 1.00 10.00 H new ATOM 0 HG12 VAL A 13 1.508 -3.534 -7.288 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.212 -3.884 -5.569 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.535 -2.077 -4.648 1.00 10.00 H new ATOM 0 HG22 VAL A 13 3.214 -3.675 -3.934 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.817 -3.312 -4.616 1.00 10.00 H new ATOM 178 N THR A 14 2.138 -5.987 -4.478 1.00 10.00 N ATOM 179 CA THR A 14 1.197 -6.784 -3.704 1.00 10.00 C ATOM 180 C THR A 14 0.488 -5.852 -2.720 1.00 10.00 C ATOM 181 O THR A 14 1.044 -5.418 -1.716 1.00 10.00 O ATOM 182 CB THR A 14 1.890 -7.918 -2.936 1.00 10.00 C ATOM 183 OG1 THR A 14 2.605 -8.754 -3.813 1.00 10.00 O ATOM 184 CG2 THR A 14 0.847 -8.804 -2.255 1.00 10.00 C ATOM 0 H THR A 14 2.599 -5.285 -3.898 1.00 10.00 H new ATOM 0 HA THR A 14 0.488 -7.251 -4.388 1.00 10.00 H new ATOM 0 HB THR A 14 2.558 -7.453 -2.211 1.00 10.00 H new ATOM 0 HG1 THR A 14 3.040 -9.468 -3.302 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.349 -9.606 -1.713 1.00 10.00 H new ATOM 0 HG22 THR A 14 0.261 -8.206 -1.558 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.187 -9.234 -3.008 1.00 10.00 H new ATOM 192 N PHE A 15 -0.749 -5.527 -3.057 1.00 10.00 N ATOM 193 CA PHE A 15 -1.757 -4.916 -2.199 1.00 10.00 C ATOM 194 C PHE A 15 -2.408 -5.981 -1.320 1.00 10.00 C ATOM 195 O PHE A 15 -3.383 -6.628 -1.714 1.00 10.00 O ATOM 196 CB PHE A 15 -2.824 -4.243 -3.056 1.00 10.00 C ATOM 197 CG PHE A 15 -2.349 -2.989 -3.729 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.409 -3.068 -4.769 1.00 10.00 C ATOM 199 CD2 PHE A 15 -2.903 -1.752 -3.371 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.048 -1.913 -5.470 1.00 10.00 C ATOM 201 CE2 PHE A 15 -2.556 -0.603 -4.092 1.00 10.00 C ATOM 202 CZ PHE A 15 -1.642 -0.691 -5.155 1.00 10.00 C ATOM 0 H PHE A 15 -1.102 -5.693 -4.000 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.277 -4.171 -1.565 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.165 -4.946 -3.815 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.685 -4.006 -2.431 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.966 -4.018 -5.027 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -3.594 -1.686 -2.543 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.309 -1.967 -6.256 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -2.991 0.350 -3.831 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.399 0.190 -5.730 1.00 10.00 H new ATOM 212 N ASP A 16 -1.886 -6.131 -0.109 1.00 10.00 N ATOM 213 CA ASP A 16 -2.240 -7.177 0.829 1.00 10.00 C ATOM 214 C ASP A 16 -3.590 -6.891 1.509 1.00 10.00 C ATOM 215 O ASP A 16 -3.670 -6.768 2.730 1.00 10.00 O ATOM 216 CB ASP A 16 -1.074 -7.230 1.813 1.00 10.00 C ATOM 217 CG ASP A 16 0.173 -7.846 1.215 1.00 10.00 C ATOM 218 OD1 ASP A 16 0.087 -9.040 0.866 1.00 10.00 O ATOM 219 OD2 ASP A 16 1.175 -7.105 1.133 1.00 10.00 O ATOM 0 H ASP A 16 -1.175 -5.498 0.257 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.384 -8.142 0.344 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -0.847 -6.220 2.154 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -1.372 -7.804 2.691 1.00 10.00 H new ATOM 224 N HIS A 17 -4.662 -6.798 0.712 1.00 10.00 N ATOM 225 CA HIS A 17 -5.972 -6.289 1.124 1.00 10.00 C ATOM 226 C HIS A 17 -6.439 -6.948 2.426 1.00 10.00 C ATOM 227 O HIS A 17 -6.903 -6.292 3.355 1.00 10.00 O ATOM 228 CB HIS A 17 -6.987 -6.526 -0.015 1.00 10.00 C ATOM 229 CG HIS A 17 -7.965 -5.394 -0.219 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.353 -4.877 -1.433 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.434 -4.545 0.748 1.00 10.00 C ATOM 232 CE1 HIS A 17 -9.020 -3.735 -1.191 1.00 10.00 C ATOM 233 NE2 HIS A 17 -9.071 -3.465 0.126 1.00 10.00 N ATOM 0 H HIS A 17 -4.639 -7.084 -0.267 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.894 -5.219 1.318 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.441 -6.691 -0.944 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.544 -7.439 0.194 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -8.168 -5.285 -2.349 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.330 -4.686 1.814 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -9.459 -3.113 -1.957 1.00 10.00 H new ATOM 241 N LYS A 18 -6.272 -8.269 2.456 1.00 10.00 N ATOM 242 CA LYS A 18 -6.627 -9.169 3.536 1.00 10.00 C ATOM 243 C LYS A 18 -5.514 -9.251 4.590 1.00 10.00 C ATOM 244 O LYS A 18 -5.732 -8.911 5.748 1.00 10.00 O ATOM 245 CB LYS A 18 -6.948 -10.505 2.862 1.00 10.00 C ATOM 246 CG LYS A 18 -7.540 -11.596 3.761 1.00 10.00 C ATOM 247 CD LYS A 18 -6.459 -12.417 4.483 1.00 10.00 C ATOM 248 CE LYS A 18 -6.940 -13.847 4.762 1.00 10.00 C ATOM 249 NZ LYS A 18 -8.140 -13.862 5.621 1.00 10.00 N ATOM 0 H LYS A 18 -5.856 -8.766 1.669 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.491 -8.822 4.103 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -7.647 -10.317 2.047 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -6.032 -10.891 2.414 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -8.196 -11.136 4.500 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -8.156 -12.263 3.159 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.555 -12.447 3.875 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -6.195 -11.930 5.422 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.161 -14.347 3.819 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -6.141 -14.412 5.243 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.249 -14.804 6.049 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -8.038 -13.150 6.372 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.980 -13.643 5.048 1.00 10.00 H new ATOM 263 N ALA A 19 -4.310 -9.687 4.206 1.00 10.00 N ATOM 264 CA ALA A 19 -3.202 -9.902 5.140 1.00 10.00 C ATOM 265 C ALA A 19 -2.832 -8.655 5.950 1.00 10.00 C ATOM 266 O ALA A 19 -2.518 -8.764 7.133 1.00 10.00 O ATOM 267 CB ALA A 19 -1.988 -10.412 4.370 1.00 10.00 C ATOM 0 H ALA A 19 -4.077 -9.901 3.236 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.535 -10.643 5.867 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -1.161 -10.574 5.061 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -2.238 -11.352 3.877 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.697 -9.676 3.621 1.00 10.00 H new ATOM 273 N HIS A 20 -2.883 -7.462 5.345 1.00 10.00 N ATOM 274 CA HIS A 20 -2.812 -6.238 6.132 1.00 10.00 C ATOM 275 C HIS A 20 -4.024 -6.136 7.071 1.00 10.00 C ATOM 276 O HIS A 20 -3.846 -6.036 8.281 1.00 10.00 O ATOM 277 CB HIS A 20 -2.665 -4.997 5.241 1.00 10.00 C ATOM 278 CG HIS A 20 -1.267 -4.757 4.728 1.00 10.00 C ATOM 279 ND1 HIS A 20 -0.367 -5.748 4.449 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.630 -3.554 4.528 1.00 10.00 C ATOM 281 CE1 HIS A 20 0.768 -5.160 4.054 1.00 10.00 C ATOM 282 NE2 HIS A 20 0.684 -3.814 4.103 1.00 10.00 N ATOM 0 H HIS A 20 -2.971 -7.325 4.338 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.914 -6.280 6.749 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -3.339 -5.095 4.390 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.987 -4.121 5.804 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -1.066 -2.576 4.673 1.00 10.00 H new ATOM 0 HE1 HIS A 20 1.647 -5.699 3.734 1.00 10.00 H new ATOM 0 HE2 HIS A 20 1.413 -3.136 3.881 1.00 10.00 H new ATOM 290 N ALA A 21 -5.251 -6.179 6.537 1.00 10.00 N ATOM 291 CA ALA A 21 -6.489 -6.054 7.311 1.00 10.00 C ATOM 292 C ALA A 21 -6.535 -6.921 8.572 1.00 10.00 C ATOM 293 O ALA A 21 -6.972 -6.442 9.616 1.00 10.00 O ATOM 294 CB ALA A 21 -7.694 -6.380 6.439 1.00 10.00 C ATOM 0 H ALA A 21 -5.412 -6.304 5.538 1.00 10.00 H new ATOM 0 HA ALA A 21 -6.517 -5.016 7.643 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -8.606 -6.283 7.028 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.731 -5.690 5.596 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -7.609 -7.401 6.068 1.00 10.00 H new ATOM 300 N GLU A 22 -6.069 -8.169 8.479 1.00 10.00 N ATOM 301 CA GLU A 22 -5.916 -9.089 9.606 1.00 10.00 C ATOM 302 C GLU A 22 -5.333 -8.408 10.865 1.00 10.00 C ATOM 303 O GLU A 22 -5.726 -8.724 11.986 1.00 10.00 O ATOM 304 CB GLU A 22 -5.045 -10.269 9.150 1.00 10.00 C ATOM 305 CG GLU A 22 -5.754 -11.194 8.142 1.00 10.00 C ATOM 306 CD GLU A 22 -6.834 -12.093 8.732 1.00 10.00 C ATOM 307 OE1 GLU A 22 -6.924 -12.186 9.972 1.00 10.00 O ATOM 308 OE2 GLU A 22 -7.542 -12.699 7.899 1.00 10.00 O ATOM 0 H GLU A 22 -5.780 -8.578 7.591 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.903 -9.443 9.903 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -4.131 -9.884 8.699 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.749 -10.852 10.022 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -6.203 -10.579 7.362 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -5.004 -11.822 7.661 1.00 10.00 H new ATOM 315 N LYS A 23 -4.407 -7.458 10.684 1.00 10.00 N ATOM 316 CA LYS A 23 -3.864 -6.605 11.736 1.00 10.00 C ATOM 317 C LYS A 23 -4.483 -5.194 11.716 1.00 10.00 C ATOM 318 O LYS A 23 -4.868 -4.659 12.751 1.00 10.00 O ATOM 319 CB LYS A 23 -2.348 -6.543 11.530 1.00 10.00 C ATOM 320 CG LYS A 23 -1.688 -7.858 11.958 1.00 10.00 C ATOM 321 CD LYS A 23 -0.202 -7.851 11.581 1.00 10.00 C ATOM 322 CE LYS A 23 0.486 -9.107 12.131 1.00 10.00 C ATOM 323 NZ LYS A 23 1.893 -9.197 11.680 1.00 10.00 N ATOM 0 H LYS A 23 -4.005 -7.259 9.768 1.00 10.00 H new ATOM 0 HA LYS A 23 -4.107 -7.023 12.713 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -2.127 -6.344 10.481 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.931 -5.717 12.106 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -1.797 -7.995 13.034 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.189 -8.698 11.477 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -0.094 -7.812 10.497 1.00 10.00 H new ATOM 0 HD3 LYS A 23 0.279 -6.958 11.981 1.00 10.00 H new ATOM 0 HE2 LYS A 23 0.452 -9.094 13.220 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -0.059 -9.993 11.806 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 2.328 -10.057 12.070 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 1.923 -9.234 10.641 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 2.418 -8.363 12.012 1.00 10.00 H new ATOM 337 N LEU A 24 -4.533 -4.572 10.536 1.00 10.00 N ATOM 338 CA LEU A 24 -4.884 -3.169 10.332 1.00 10.00 C ATOM 339 C LEU A 24 -6.373 -2.828 10.537 1.00 10.00 C ATOM 340 O LEU A 24 -6.716 -1.665 10.733 1.00 10.00 O ATOM 341 CB LEU A 24 -4.459 -2.760 8.916 1.00 10.00 C ATOM 342 CG LEU A 24 -2.956 -2.779 8.596 1.00 10.00 C ATOM 343 CD1 LEU A 24 -2.746 -1.895 7.358 1.00 10.00 C ATOM 344 CD2 LEU A 24 -2.085 -2.257 9.743 1.00 10.00 C ATOM 0 H LEU A 24 -4.321 -5.054 9.662 1.00 10.00 H new ATOM 0 HA LEU A 24 -4.353 -2.609 11.102 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.962 -3.420 8.209 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -4.830 -1.752 8.731 1.00 10.00 H new ATOM 0 HG LEU A 24 -2.653 -3.812 8.428 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -1.688 -1.881 7.096 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -3.321 -2.295 6.523 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -3.079 -0.880 7.575 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -1.036 -2.298 9.451 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -2.359 -1.226 9.968 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -2.240 -2.875 10.628 1.00 10.00 H new ATOM 356 N GLY A 25 -7.274 -3.807 10.448 1.00 10.00 N ATOM 357 CA GLY A 25 -8.686 -3.622 10.776 1.00 10.00 C ATOM 358 C GLY A 25 -9.487 -2.731 9.823 1.00 10.00 C ATOM 359 O GLY A 25 -10.460 -2.118 10.252 1.00 10.00 O ATOM 0 H GLY A 25 -7.043 -4.753 10.145 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -9.162 -4.602 10.811 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -8.753 -3.200 11.779 1.00 10.00 H new ATOM 363 N CYS A 26 -9.092 -2.670 8.543 1.00 10.00 N ATOM 364 CA CYS A 26 -9.671 -1.864 7.457 1.00 10.00 C ATOM 365 C CYS A 26 -9.479 -0.353 7.664 1.00 10.00 C ATOM 366 O CYS A 26 -8.938 0.320 6.787 1.00 10.00 O ATOM 367 CB CYS A 26 -11.129 -2.176 7.221 1.00 10.00 C ATOM 368 SG CYS A 26 -11.564 -3.941 7.143 1.00 10.00 S ATOM 0 H CYS A 26 -8.301 -3.224 8.215 1.00 10.00 H new ATOM 0 HA CYS A 26 -9.114 -2.149 6.564 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.713 -1.713 8.017 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.434 -1.705 6.287 1.00 10.00 H new ATOM 0 HG CYS A 26 -12.842 -4.064 6.939 1.00 10.00 H new ATOM 373 N ASP A 27 -9.921 0.155 8.818 1.00 10.00 N ATOM 374 CA ASP A 27 -9.887 1.528 9.302 1.00 10.00 C ATOM 375 C ASP A 27 -8.598 2.237 8.882 1.00 10.00 C ATOM 376 O ASP A 27 -8.614 3.285 8.237 1.00 10.00 O ATOM 377 CB ASP A 27 -10.045 1.446 10.825 1.00 10.00 C ATOM 378 CG ASP A 27 -9.983 2.814 11.477 1.00 10.00 C ATOM 379 OD1 ASP A 27 -11.063 3.427 11.606 1.00 10.00 O ATOM 380 OD2 ASP A 27 -8.853 3.205 11.838 1.00 10.00 O ATOM 0 H ASP A 27 -10.358 -0.457 9.507 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.690 2.125 8.869 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -10.997 0.972 11.066 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.260 0.812 11.237 1.00 10.00 H new ATOM 385 N ALA A 28 -7.476 1.570 9.158 1.00 10.00 N ATOM 386 CA ALA A 28 -6.133 1.990 8.781 1.00 10.00 C ATOM 387 C ALA A 28 -5.988 2.563 7.358 1.00 10.00 C ATOM 388 O ALA A 28 -5.175 3.458 7.138 1.00 10.00 O ATOM 389 CB ALA A 28 -5.261 0.754 8.900 1.00 10.00 C ATOM 0 H ALA A 28 -7.483 0.688 9.671 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.849 2.811 9.439 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -4.235 1.005 8.629 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -5.286 0.389 9.927 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.634 -0.021 8.230 1.00 10.00 H new ATOM 395 N CYS A 29 -6.728 2.014 6.387 1.00 10.00 N ATOM 396 CA CYS A 29 -6.684 2.416 4.980 1.00 10.00 C ATOM 397 C CYS A 29 -7.996 3.089 4.527 1.00 10.00 C ATOM 398 O CYS A 29 -8.152 3.425 3.353 1.00 10.00 O ATOM 399 CB CYS A 29 -6.436 1.190 4.136 1.00 10.00 C ATOM 400 SG CYS A 29 -4.788 0.419 4.360 1.00 10.00 S ATOM 0 H CYS A 29 -7.390 1.259 6.565 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.882 3.144 4.859 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -7.202 0.449 4.364 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.555 1.459 3.086 1.00 10.00 H new ATOM 0 HG CYS A 29 -4.688 -0.623 3.589 1.00 10.00 H new ATOM 405 N HIS A 30 -8.972 3.245 5.426 1.00 10.00 N ATOM 406 CA HIS A 30 -10.357 3.503 5.066 1.00 10.00 C ATOM 407 C HIS A 30 -11.112 4.212 6.200 1.00 10.00 C ATOM 408 O HIS A 30 -11.485 3.569 7.176 1.00 10.00 O ATOM 409 CB HIS A 30 -11.011 2.148 4.745 1.00 10.00 C ATOM 410 CG HIS A 30 -10.602 1.495 3.455 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.552 2.090 2.225 1.00 10.00 N ATOM 412 CD2 HIS A 30 -10.377 0.165 3.268 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.272 1.133 1.315 1.00 10.00 C ATOM 414 NE2 HIS A 30 -10.153 -0.071 1.900 1.00 10.00 N ATOM 0 H HIS A 30 -8.815 3.194 6.433 1.00 10.00 H new ATOM 0 HA HIS A 30 -10.397 4.166 4.202 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.789 1.460 5.561 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -12.092 2.286 4.730 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -10.371 -0.586 4.044 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.159 1.312 0.256 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -9.945 -0.962 1.450 1.00 10.00 H new ATOM 422 N GLU A 31 -11.403 5.506 6.032 1.00 10.00 N ATOM 423 CA GLU A 31 -12.084 6.340 7.018 1.00 10.00 C ATOM 424 C GLU A 31 -13.510 5.853 7.362 1.00 10.00 C ATOM 425 O GLU A 31 -14.504 6.424 6.909 1.00 10.00 O ATOM 426 CB GLU A 31 -12.106 7.786 6.495 1.00 10.00 C ATOM 427 CG GLU A 31 -10.714 8.443 6.482 1.00 10.00 C ATOM 428 CD GLU A 31 -10.272 8.918 7.862 1.00 10.00 C ATOM 429 OE1 GLU A 31 -10.976 9.797 8.405 1.00 10.00 O ATOM 430 OE2 GLU A 31 -9.235 8.409 8.333 1.00 10.00 O ATOM 0 H GLU A 31 -11.163 6.013 5.180 1.00 10.00 H new ATOM 0 HA GLU A 31 -11.529 6.276 7.954 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -12.515 7.795 5.485 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -12.776 8.381 7.116 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.984 7.730 6.097 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -10.724 9.291 5.797 1.00 10.00 H new ATOM 437 N GLY A 32 -13.625 4.786 8.158 1.00 10.00 N ATOM 438 CA GLY A 32 -14.891 4.173 8.553 1.00 10.00 C ATOM 439 C GLY A 32 -15.568 3.441 7.387 1.00 10.00 C ATOM 440 O GLY A 32 -15.675 2.217 7.388 1.00 10.00 O ATOM 0 H GLY A 32 -12.814 4.313 8.556 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.714 3.470 9.367 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.562 4.942 8.936 1.00 10.00 H new ATOM 444 N THR A 33 -16.020 4.195 6.383 1.00 10.00 N ATOM 445 CA THR A 33 -16.644 3.664 5.170 1.00 10.00 C ATOM 446 C THR A 33 -15.566 3.300 4.139 1.00 10.00 C ATOM 447 O THR A 33 -14.891 4.196 3.632 1.00 10.00 O ATOM 448 CB THR A 33 -17.615 4.699 4.585 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.627 4.967 5.532 1.00 10.00 O ATOM 450 CG2 THR A 33 -18.308 4.183 3.319 1.00 10.00 C ATOM 0 H THR A 33 -15.961 5.213 6.391 1.00 10.00 H new ATOM 0 HA THR A 33 -17.203 2.763 5.422 1.00 10.00 H new ATOM 0 HB THR A 33 -17.034 5.588 4.340 1.00 10.00 H new ATOM 0 HG1 THR A 33 -19.250 5.629 5.166 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.986 4.947 2.938 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.558 3.953 2.562 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.873 3.281 3.555 1.00 10.00 H new ATOM 458 N PRO A 34 -15.382 2.016 3.794 1.00 10.00 N ATOM 459 CA PRO A 34 -14.418 1.617 2.780 1.00 10.00 C ATOM 460 C PRO A 34 -14.928 1.955 1.374 1.00 10.00 C ATOM 461 O PRO A 34 -16.130 1.928 1.118 1.00 10.00 O ATOM 462 CB PRO A 34 -14.251 0.112 2.976 1.00 10.00 C ATOM 463 CG PRO A 34 -15.642 -0.318 3.443 1.00 10.00 C ATOM 464 CD PRO A 34 -16.089 0.855 4.314 1.00 10.00 C ATOM 0 HA PRO A 34 -13.469 2.143 2.878 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.961 -0.388 2.052 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -13.485 -0.118 3.717 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -16.318 -0.478 2.603 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -15.608 -1.250 4.007 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -17.168 0.996 4.259 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.843 0.682 5.362 1.00 10.00 H new ATOM 472 N ALA A 35 -14.008 2.273 0.457 1.00 10.00 N ATOM 473 CA ALA A 35 -14.327 2.702 -0.901 1.00 10.00 C ATOM 474 C ALA A 35 -13.084 2.634 -1.798 1.00 10.00 C ATOM 475 O ALA A 35 -11.963 2.507 -1.298 1.00 10.00 O ATOM 476 CB ALA A 35 -14.883 4.129 -0.863 1.00 10.00 C ATOM 0 H ALA A 35 -13.006 2.238 0.645 1.00 10.00 H new ATOM 0 HA ALA A 35 -15.078 2.032 -1.319 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -15.123 4.453 -1.876 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.785 4.152 -0.252 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -14.137 4.799 -0.434 1.00 10.00 H new ATOM 482 N LYS A 36 -13.274 2.706 -3.121 1.00 10.00 N ATOM 483 CA LYS A 36 -12.169 2.694 -4.075 1.00 10.00 C ATOM 484 C LYS A 36 -11.374 4.010 -4.066 1.00 10.00 C ATOM 485 O LYS A 36 -11.914 5.081 -4.339 1.00 10.00 O ATOM 486 CB LYS A 36 -12.644 2.281 -5.478 1.00 10.00 C ATOM 487 CG LYS A 36 -13.617 3.265 -6.149 1.00 10.00 C ATOM 488 CD LYS A 36 -14.127 2.706 -7.491 1.00 10.00 C ATOM 489 CE LYS A 36 -15.651 2.517 -7.538 1.00 10.00 C ATOM 490 NZ LYS A 36 -16.106 1.385 -6.705 1.00 10.00 N ATOM 0 H LYS A 36 -14.195 2.774 -3.554 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.464 1.929 -3.750 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.771 2.161 -6.120 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -13.126 1.306 -5.410 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -14.461 3.457 -5.486 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.118 4.220 -6.314 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -13.828 3.380 -8.293 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -13.644 1.748 -7.683 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -16.138 3.432 -7.200 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -15.962 2.353 -8.570 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -17.140 1.299 -6.771 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -15.664 0.506 -7.042 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -15.834 1.551 -5.715 1.00 10.00 H new ATOM 504 N ILE A 37 -10.082 3.919 -3.747 1.00 10.00 N ATOM 505 CA ILE A 37 -9.125 5.022 -3.766 1.00 10.00 C ATOM 506 C ILE A 37 -8.260 4.870 -5.022 1.00 10.00 C ATOM 507 O ILE A 37 -7.709 3.799 -5.242 1.00 10.00 O ATOM 508 CB ILE A 37 -8.259 4.950 -2.491 1.00 10.00 C ATOM 509 CG1 ILE A 37 -9.124 5.105 -1.224 1.00 10.00 C ATOM 510 CG2 ILE A 37 -7.165 6.030 -2.519 1.00 10.00 C ATOM 511 CD1 ILE A 37 -8.418 4.582 0.032 1.00 10.00 C ATOM 0 H ILE A 37 -9.658 3.038 -3.457 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.629 5.988 -3.787 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.785 3.969 -2.465 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.375 6.157 -1.085 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -10.063 4.568 -1.360 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.565 5.963 -1.612 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.526 5.878 -3.389 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.628 7.015 -2.576 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -9.069 4.714 0.897 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -8.190 3.523 -0.093 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.492 5.136 0.187 1.00 10.00 H new ATOM 523 N ALA A 38 -8.117 5.908 -5.851 1.00 10.00 N ATOM 524 CA ALA A 38 -7.282 5.802 -7.048 1.00 10.00 C ATOM 525 C ALA A 38 -5.788 5.722 -6.708 1.00 10.00 C ATOM 526 O ALA A 38 -5.191 6.684 -6.216 1.00 10.00 O ATOM 527 CB ALA A 38 -7.577 6.952 -8.007 1.00 10.00 C ATOM 0 H ALA A 38 -8.561 6.817 -5.718 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.536 4.866 -7.545 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.948 6.858 -8.892 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.626 6.920 -8.302 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.369 7.901 -7.512 1.00 10.00 H new ATOM 533 N ILE A 39 -5.190 4.563 -6.987 1.00 10.00 N ATOM 534 CA ILE A 39 -3.779 4.273 -6.760 1.00 10.00 C ATOM 535 C ILE A 39 -2.977 4.414 -8.057 1.00 10.00 C ATOM 536 O ILE A 39 -3.353 3.874 -9.093 1.00 10.00 O ATOM 537 CB ILE A 39 -3.617 2.878 -6.147 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.471 2.721 -4.879 1.00 10.00 C ATOM 539 CG2 ILE A 39 -2.126 2.624 -5.873 1.00 10.00 C ATOM 540 CD1 ILE A 39 -4.101 3.687 -3.744 1.00 10.00 C ATOM 0 H ILE A 39 -5.695 3.775 -7.391 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.382 5.001 -6.052 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.977 2.128 -6.851 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.519 2.870 -5.140 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.376 1.698 -4.515 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -2.000 1.633 -5.436 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.569 2.682 -6.808 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.750 3.376 -5.180 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.752 3.509 -2.888 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -3.064 3.524 -3.451 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -4.225 4.715 -4.086 1.00 10.00 H new ATOM 552 N ASP A 40 -1.877 5.164 -7.972 1.00 10.00 N ATOM 553 CA ASP A 40 -1.014 5.566 -9.069 1.00 10.00 C ATOM 554 C ASP A 40 0.270 6.131 -8.438 1.00 10.00 C ATOM 555 O ASP A 40 0.366 6.276 -7.209 1.00 10.00 O ATOM 556 CB ASP A 40 -1.802 6.611 -9.895 1.00 10.00 C ATOM 557 CG ASP A 40 -1.182 7.054 -11.215 1.00 10.00 C ATOM 558 OD1 ASP A 40 -0.090 7.658 -11.156 1.00 10.00 O ATOM 559 OD2 ASP A 40 -1.829 6.829 -12.256 1.00 10.00 O ATOM 0 H ASP A 40 -1.550 5.526 -7.076 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.729 4.754 -9.739 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.791 6.203 -10.104 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.947 7.495 -9.274 1.00 10.00 H new ATOM 564 N LYS A 41 1.233 6.509 -9.272 1.00 10.00 N ATOM 565 CA LYS A 41 2.496 7.136 -8.921 1.00 10.00 C ATOM 566 C LYS A 41 2.289 8.616 -8.519 1.00 10.00 C ATOM 567 O LYS A 41 2.999 9.514 -8.967 1.00 10.00 O ATOM 568 CB LYS A 41 3.419 6.963 -10.135 1.00 10.00 C ATOM 569 CG LYS A 41 4.869 7.403 -9.886 1.00 10.00 C ATOM 570 CD LYS A 41 5.272 8.482 -10.903 1.00 10.00 C ATOM 571 CE LYS A 41 6.681 9.010 -10.615 1.00 10.00 C ATOM 572 NZ LYS A 41 7.009 10.158 -11.488 1.00 10.00 N ATOM 0 H LYS A 41 1.142 6.375 -10.279 1.00 10.00 H new ATOM 0 HA LYS A 41 2.950 6.670 -8.047 1.00 10.00 H new ATOM 0 HB2 LYS A 41 3.415 5.915 -10.435 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.015 7.535 -10.970 1.00 10.00 H new ATOM 0 HG2 LYS A 41 4.971 7.790 -8.872 1.00 10.00 H new ATOM 0 HG3 LYS A 41 5.537 6.546 -9.969 1.00 10.00 H new ATOM 0 HD2 LYS A 41 5.234 8.069 -11.911 1.00 10.00 H new ATOM 0 HD3 LYS A 41 4.558 9.304 -10.868 1.00 10.00 H new ATOM 0 HE2 LYS A 41 6.753 9.312 -9.570 1.00 10.00 H new ATOM 0 HE3 LYS A 41 7.409 8.214 -10.768 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 7.969 10.496 -11.272 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 6.963 9.861 -12.484 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 6.327 10.925 -11.323 1.00 10.00 H new ATOM 586 N LYS A 42 1.295 8.872 -7.663 1.00 10.00 N ATOM 587 CA LYS A 42 0.734 10.196 -7.404 1.00 10.00 C ATOM 588 C LYS A 42 0.041 10.207 -6.033 1.00 10.00 C ATOM 589 O LYS A 42 0.291 11.093 -5.220 1.00 10.00 O ATOM 590 CB LYS A 42 -0.209 10.559 -8.567 1.00 10.00 C ATOM 591 CG LYS A 42 -0.367 12.072 -8.780 1.00 10.00 C ATOM 592 CD LYS A 42 -1.002 12.309 -10.163 1.00 10.00 C ATOM 593 CE LYS A 42 -1.061 13.789 -10.569 1.00 10.00 C ATOM 594 NZ LYS A 42 -2.128 14.522 -9.857 1.00 10.00 N ATOM 0 H LYS A 42 0.846 8.138 -7.115 1.00 10.00 H new ATOM 0 HA LYS A 42 1.513 10.957 -7.358 1.00 10.00 H new ATOM 0 HB2 LYS A 42 0.169 10.109 -9.485 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -1.190 10.122 -8.378 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -0.993 12.501 -7.998 1.00 10.00 H new ATOM 0 HG3 LYS A 42 0.603 12.566 -8.719 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -0.435 11.758 -10.913 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -2.013 11.900 -10.164 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -0.100 14.259 -10.362 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -1.227 13.863 -11.644 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -2.130 15.516 -10.163 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -3.049 14.091 -10.074 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -1.957 14.475 -8.832 1.00 10.00 H new ATOM 608 N SER A 43 -0.774 9.181 -5.763 1.00 10.00 N ATOM 609 CA SER A 43 -1.279 8.843 -4.430 1.00 10.00 C ATOM 610 C SER A 43 -0.248 8.001 -3.668 1.00 10.00 C ATOM 611 O SER A 43 0.241 8.405 -2.608 1.00 10.00 O ATOM 612 CB SER A 43 -2.614 8.088 -4.562 1.00 10.00 C ATOM 613 OG SER A 43 -3.480 8.749 -5.465 1.00 10.00 O ATOM 0 H SER A 43 -1.109 8.546 -6.487 1.00 10.00 H new ATOM 0 HA SER A 43 -1.449 9.759 -3.865 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.429 7.071 -4.908 1.00 10.00 H new ATOM 0 HB3 SER A 43 -3.091 8.011 -3.585 1.00 10.00 H new ATOM 0 HG SER A 43 -4.142 8.113 -5.808 1.00 10.00 H new ATOM 619 N ALA A 44 0.098 6.826 -4.215 1.00 10.00 N ATOM 620 CA ALA A 44 0.912 5.848 -3.501 1.00 10.00 C ATOM 621 C ALA A 44 2.342 6.354 -3.336 1.00 10.00 C ATOM 622 O ALA A 44 2.873 6.466 -2.235 1.00 10.00 O ATOM 623 CB ALA A 44 0.865 4.494 -4.213 1.00 10.00 C ATOM 0 H ALA A 44 -0.178 6.535 -5.153 1.00 10.00 H new ATOM 0 HA ALA A 44 0.500 5.710 -2.501 1.00 10.00 H new ATOM 0 HB1 ALA A 44 1.477 3.775 -3.668 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -0.165 4.139 -4.251 1.00 10.00 H new ATOM 0 HB3 ALA A 44 1.249 4.603 -5.227 1.00 10.00 H new ATOM 629 N HIS A 45 2.963 6.738 -4.450 1.00 10.00 N ATOM 630 CA HIS A 45 4.311 7.286 -4.424 1.00 10.00 C ATOM 631 C HIS A 45 4.421 8.682 -3.786 1.00 10.00 C ATOM 632 O HIS A 45 5.535 9.205 -3.722 1.00 10.00 O ATOM 633 CB HIS A 45 4.887 7.298 -5.844 1.00 10.00 C ATOM 634 CG HIS A 45 5.776 6.130 -6.178 1.00 10.00 C ATOM 635 ND1 HIS A 45 7.102 6.253 -6.503 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.433 4.805 -6.306 1.00 10.00 C ATOM 637 CE1 HIS A 45 7.550 5.035 -6.828 1.00 10.00 C ATOM 638 NE2 HIS A 45 6.579 4.110 -6.719 1.00 10.00 N ATOM 0 H HIS A 45 2.551 6.678 -5.381 1.00 10.00 H new ATOM 0 HA HIS A 45 4.895 6.630 -3.778 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.061 7.322 -6.555 1.00 10.00 H new ATOM 0 HB3 HIS A 45 5.454 8.219 -5.983 1.00 10.00 H new ATOM 0 HD2 HIS A 45 4.459 4.377 -6.122 1.00 10.00 H new ATOM 0 HE1 HIS A 45 8.562 4.821 -7.138 1.00 10.00 H new ATOM 0 HE2 HIS A 45 6.660 3.109 -6.900 1.00 10.00 H new ATOM 646 N LYS A 46 3.338 9.262 -3.256 1.00 10.00 N ATOM 647 CA LYS A 46 3.434 10.353 -2.290 1.00 10.00 C ATOM 648 C LYS A 46 3.324 9.802 -0.869 1.00 10.00 C ATOM 649 O LYS A 46 4.316 9.764 -0.141 1.00 10.00 O ATOM 650 CB LYS A 46 2.330 11.394 -2.513 1.00 10.00 C ATOM 651 CG LYS A 46 2.673 12.417 -3.598 1.00 10.00 C ATOM 652 CD LYS A 46 1.658 13.560 -3.471 1.00 10.00 C ATOM 653 CE LYS A 46 1.913 14.653 -4.510 1.00 10.00 C ATOM 654 NZ LYS A 46 1.052 15.828 -4.255 1.00 10.00 N ATOM 0 H LYS A 46 2.382 8.989 -3.484 1.00 10.00 H new ATOM 0 HA LYS A 46 4.401 10.837 -2.429 1.00 10.00 H new ATOM 0 HB2 LYS A 46 1.407 10.882 -2.785 1.00 10.00 H new ATOM 0 HB3 LYS A 46 2.140 11.918 -1.576 1.00 10.00 H new ATOM 0 HG2 LYS A 46 3.690 12.788 -3.471 1.00 10.00 H new ATOM 0 HG3 LYS A 46 2.621 11.963 -4.587 1.00 10.00 H new ATOM 0 HD2 LYS A 46 0.649 13.167 -3.594 1.00 10.00 H new ATOM 0 HD3 LYS A 46 1.713 13.988 -2.470 1.00 10.00 H new ATOM 0 HE2 LYS A 46 2.961 14.951 -4.482 1.00 10.00 H new ATOM 0 HE3 LYS A 46 1.719 14.264 -5.510 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 1.240 16.558 -4.971 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 0.053 15.544 -4.305 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 1.256 16.209 -3.309 1.00 10.00 H new ATOM 668 N ASP A 47 2.100 9.427 -0.491 1.00 10.00 N ATOM 669 CA ASP A 47 1.695 9.289 0.896 1.00 10.00 C ATOM 670 C ASP A 47 1.114 7.897 1.161 1.00 10.00 C ATOM 671 O ASP A 47 1.665 7.144 1.967 1.00 10.00 O ATOM 672 CB ASP A 47 0.723 10.430 1.223 1.00 10.00 C ATOM 673 CG ASP A 47 0.457 10.525 2.717 1.00 10.00 C ATOM 674 OD1 ASP A 47 0.052 9.489 3.283 1.00 10.00 O ATOM 675 OD2 ASP A 47 0.672 11.630 3.254 1.00 10.00 O ATOM 0 H ASP A 47 1.357 9.209 -1.155 1.00 10.00 H new ATOM 0 HA ASP A 47 2.554 9.371 1.562 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.135 11.374 0.865 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -0.217 10.271 0.694 1.00 10.00 H new ATOM 680 N ALA A 48 0.034 7.542 0.449 1.00 10.00 N ATOM 681 CA ALA A 48 -0.637 6.265 0.651 1.00 10.00 C ATOM 682 C ALA A 48 0.368 5.107 0.570 1.00 10.00 C ATOM 683 O ALA A 48 1.186 5.045 -0.345 1.00 10.00 O ATOM 684 CB ALA A 48 -1.788 6.114 -0.349 1.00 10.00 C ATOM 0 H ALA A 48 -0.388 8.128 -0.271 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.068 6.237 1.652 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.284 5.156 -0.191 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.505 6.922 -0.204 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.395 6.156 -1.365 1.00 10.00 H new ATOM 690 N CYS A 49 0.363 4.223 1.570 1.00 10.00 N ATOM 691 CA CYS A 49 1.288 3.093 1.672 1.00 10.00 C ATOM 692 C CYS A 49 2.706 3.522 2.043 1.00 10.00 C ATOM 693 O CYS A 49 3.198 3.134 3.102 1.00 10.00 O ATOM 694 CB CYS A 49 1.239 2.200 0.454 1.00 10.00 C ATOM 695 SG CYS A 49 -0.508 1.809 0.137 1.00 10.00 S ATOM 0 H CYS A 49 -0.297 4.274 2.346 1.00 10.00 H new ATOM 0 HA CYS A 49 0.940 2.484 2.506 1.00 10.00 H new ATOM 0 HB2 CYS A 49 1.683 2.700 -0.407 1.00 10.00 H new ATOM 0 HB3 CYS A 49 1.812 1.288 0.623 1.00 10.00 H new ATOM 0 HG CYS A 49 -0.598 1.041 -0.908 1.00 10.00 H new ATOM 700 N LYS A 50 3.370 4.338 1.217 1.00 10.00 N ATOM 701 CA LYS A 50 4.696 4.827 1.557 1.00 10.00 C ATOM 702 C LYS A 50 4.791 5.369 2.993 1.00 10.00 C ATOM 703 O LYS A 50 5.654 4.927 3.739 1.00 10.00 O ATOM 704 CB LYS A 50 5.164 5.893 0.571 1.00 10.00 C ATOM 705 CG LYS A 50 5.685 5.336 -0.761 1.00 10.00 C ATOM 706 CD LYS A 50 6.805 6.217 -1.352 1.00 10.00 C ATOM 707 CE LYS A 50 6.530 7.715 -1.147 1.00 10.00 C ATOM 708 NZ LYS A 50 7.366 8.572 -2.013 1.00 10.00 N ATOM 0 H LYS A 50 3.010 4.666 0.321 1.00 10.00 H new ATOM 0 HA LYS A 50 5.355 3.961 1.492 1.00 10.00 H new ATOM 0 HB2 LYS A 50 4.336 6.572 0.368 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.953 6.482 1.038 1.00 10.00 H new ATOM 0 HG2 LYS A 50 6.060 4.324 -0.610 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.862 5.268 -1.473 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.755 5.956 -0.886 1.00 10.00 H new ATOM 0 HD3 LYS A 50 6.905 6.010 -2.417 1.00 10.00 H new ATOM 0 HE2 LYS A 50 5.478 7.918 -1.349 1.00 10.00 H new ATOM 0 HE3 LYS A 50 6.710 7.974 -0.104 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 7.936 9.211 -1.423 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 7.996 7.976 -2.586 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 6.755 9.133 -2.640 1.00 10.00 H new ATOM 722 N THR A 51 3.944 6.321 3.392 1.00 10.00 N ATOM 723 CA THR A 51 4.079 6.979 4.699 1.00 10.00 C ATOM 724 C THR A 51 3.851 6.036 5.891 1.00 10.00 C ATOM 725 O THR A 51 4.495 6.201 6.925 1.00 10.00 O ATOM 726 CB THR A 51 3.255 8.274 4.750 1.00 10.00 C ATOM 727 OG1 THR A 51 3.886 9.186 3.874 1.00 10.00 O ATOM 728 CG2 THR A 51 3.254 8.925 6.133 1.00 10.00 C ATOM 0 H THR A 51 3.159 6.654 2.833 1.00 10.00 H new ATOM 0 HA THR A 51 5.123 7.272 4.807 1.00 10.00 H new ATOM 0 HB THR A 51 2.225 8.035 4.486 1.00 10.00 H new ATOM 0 HG1 THR A 51 3.392 10.032 3.872 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.656 9.836 6.106 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.830 8.233 6.860 1.00 10.00 H new ATOM 0 HG23 THR A 51 4.276 9.171 6.420 1.00 10.00 H new ATOM 736 N CYS A 52 3.024 4.992 5.743 1.00 10.00 N ATOM 737 CA CYS A 52 3.061 3.858 6.676 1.00 10.00 C ATOM 738 C CYS A 52 4.460 3.244 6.686 1.00 10.00 C ATOM 739 O CYS A 52 5.139 3.184 7.712 1.00 10.00 O ATOM 740 CB CYS A 52 2.091 2.784 6.266 1.00 10.00 C ATOM 741 SG CYS A 52 0.454 3.014 6.988 1.00 10.00 S ATOM 0 H CYS A 52 2.332 4.909 4.999 1.00 10.00 H new ATOM 0 HA CYS A 52 2.792 4.235 7.663 1.00 10.00 H new ATOM 0 HB2 CYS A 52 2.006 2.772 5.179 1.00 10.00 H new ATOM 0 HB3 CYS A 52 2.483 1.812 6.566 1.00 10.00 H new ATOM 0 HG CYS A 52 -0.333 2.057 6.593 1.00 10.00 H new ATOM 746 N HIS A 53 4.912 2.833 5.502 1.00 10.00 N ATOM 747 CA HIS A 53 6.215 2.237 5.253 1.00 10.00 C ATOM 748 C HIS A 53 7.407 3.222 5.414 1.00 10.00 C ATOM 749 O HIS A 53 8.406 3.129 4.699 1.00 10.00 O ATOM 750 CB HIS A 53 6.118 1.633 3.849 1.00 10.00 C ATOM 751 CG HIS A 53 5.379 0.323 3.804 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.999 -0.872 4.001 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.043 0.065 3.597 1.00 10.00 C ATOM 754 CE1 HIS A 53 5.074 -1.823 3.867 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.841 -1.331 3.668 1.00 10.00 N ATOM 0 H HIS A 53 4.351 2.912 4.654 1.00 10.00 H new ATOM 0 HA HIS A 53 6.440 1.479 6.003 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.619 2.344 3.191 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.124 1.486 3.456 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.278 0.805 3.412 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.294 -2.879 3.914 1.00 10.00 H new ATOM 0 HE2 HIS A 53 2.964 -1.845 3.587 1.00 10.00 H new ATOM 763 N LYS A 54 7.321 4.145 6.375 1.00 10.00 N ATOM 764 CA LYS A 54 8.324 5.118 6.764 1.00 10.00 C ATOM 765 C LYS A 54 8.329 5.339 8.288 1.00 10.00 C ATOM 766 O LYS A 54 8.953 6.288 8.760 1.00 10.00 O ATOM 767 CB LYS A 54 8.003 6.423 6.062 1.00 10.00 C ATOM 768 CG LYS A 54 8.441 6.432 4.601 1.00 10.00 C ATOM 769 CD LYS A 54 8.751 7.898 4.322 1.00 10.00 C ATOM 770 CE LYS A 54 8.918 8.242 2.844 1.00 10.00 C ATOM 771 NZ LYS A 54 9.144 9.696 2.689 1.00 10.00 N ATOM 0 H LYS A 54 6.477 4.231 6.942 1.00 10.00 H new ATOM 0 HA LYS A 54 9.311 4.752 6.481 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.930 6.605 6.116 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.492 7.243 6.588 1.00 10.00 H new ATOM 0 HG2 LYS A 54 9.316 5.801 4.442 1.00 10.00 H new ATOM 0 HG3 LYS A 54 7.655 6.058 3.946 1.00 10.00 H new ATOM 0 HD2 LYS A 54 7.950 8.510 4.736 1.00 10.00 H new ATOM 0 HD3 LYS A 54 9.665 8.169 4.850 1.00 10.00 H new ATOM 0 HE2 LYS A 54 9.758 7.688 2.425 1.00 10.00 H new ATOM 0 HE3 LYS A 54 8.029 7.942 2.289 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 9.257 9.924 1.681 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 8.330 10.217 3.073 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 10.005 9.970 3.205 1.00 10.00 H new ATOM 859 N LYS A 61 13.536 0.829 -0.276 1.00 10.00 N ATOM 860 CA LYS A 61 14.063 0.187 -1.476 1.00 10.00 C ATOM 861 C LYS A 61 12.918 -0.271 -2.383 1.00 10.00 C ATOM 862 O LYS A 61 11.909 -0.787 -1.904 1.00 10.00 O ATOM 863 CB LYS A 61 14.940 -1.015 -1.084 1.00 10.00 C ATOM 864 CG LYS A 61 16.277 -1.101 -1.834 1.00 10.00 C ATOM 865 CD LYS A 61 17.251 -0.011 -1.351 1.00 10.00 C ATOM 866 CE LYS A 61 18.687 -0.231 -1.842 1.00 10.00 C ATOM 867 NZ LYS A 61 19.342 -1.363 -1.148 1.00 10.00 N ATOM 0 HA LYS A 61 14.671 0.909 -2.022 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.141 -0.968 -0.014 1.00 10.00 H new ATOM 0 HB3 LYS A 61 14.378 -1.932 -1.263 1.00 10.00 H new ATOM 0 HG2 LYS A 61 16.721 -2.085 -1.681 1.00 10.00 H new ATOM 0 HG3 LYS A 61 16.105 -0.992 -2.905 1.00 10.00 H new ATOM 0 HD2 LYS A 61 16.900 0.961 -1.696 1.00 10.00 H new ATOM 0 HD3 LYS A 61 17.246 0.017 -0.261 1.00 10.00 H new ATOM 0 HE2 LYS A 61 18.678 -0.420 -2.916 1.00 10.00 H new ATOM 0 HE3 LYS A 61 19.268 0.677 -1.683 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 20.336 -1.425 -1.447 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 19.298 -1.212 -0.120 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 18.852 -2.248 -1.389 1.00 10.00 H new ATOM 881 N CYS A 62 13.091 -0.113 -3.696 1.00 10.00 N ATOM 882 CA CYS A 62 12.088 -0.481 -4.700 1.00 10.00 C ATOM 883 C CYS A 62 11.683 -1.951 -4.559 1.00 10.00 C ATOM 884 O CYS A 62 10.497 -2.267 -4.482 1.00 10.00 O ATOM 885 CB CYS A 62 12.595 -0.197 -6.094 1.00 10.00 C ATOM 886 SG CYS A 62 13.442 1.409 -6.223 1.00 10.00 S ATOM 0 H CYS A 62 13.942 0.279 -4.099 1.00 10.00 H new ATOM 0 HA CYS A 62 11.202 0.130 -4.529 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.280 -0.989 -6.395 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.758 -0.218 -6.792 1.00 10.00 H new ATOM 0 HG CYS A 62 13.852 1.586 -7.444 1.00 10.00 H new ATOM 891 N GLY A 63 12.691 -2.826 -4.468 1.00 10.00 N ATOM 892 CA GLY A 63 12.563 -4.267 -4.263 1.00 10.00 C ATOM 893 C GLY A 63 11.632 -4.667 -3.109 1.00 10.00 C ATOM 894 O GLY A 63 11.010 -5.723 -3.157 1.00 10.00 O ATOM 0 H GLY A 63 13.665 -2.530 -4.539 1.00 10.00 H new ATOM 0 HA2 GLY A 63 12.195 -4.721 -5.183 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.553 -4.684 -4.076 1.00 10.00 H new ATOM 898 N GLY A 64 11.522 -3.829 -2.071 1.00 10.00 N ATOM 899 CA GLY A 64 10.599 -4.070 -0.963 1.00 10.00 C ATOM 900 C GLY A 64 9.129 -4.095 -1.404 1.00 10.00 C ATOM 901 O GLY A 64 8.301 -4.726 -0.752 1.00 10.00 O ATOM 0 H GLY A 64 12.067 -2.972 -1.978 1.00 10.00 H new ATOM 0 HA2 GLY A 64 10.847 -5.020 -0.490 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.734 -3.294 -0.209 1.00 10.00 H new ATOM 905 N CYS A 65 8.811 -3.410 -2.509 1.00 10.00 N ATOM 906 CA CYS A 65 7.477 -3.371 -3.100 1.00 10.00 C ATOM 907 C CYS A 65 7.456 -4.084 -4.456 1.00 10.00 C ATOM 908 O CYS A 65 6.705 -5.035 -4.651 1.00 10.00 O ATOM 909 CB CYS A 65 7.034 -1.935 -3.236 1.00 10.00 C ATOM 910 SG CYS A 65 6.679 -1.198 -1.611 1.00 10.00 S ATOM 0 H CYS A 65 9.494 -2.856 -3.026 1.00 10.00 H new ATOM 0 HA CYS A 65 6.782 -3.898 -2.446 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.811 -1.358 -3.738 1.00 10.00 H new ATOM 0 HB3 CYS A 65 6.144 -1.884 -3.863 1.00 10.00 H new ATOM 0 HG CYS A 65 6.303 0.037 -1.767 1.00 10.00 H new ATOM 915 N HIS A 66 8.254 -3.608 -5.410 1.00 10.00 N ATOM 916 CA HIS A 66 8.247 -4.088 -6.782 1.00 10.00 C ATOM 917 C HIS A 66 9.124 -5.339 -6.948 1.00 10.00 C ATOM 918 O HIS A 66 10.314 -5.277 -6.647 1.00 10.00 O ATOM 919 CB HIS A 66 8.753 -2.954 -7.678 1.00 10.00 C ATOM 920 CG HIS A 66 7.832 -1.781 -7.735 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.809 -1.630 -8.625 1.00 10.00 N ATOM 922 CD2 HIS A 66 7.976 -0.602 -7.069 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.347 -0.373 -8.514 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.027 0.301 -7.574 1.00 10.00 N ATOM 0 H HIS A 66 8.933 -2.866 -5.244 1.00 10.00 H new ATOM 0 HA HIS A 66 7.234 -4.375 -7.062 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.727 -2.624 -7.316 1.00 10.00 H new ATOM 0 HB3 HIS A 66 8.901 -3.338 -8.687 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.457 -2.345 -9.262 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.694 -0.397 -6.289 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.539 0.038 -9.101 1.00 10.00 H new ATOM 932 N ILE A 67 8.590 -6.440 -7.489 1.00 10.00 N ATOM 933 CA ILE A 67 9.418 -7.610 -7.814 1.00 10.00 C ATOM 934 C ILE A 67 10.566 -7.221 -8.764 1.00 10.00 C ATOM 935 O ILE A 67 10.328 -6.684 -9.845 1.00 10.00 O ATOM 936 CB ILE A 67 8.572 -8.768 -8.382 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.428 -9.105 -7.410 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.467 -9.996 -8.626 1.00 10.00 C ATOM 939 CD1 ILE A 67 6.727 -10.440 -7.686 1.00 10.00 C ATOM 0 H ILE A 67 7.600 -6.547 -7.709 1.00 10.00 H new ATOM 0 HA ILE A 67 9.863 -7.972 -6.887 1.00 10.00 H new ATOM 0 HB ILE A 67 8.135 -8.467 -9.334 1.00 10.00 H new ATOM 0 HG12 ILE A 67 7.825 -9.121 -6.395 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.688 -8.306 -7.450 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.865 -10.811 -9.027 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.251 -9.739 -9.339 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.920 -10.309 -7.685 1.00 10.00 H new ATOM 0 HD11 ILE A 67 5.936 -10.594 -6.952 1.00 10.00 H new ATOM 0 HD12 ILE A 67 6.296 -10.424 -8.687 1.00 10.00 H new ATOM 0 HD13 ILE A 67 7.450 -11.252 -7.615 1.00 10.00 H new ATOM 951 N LYS A 68 11.810 -7.475 -8.349 1.00 10.00 N ATOM 952 CA LYS A 68 13.040 -7.091 -9.026 1.00 10.00 C ATOM 953 C LYS A 68 14.183 -8.006 -8.569 1.00 10.00 C ATOM 954 O LYS A 68 13.978 -8.737 -7.575 1.00 10.00 O ATOM 955 CB LYS A 68 13.365 -5.623 -8.690 1.00 10.00 C ATOM 956 CG LYS A 68 13.128 -4.687 -9.879 1.00 10.00 C ATOM 957 CD LYS A 68 14.152 -4.828 -11.022 1.00 10.00 C ATOM 958 CE LYS A 68 15.606 -4.583 -10.581 1.00 10.00 C ATOM 959 NZ LYS A 68 16.317 -5.846 -10.279 1.00 10.00 N ATOM 960 OXT LYS A 68 15.260 -7.911 -9.200 1.00 10.00 O ATOM 0 H LYS A 68 11.990 -7.983 -7.483 1.00 10.00 H new ATOM 0 HA LYS A 68 12.918 -7.193 -10.104 1.00 10.00 H new ATOM 0 HB2 LYS A 68 12.751 -5.301 -7.849 1.00 10.00 H new ATOM 0 HB3 LYS A 68 14.405 -5.547 -8.373 1.00 10.00 H new ATOM 0 HG2 LYS A 68 12.131 -4.873 -10.278 1.00 10.00 H new ATOM 0 HG3 LYS A 68 13.142 -3.657 -9.522 1.00 10.00 H new ATOM 0 HD2 LYS A 68 14.074 -5.829 -11.447 1.00 10.00 H new ATOM 0 HD3 LYS A 68 13.898 -4.124 -11.815 1.00 10.00 H new ATOM 0 HE2 LYS A 68 16.138 -4.048 -11.368 1.00 10.00 H new ATOM 0 HE3 LYS A 68 15.614 -3.943 -9.699 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 17.113 -5.652 -9.639 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 15.662 -6.513 -9.824 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 16.676 -6.262 -11.162 1.00 10.00 H new