USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=19 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 51 THR OG1 : rot 176:sc= 1.53 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -156:sc= 1.88 (180deg=0.973) USER MOD Set 2.1: A 45 HIS : no HD1:sc= -0.712 K(o=0.4,f=-1!) USER MOD Set 2.2: A 66 HIS : no HE2:sc= 1.12 K(o=0.4,f=-4.8!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= 0 X(o=-0.65,f=-0.65) USER MOD Set 3.2: A 30 HIS : no HD1:sc= -0.655 X(o=-0.65,f=-0.52) USER MOD Set 4.1: A 20 HIS : no HE2:sc= 0.568 K(o=0.57,f=-4.6!) USER MOD Set 4.2: A 53 HIS : no HD1:sc= 0 X(o=0.57,f=0.57) USER MOD Set 5.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 64:sc= 0.551 USER MOD Single : A 8 ASN : amide:sc= 0.748 K(o=0.75,f=-2.8!) USER MOD Single : A 12 ASN : amide:sc= -0.676 K(o=-0.68,f=-3.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -164:sc= -0.85 (180deg=-1.44) 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 -110:sc= 0.226 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= 1.23 (180deg=0.878) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0.142 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -144:sc= 0.443 (180deg=-1.53!) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -9.520 -9.271 -1.313 1.00 10.00 N ATOM 14 CA ASP A 2 -8.434 -9.902 -0.559 1.00 10.00 C ATOM 15 C ASP A 2 -7.038 -9.558 -1.154 1.00 10.00 C ATOM 16 O ASP A 2 -6.712 -8.387 -1.365 1.00 10.00 O ATOM 17 CB ASP A 2 -8.761 -11.398 -0.529 1.00 10.00 C ATOM 18 CG ASP A 2 -8.699 -11.969 -1.928 1.00 10.00 C ATOM 19 OD1 ASP A 2 -9.555 -11.556 -2.741 1.00 10.00 O ATOM 20 OD2 ASP A 2 -7.712 -12.699 -2.155 1.00 10.00 O ATOM 0 HA ASP A 2 -8.367 -9.524 0.461 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -8.055 -11.920 0.117 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -9.754 -11.553 -0.108 1.00 10.00 H new ATOM 25 N VAL A 3 -6.152 -10.532 -1.378 1.00 10.00 N ATOM 26 CA VAL A 3 -4.745 -10.239 -1.669 1.00 10.00 C ATOM 27 C VAL A 3 -4.537 -9.763 -3.114 1.00 10.00 C ATOM 28 O VAL A 3 -4.144 -10.522 -3.997 1.00 10.00 O ATOM 29 CB VAL A 3 -3.847 -11.418 -1.251 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.367 -11.101 -1.514 1.00 10.00 C ATOM 31 CG2 VAL A 3 -4.007 -11.693 0.252 1.00 10.00 C ATOM 0 H VAL A 3 -6.382 -11.526 -1.364 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.433 -9.391 -1.059 1.00 10.00 H new ATOM 0 HB VAL A 3 -4.149 -12.286 -1.837 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.754 -11.949 -1.210 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.219 -10.908 -2.577 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -2.076 -10.220 -0.942 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.368 -12.528 0.539 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.720 -10.806 0.817 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -5.046 -11.940 0.468 1.00 10.00 H new ATOM 41 N VAL A 4 -4.802 -8.474 -3.351 1.00 10.00 N ATOM 42 CA VAL A 4 -4.620 -7.863 -4.672 1.00 10.00 C ATOM 43 C VAL A 4 -3.133 -7.663 -5.053 1.00 10.00 C ATOM 44 O VAL A 4 -2.341 -7.105 -4.295 1.00 10.00 O ATOM 45 CB VAL A 4 -5.395 -6.538 -4.777 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.512 -6.129 -6.253 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.813 -6.620 -4.198 1.00 10.00 C ATOM 0 H VAL A 4 -5.146 -7.829 -2.639 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.030 -8.570 -5.394 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.834 -5.806 -4.196 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.061 -5.190 -6.328 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.515 -6.001 -6.675 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.043 -6.905 -6.805 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.305 -5.653 -4.303 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.382 -7.378 -4.736 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.760 -6.887 -3.143 1.00 10.00 H new ATOM 57 N THR A 5 -2.762 -8.049 -6.275 1.00 10.00 N ATOM 58 CA THR A 5 -1.448 -7.788 -6.871 1.00 10.00 C ATOM 59 C THR A 5 -1.615 -6.882 -8.095 1.00 10.00 C ATOM 60 O THR A 5 -2.558 -7.053 -8.858 1.00 10.00 O ATOM 61 CB THR A 5 -0.754 -9.128 -7.185 1.00 10.00 C ATOM 62 OG1 THR A 5 0.069 -9.493 -6.098 1.00 10.00 O ATOM 63 CG2 THR A 5 0.121 -9.122 -8.437 1.00 10.00 C ATOM 0 H THR A 5 -3.384 -8.567 -6.896 1.00 10.00 H new ATOM 0 HA THR A 5 -0.800 -7.256 -6.175 1.00 10.00 H new ATOM 0 HB THR A 5 -1.565 -9.834 -7.362 1.00 10.00 H new ATOM 0 HG1 THR A 5 0.511 -10.346 -6.294 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.566 -10.107 -8.575 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.489 -8.875 -9.306 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.911 -8.380 -8.325 1.00 10.00 H new ATOM 71 N TYR A 6 -0.728 -5.886 -8.230 1.00 10.00 N ATOM 72 CA TYR A 6 -0.702 -4.924 -9.331 1.00 10.00 C ATOM 73 C TYR A 6 0.571 -5.136 -10.143 1.00 10.00 C ATOM 74 O TYR A 6 1.660 -4.911 -9.611 1.00 10.00 O ATOM 75 CB TYR A 6 -0.705 -3.486 -8.793 1.00 10.00 C ATOM 76 CG TYR A 6 -2.076 -2.920 -8.470 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.918 -3.616 -7.586 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.439 -1.627 -8.895 1.00 10.00 C ATOM 79 CE1 TYR A 6 -4.054 -2.988 -7.053 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.596 -1.010 -8.380 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.400 -1.690 -7.448 1.00 10.00 C ATOM 82 OH TYR A 6 -5.266 -1.004 -6.655 1.00 10.00 O ATOM 0 H TYR A 6 0.015 -5.726 -7.550 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.586 -5.076 -9.950 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -0.093 -3.451 -7.891 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.226 -2.839 -9.528 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.690 -4.637 -7.316 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.828 -1.107 -9.618 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.666 -3.510 -6.332 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.866 -0.015 -8.701 1.00 10.00 H new ATOM 0 HH TYR A 6 -4.855 -0.851 -5.778 1.00 10.00 H new ATOM 92 N GLU A 7 0.418 -5.588 -11.389 1.00 10.00 N ATOM 93 CA GLU A 7 1.463 -6.062 -12.284 1.00 10.00 C ATOM 94 C GLU A 7 1.891 -4.965 -13.268 1.00 10.00 C ATOM 95 O GLU A 7 1.175 -4.646 -14.214 1.00 10.00 O ATOM 96 CB GLU A 7 0.947 -7.326 -12.993 1.00 10.00 C ATOM 97 CG GLU A 7 0.208 -8.269 -12.016 1.00 10.00 C ATOM 98 CD GLU A 7 -1.310 -8.126 -12.072 1.00 10.00 C ATOM 99 OE1 GLU A 7 -1.764 -6.960 -12.070 1.00 10.00 O ATOM 100 OE2 GLU A 7 -1.972 -9.184 -12.096 1.00 10.00 O ATOM 0 H GLU A 7 -0.503 -5.634 -11.824 1.00 10.00 H new ATOM 0 HA GLU A 7 2.360 -6.316 -11.720 1.00 10.00 H new ATOM 0 HB2 GLU A 7 0.274 -7.040 -13.802 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.784 -7.856 -13.447 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.478 -9.300 -12.243 1.00 10.00 H new ATOM 0 HG3 GLU A 7 0.548 -8.067 -11.000 1.00 10.00 H new ATOM 107 N ASN A 8 3.064 -4.372 -13.024 1.00 10.00 N ATOM 108 CA ASN A 8 3.502 -3.121 -13.639 1.00 10.00 C ATOM 109 C ASN A 8 4.896 -3.317 -14.236 1.00 10.00 C ATOM 110 O ASN A 8 5.663 -4.150 -13.748 1.00 10.00 O ATOM 111 CB ASN A 8 3.496 -1.998 -12.585 1.00 10.00 C ATOM 112 CG ASN A 8 2.666 -2.350 -11.361 1.00 10.00 C ATOM 113 OD1 ASN A 8 1.445 -2.290 -11.377 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.308 -2.811 -10.299 1.00 10.00 N ATOM 0 H ASN A 8 3.750 -4.761 -12.377 1.00 10.00 H new ATOM 0 HA ASN A 8 2.821 -2.835 -14.440 1.00 10.00 H new ATOM 0 HB2 ASN A 8 4.520 -1.788 -12.277 1.00 10.00 H new ATOM 0 HB3 ASN A 8 3.105 -1.085 -13.034 1.00 10.00 H new ATOM 0 HD21 ASN A 8 2.784 -3.121 -9.481 1.00 10.00 H new ATOM 0 HD22 ASN A 8 4.327 -2.856 -10.299 1.00 10.00 H new ATOM 121 N ALA A 9 5.259 -2.542 -15.260 1.00 10.00 N ATOM 122 CA ALA A 9 6.519 -2.745 -15.976 1.00 10.00 C ATOM 123 C ALA A 9 7.748 -2.551 -15.074 1.00 10.00 C ATOM 124 O ALA A 9 8.818 -3.091 -15.342 1.00 10.00 O ATOM 125 CB ALA A 9 6.567 -1.817 -17.188 1.00 10.00 C ATOM 0 H ALA A 9 4.697 -1.767 -15.612 1.00 10.00 H new ATOM 0 HA ALA A 9 6.554 -3.781 -16.312 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.505 -1.966 -17.723 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.731 -2.041 -17.851 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.500 -0.781 -16.856 1.00 10.00 H new ATOM 131 N ALA A 10 7.582 -1.801 -13.982 1.00 10.00 N ATOM 132 CA ALA A 10 8.614 -1.576 -12.977 1.00 10.00 C ATOM 133 C ALA A 10 8.826 -2.771 -12.027 1.00 10.00 C ATOM 134 O ALA A 10 9.783 -2.755 -11.257 1.00 10.00 O ATOM 135 CB ALA A 10 8.240 -0.318 -12.187 1.00 10.00 C ATOM 0 H ALA A 10 6.705 -1.324 -13.771 1.00 10.00 H new ATOM 0 HA ALA A 10 9.565 -1.449 -13.494 1.00 10.00 H new ATOM 0 HB1 ALA A 10 8.998 -0.127 -11.427 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.183 0.534 -12.865 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.273 -0.464 -11.706 1.00 10.00 H new ATOM 141 N GLY A 11 7.926 -3.764 -12.025 1.00 10.00 N ATOM 142 CA GLY A 11 7.851 -4.797 -10.988 1.00 10.00 C ATOM 143 C GLY A 11 6.461 -4.796 -10.363 1.00 10.00 C ATOM 144 O GLY A 11 5.950 -3.719 -10.042 1.00 10.00 O ATOM 0 H GLY A 11 7.221 -3.872 -12.754 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.066 -5.775 -11.419 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.605 -4.613 -10.222 1.00 10.00 H new ATOM 148 N ASN A 12 5.834 -5.963 -10.166 1.00 10.00 N ATOM 149 CA ASN A 12 4.583 -6.010 -9.407 1.00 10.00 C ATOM 150 C ASN A 12 4.825 -5.623 -7.944 1.00 10.00 C ATOM 151 O ASN A 12 5.966 -5.607 -7.495 1.00 10.00 O ATOM 152 CB ASN A 12 3.809 -7.338 -9.496 1.00 10.00 C ATOM 153 CG ASN A 12 4.273 -8.300 -10.587 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.460 -8.570 -10.733 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.354 -8.865 -11.353 1.00 10.00 N ATOM 0 H ASN A 12 6.163 -6.864 -10.512 1.00 10.00 H new ATOM 0 HA ASN A 12 3.936 -5.276 -9.887 1.00 10.00 H new ATOM 0 HB2 ASN A 12 3.882 -7.845 -8.534 1.00 10.00 H new ATOM 0 HB3 ASN A 12 2.755 -7.113 -9.659 1.00 10.00 H new ATOM 0 HD21 ASN A 12 3.630 -9.532 -12.073 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.369 -8.633 -11.223 1.00 10.00 H new ATOM 162 N VAL A 13 3.759 -5.289 -7.216 1.00 10.00 N ATOM 163 CA VAL A 13 3.882 -4.634 -5.909 1.00 10.00 C ATOM 164 C VAL A 13 3.463 -5.490 -4.696 1.00 10.00 C ATOM 165 O VAL A 13 4.053 -5.371 -3.626 1.00 10.00 O ATOM 166 CB VAL A 13 3.121 -3.308 -5.989 1.00 10.00 C ATOM 167 CG1 VAL A 13 1.623 -3.507 -5.768 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.649 -2.287 -4.984 1.00 10.00 C ATOM 0 H VAL A 13 2.797 -5.461 -7.509 1.00 10.00 H new ATOM 0 HA VAL A 13 4.941 -4.466 -5.714 1.00 10.00 H new ATOM 0 HB VAL A 13 3.283 -2.922 -6.995 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.115 -2.545 -5.832 1.00 10.00 H new ATOM 0 HG12 VAL A 13 1.228 -4.177 -6.532 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.455 -3.941 -4.782 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.082 -1.361 -5.074 1.00 10.00 H new ATOM 0 HG22 VAL A 13 3.541 -2.682 -3.974 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.702 -2.089 -5.186 1.00 10.00 H new ATOM 178 N THR A 14 2.405 -6.297 -4.841 1.00 10.00 N ATOM 179 CA THR A 14 1.655 -6.914 -3.742 1.00 10.00 C ATOM 180 C THR A 14 1.060 -5.868 -2.794 1.00 10.00 C ATOM 181 O THR A 14 1.728 -5.308 -1.926 1.00 10.00 O ATOM 182 CB THR A 14 2.454 -8.025 -3.032 1.00 10.00 C ATOM 183 OG1 THR A 14 2.266 -9.217 -3.763 1.00 10.00 O ATOM 184 CG2 THR A 14 1.991 -8.349 -1.607 1.00 10.00 C ATOM 0 H THR A 14 2.035 -6.546 -5.758 1.00 10.00 H new ATOM 0 HA THR A 14 0.799 -7.425 -4.183 1.00 10.00 H new ATOM 0 HB THR A 14 3.481 -7.664 -2.979 1.00 10.00 H new ATOM 0 HG1 THR A 14 2.765 -9.945 -3.336 1.00 10.00 H new ATOM 0 HG21 THR A 14 2.614 -9.142 -1.193 1.00 10.00 H new ATOM 0 HG22 THR A 14 2.077 -7.458 -0.985 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.952 -8.678 -1.628 1.00 10.00 H new ATOM 192 N PHE A 15 -0.242 -5.634 -2.951 1.00 10.00 N ATOM 193 CA PHE A 15 -1.063 -5.170 -1.845 1.00 10.00 C ATOM 194 C PHE A 15 -1.467 -6.408 -1.043 1.00 10.00 C ATOM 195 O PHE A 15 -1.473 -7.520 -1.568 1.00 10.00 O ATOM 196 CB PHE A 15 -2.355 -4.511 -2.356 1.00 10.00 C ATOM 197 CG PHE A 15 -2.267 -3.204 -3.116 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.473 -3.104 -4.274 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.250 -2.226 -2.872 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.580 -1.985 -5.113 1.00 10.00 C ATOM 201 CE2 PHE A 15 -3.449 -1.184 -3.791 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.589 -1.041 -4.888 1.00 10.00 C ATOM 0 H PHE A 15 -0.744 -5.759 -3.830 1.00 10.00 H new ATOM 0 HA PHE A 15 -0.504 -4.444 -1.255 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -2.858 -5.232 -3.000 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.002 -4.347 -1.495 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.777 -3.893 -4.518 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -3.852 -2.278 -1.977 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.886 -1.852 -5.930 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -4.266 -0.491 -3.652 1.00 10.00 H new ATOM 0 HZ PHE A 15 -2.704 -0.203 -5.560 1.00 10.00 H new ATOM 212 N ASP A 16 -1.940 -6.197 0.179 1.00 10.00 N ATOM 213 CA ASP A 16 -2.912 -7.099 0.761 1.00 10.00 C ATOM 214 C ASP A 16 -4.113 -6.264 1.190 1.00 10.00 C ATOM 215 O ASP A 16 -3.948 -5.215 1.812 1.00 10.00 O ATOM 216 CB ASP A 16 -2.316 -7.840 1.955 1.00 10.00 C ATOM 217 CG ASP A 16 -0.931 -8.405 1.720 1.00 10.00 C ATOM 218 OD1 ASP A 16 -0.852 -9.495 1.120 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.002 -7.761 2.244 1.00 10.00 O ATOM 0 H ASP A 16 -1.667 -5.417 0.777 1.00 10.00 H new ATOM 0 HA ASP A 16 -3.213 -7.853 0.033 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -2.277 -7.159 2.805 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -2.985 -8.656 2.230 1.00 10.00 H new ATOM 224 N HIS A 17 -5.323 -6.746 0.915 1.00 10.00 N ATOM 225 CA HIS A 17 -6.412 -6.450 1.827 1.00 10.00 C ATOM 226 C HIS A 17 -6.224 -7.267 3.102 1.00 10.00 C ATOM 227 O HIS A 17 -6.023 -6.698 4.171 1.00 10.00 O ATOM 228 CB HIS A 17 -7.753 -6.740 1.163 1.00 10.00 C ATOM 229 CG HIS A 17 -8.294 -5.540 0.454 1.00 10.00 C ATOM 230 ND1 HIS A 17 -7.699 -4.908 -0.608 1.00 10.00 N ATOM 231 CD2 HIS A 17 -9.047 -4.619 1.111 1.00 10.00 C ATOM 232 CE1 HIS A 17 -8.067 -3.616 -0.559 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.863 -3.381 0.502 1.00 10.00 N ATOM 0 H HIS A 17 -5.564 -7.317 0.105 1.00 10.00 H new ATOM 0 HA HIS A 17 -6.405 -5.392 2.087 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.637 -7.560 0.454 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -8.468 -7.069 1.917 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -7.091 -5.338 -1.305 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -9.682 -4.815 1.963 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -7.765 -2.866 -1.275 1.00 10.00 H new ATOM 241 N LYS A 18 -6.266 -8.600 2.983 1.00 10.00 N ATOM 242 CA LYS A 18 -6.325 -9.477 4.143 1.00 10.00 C ATOM 243 C LYS A 18 -5.099 -9.296 5.039 1.00 10.00 C ATOM 244 O LYS A 18 -5.221 -8.777 6.138 1.00 10.00 O ATOM 245 CB LYS A 18 -6.530 -10.943 3.727 1.00 10.00 C ATOM 246 CG LYS A 18 -6.750 -11.813 4.979 1.00 10.00 C ATOM 247 CD LYS A 18 -6.694 -13.319 4.705 1.00 10.00 C ATOM 248 CE LYS A 18 -7.836 -13.785 3.797 1.00 10.00 C ATOM 249 NZ LYS A 18 -7.854 -15.260 3.695 1.00 10.00 N ATOM 0 H LYS A 18 -6.260 -9.089 2.088 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.195 -9.192 4.734 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -7.388 -11.025 3.060 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.661 -11.299 3.173 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -5.994 -11.560 5.723 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -7.719 -11.568 5.414 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.739 -13.567 4.241 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -6.739 -13.860 5.650 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -8.788 -13.431 4.192 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -7.720 -13.348 2.805 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.635 -15.556 3.075 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -6.952 -15.592 3.297 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -7.987 -15.672 4.641 1.00 10.00 H new ATOM 263 N ALA A 19 -3.919 -9.729 4.592 1.00 10.00 N ATOM 264 CA ALA A 19 -2.758 -9.862 5.477 1.00 10.00 C ATOM 265 C ALA A 19 -2.403 -8.558 6.205 1.00 10.00 C ATOM 266 O ALA A 19 -2.078 -8.566 7.390 1.00 10.00 O ATOM 267 CB ALA A 19 -1.559 -10.396 4.695 1.00 10.00 C ATOM 0 H ALA A 19 -3.741 -9.994 3.623 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.029 -10.577 6.254 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.702 -10.491 5.362 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.803 -11.373 4.277 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.315 -9.706 3.887 1.00 10.00 H new ATOM 273 N HIS A 20 -2.523 -7.428 5.502 1.00 10.00 N ATOM 274 CA HIS A 20 -2.457 -6.111 6.115 1.00 10.00 C ATOM 275 C HIS A 20 -3.611 -5.928 7.124 1.00 10.00 C ATOM 276 O HIS A 20 -3.364 -5.726 8.312 1.00 10.00 O ATOM 277 CB HIS A 20 -2.425 -5.023 5.027 1.00 10.00 C ATOM 278 CG HIS A 20 -1.055 -4.728 4.440 1.00 10.00 C ATOM 279 ND1 HIS A 20 -0.294 -5.577 3.671 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.356 -3.545 4.533 1.00 10.00 C ATOM 281 CE1 HIS A 20 0.817 -4.922 3.317 1.00 10.00 C ATOM 282 NE2 HIS A 20 0.849 -3.675 3.820 1.00 10.00 N ATOM 0 H HIS A 20 -2.668 -7.407 4.493 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.532 -6.015 6.684 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -3.091 -5.322 4.218 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.828 -4.101 5.447 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -0.534 -6.535 3.416 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.680 -2.663 5.066 1.00 10.00 H new ATOM 0 HE1 HIS A 20 1.596 -5.344 2.700 1.00 10.00 H new ATOM 290 N ALA A 21 -4.876 -6.024 6.689 1.00 10.00 N ATOM 291 CA ALA A 21 -6.052 -5.877 7.554 1.00 10.00 C ATOM 292 C ALA A 21 -6.024 -6.723 8.834 1.00 10.00 C ATOM 293 O ALA A 21 -6.453 -6.246 9.881 1.00 10.00 O ATOM 294 CB ALA A 21 -7.325 -6.200 6.775 1.00 10.00 C ATOM 0 H ALA A 21 -5.112 -6.208 5.714 1.00 10.00 H new ATOM 0 HA ALA A 21 -6.035 -4.835 7.875 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -8.190 -6.087 7.429 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.417 -5.518 5.930 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -7.278 -7.226 6.410 1.00 10.00 H new ATOM 300 N GLU A 22 -5.524 -7.958 8.768 1.00 10.00 N ATOM 301 CA GLU A 22 -5.384 -8.855 9.912 1.00 10.00 C ATOM 302 C GLU A 22 -4.667 -8.160 11.092 1.00 10.00 C ATOM 303 O GLU A 22 -4.990 -8.406 12.251 1.00 10.00 O ATOM 304 CB GLU A 22 -4.642 -10.125 9.458 1.00 10.00 C ATOM 305 CG GLU A 22 -5.412 -10.958 8.407 1.00 10.00 C ATOM 306 CD GLU A 22 -6.422 -11.969 8.934 1.00 10.00 C ATOM 307 OE1 GLU A 22 -6.668 -11.980 10.158 1.00 10.00 O ATOM 308 OE2 GLU A 22 -6.932 -12.717 8.069 1.00 10.00 O ATOM 0 H GLU A 22 -5.197 -8.371 7.894 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.372 -9.133 10.278 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.675 -9.840 9.044 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.445 -10.750 10.329 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.936 -10.268 7.745 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.683 -11.493 7.798 1.00 10.00 H new ATOM 315 N LYS A 23 -3.718 -7.257 10.798 1.00 10.00 N ATOM 316 CA LYS A 23 -3.132 -6.340 11.771 1.00 10.00 C ATOM 317 C LYS A 23 -3.879 -4.994 11.827 1.00 10.00 C ATOM 318 O LYS A 23 -4.183 -4.486 12.902 1.00 10.00 O ATOM 319 CB LYS A 23 -1.658 -6.110 11.406 1.00 10.00 C ATOM 320 CG LYS A 23 -0.770 -7.264 11.884 1.00 10.00 C ATOM 321 CD LYS A 23 0.711 -6.935 11.640 1.00 10.00 C ATOM 322 CE LYS A 23 1.601 -7.849 12.490 1.00 10.00 C ATOM 323 NZ LYS A 23 3.030 -7.529 12.301 1.00 10.00 N ATOM 0 H LYS A 23 -3.334 -7.147 9.859 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.216 -6.791 12.760 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.563 -6.001 10.326 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.314 -5.177 11.852 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.939 -7.446 12.945 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.038 -8.180 11.357 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.950 -7.061 10.584 1.00 10.00 H new ATOM 0 HD3 LYS A 23 0.905 -5.892 11.889 1.00 10.00 H new ATOM 0 HE2 LYS A 23 1.338 -7.741 13.542 1.00 10.00 H new ATOM 0 HE3 LYS A 23 1.420 -8.890 12.221 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 3.608 -8.163 12.888 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 3.285 -7.655 11.301 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 3.205 -6.543 12.581 1.00 10.00 H new ATOM 337 N LEU A 24 -4.105 -4.381 10.664 1.00 10.00 N ATOM 338 CA LEU A 24 -4.444 -2.966 10.526 1.00 10.00 C ATOM 339 C LEU A 24 -5.941 -2.628 10.686 1.00 10.00 C ATOM 340 O LEU A 24 -6.293 -1.466 10.863 1.00 10.00 O ATOM 341 CB LEU A 24 -3.906 -2.484 9.172 1.00 10.00 C ATOM 342 CG LEU A 24 -2.387 -2.618 8.986 1.00 10.00 C ATOM 343 CD1 LEU A 24 -2.026 -1.993 7.637 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.594 -1.905 10.086 1.00 10.00 C ATOM 0 H LEU A 24 -4.056 -4.869 9.769 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.974 -2.438 11.356 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.404 -3.045 8.381 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -4.181 -1.437 9.042 1.00 10.00 H new ATOM 0 HG LEU A 24 -2.128 -3.676 9.033 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.951 -2.073 7.475 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.553 -2.518 6.840 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.317 -0.942 7.633 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.527 -2.032 9.905 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.839 -0.843 10.081 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.851 -2.332 11.055 1.00 10.00 H new ATOM 356 N GLY A 25 -6.839 -3.612 10.616 1.00 10.00 N ATOM 357 CA GLY A 25 -8.260 -3.438 10.924 1.00 10.00 C ATOM 358 C GLY A 25 -9.011 -2.429 10.048 1.00 10.00 C ATOM 359 O GLY A 25 -9.815 -1.662 10.561 1.00 10.00 O ATOM 0 H GLY A 25 -6.597 -4.564 10.340 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.753 -4.406 10.836 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -8.352 -3.127 11.965 1.00 10.00 H new ATOM 363 N CYS A 26 -8.761 -2.462 8.735 1.00 10.00 N ATOM 364 CA CYS A 26 -9.395 -1.670 7.671 1.00 10.00 C ATOM 365 C CYS A 26 -9.184 -0.156 7.803 1.00 10.00 C ATOM 366 O CYS A 26 -8.587 0.458 6.918 1.00 10.00 O ATOM 367 CB CYS A 26 -10.865 -1.980 7.517 1.00 10.00 C ATOM 368 SG CYS A 26 -11.301 -3.748 7.472 1.00 10.00 S ATOM 0 H CYS A 26 -8.054 -3.093 8.357 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.877 -1.981 6.764 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.404 -1.513 8.341 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.221 -1.514 6.598 1.00 10.00 H new ATOM 0 HG CYS A 26 -12.588 -3.874 7.339 1.00 10.00 H new ATOM 373 N ASP A 27 -9.684 0.447 8.884 1.00 10.00 N ATOM 374 CA ASP A 27 -9.716 1.878 9.158 1.00 10.00 C ATOM 375 C ASP A 27 -8.344 2.531 8.965 1.00 10.00 C ATOM 376 O ASP A 27 -8.222 3.611 8.392 1.00 10.00 O ATOM 377 CB ASP A 27 -10.253 2.080 10.580 1.00 10.00 C ATOM 378 CG ASP A 27 -11.735 1.752 10.676 1.00 10.00 C ATOM 379 OD1 ASP A 27 -12.076 0.588 10.378 1.00 10.00 O ATOM 380 OD2 ASP A 27 -12.495 2.674 11.038 1.00 10.00 O ATOM 0 H ASP A 27 -10.105 -0.092 9.640 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.376 2.371 8.444 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -9.695 1.449 11.272 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -10.089 3.113 10.887 1.00 10.00 H new ATOM 385 N ALA A 28 -7.288 1.820 9.367 1.00 10.00 N ATOM 386 CA ALA A 28 -5.899 2.170 9.086 1.00 10.00 C ATOM 387 C ALA A 28 -5.627 2.666 7.652 1.00 10.00 C ATOM 388 O ALA A 28 -4.733 3.483 7.447 1.00 10.00 O ATOM 389 CB ALA A 28 -5.078 0.917 9.345 1.00 10.00 C ATOM 0 H ALA A 28 -7.381 0.962 9.911 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.633 3.010 9.728 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -4.026 1.124 9.149 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -5.200 0.610 10.384 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.419 0.117 8.688 1.00 10.00 H new ATOM 395 N CYS A 29 -6.369 2.152 6.666 1.00 10.00 N ATOM 396 CA CYS A 29 -6.256 2.523 5.257 1.00 10.00 C ATOM 397 C CYS A 29 -7.491 3.276 4.737 1.00 10.00 C ATOM 398 O CYS A 29 -7.531 3.629 3.562 1.00 10.00 O ATOM 399 CB CYS A 29 -6.089 1.265 4.449 1.00 10.00 C ATOM 400 SG CYS A 29 -4.471 0.445 4.670 1.00 10.00 S ATOM 0 H CYS A 29 -7.085 1.446 6.834 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.400 3.190 5.158 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.879 0.565 4.720 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.222 1.503 3.394 1.00 10.00 H new ATOM 0 HG CYS A 29 -4.424 -0.627 3.937 1.00 10.00 H new ATOM 405 N HIS A 30 -8.525 3.475 5.560 1.00 10.00 N ATOM 406 CA HIS A 30 -9.864 3.783 5.079 1.00 10.00 C ATOM 407 C HIS A 30 -10.659 4.665 6.053 1.00 10.00 C ATOM 408 O HIS A 30 -10.752 4.387 7.245 1.00 10.00 O ATOM 409 CB HIS A 30 -10.581 2.447 4.835 1.00 10.00 C ATOM 410 CG HIS A 30 -10.195 1.750 3.566 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.414 2.227 2.302 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.870 0.433 3.452 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.190 1.214 1.438 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.859 0.089 2.090 1.00 10.00 N ATOM 0 H HIS A 30 -8.452 3.426 6.576 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.790 4.362 4.159 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.377 1.783 5.675 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.656 2.625 4.823 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.656 -0.236 4.272 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.267 1.298 0.364 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -9.645 -0.822 1.683 1.00 10.00 H new ATOM 422 N GLU A 31 -11.312 5.698 5.529 1.00 10.00 N ATOM 423 CA GLU A 31 -12.116 6.643 6.286 1.00 10.00 C ATOM 424 C GLU A 31 -13.484 6.056 6.690 1.00 10.00 C ATOM 425 O GLU A 31 -14.547 6.551 6.312 1.00 10.00 O ATOM 426 CB GLU A 31 -12.206 7.968 5.508 1.00 10.00 C ATOM 427 CG GLU A 31 -12.696 7.848 4.046 1.00 10.00 C ATOM 428 CD GLU A 31 -11.611 7.471 3.040 1.00 10.00 C ATOM 429 OE1 GLU A 31 -11.373 6.248 2.898 1.00 10.00 O ATOM 430 OE2 GLU A 31 -11.027 8.406 2.456 1.00 10.00 O ATOM 0 H GLU A 31 -11.293 5.904 4.530 1.00 10.00 H new ATOM 0 HA GLU A 31 -11.628 6.854 7.237 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -12.877 8.639 6.044 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -11.222 8.436 5.506 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -13.488 7.101 4.003 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -13.137 8.798 3.745 1.00 10.00 H new ATOM 437 N GLY A 32 -13.463 4.979 7.479 1.00 10.00 N ATOM 438 CA GLY A 32 -14.653 4.317 8.016 1.00 10.00 C ATOM 439 C GLY A 32 -15.432 3.502 6.973 1.00 10.00 C ATOM 440 O GLY A 32 -15.667 2.313 7.162 1.00 10.00 O ATOM 0 H GLY A 32 -12.594 4.532 7.770 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.354 3.657 8.830 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.315 5.070 8.443 1.00 10.00 H new ATOM 444 N THR A 33 -15.846 4.138 5.869 1.00 10.00 N ATOM 445 CA THR A 33 -16.560 3.497 4.759 1.00 10.00 C ATOM 446 C THR A 33 -15.598 3.200 3.601 1.00 10.00 C ATOM 447 O THR A 33 -15.360 4.083 2.778 1.00 10.00 O ATOM 448 CB THR A 33 -17.704 4.400 4.267 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.557 4.703 5.345 1.00 10.00 O ATOM 450 CG2 THR A 33 -18.557 3.705 3.201 1.00 10.00 C ATOM 0 H THR A 33 -15.690 5.135 5.720 1.00 10.00 H new ATOM 0 HA THR A 33 -16.979 2.557 5.119 1.00 10.00 H new ATOM 0 HB THR A 33 -17.249 5.296 3.844 1.00 10.00 H new ATOM 0 HG1 THR A 33 -19.286 5.280 5.034 1.00 10.00 H new ATOM 0 HG21 THR A 33 -19.354 4.375 2.879 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.932 3.447 2.346 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.993 2.797 3.619 1.00 10.00 H new ATOM 458 N PRO A 34 -15.037 1.986 3.489 1.00 10.00 N ATOM 459 CA PRO A 34 -14.146 1.664 2.391 1.00 10.00 C ATOM 460 C PRO A 34 -14.945 1.489 1.091 1.00 10.00 C ATOM 461 O PRO A 34 -15.986 0.834 1.080 1.00 10.00 O ATOM 462 CB PRO A 34 -13.466 0.371 2.819 1.00 10.00 C ATOM 463 CG PRO A 34 -14.547 -0.339 3.628 1.00 10.00 C ATOM 464 CD PRO A 34 -15.219 0.827 4.353 1.00 10.00 C ATOM 0 HA PRO A 34 -13.418 2.449 2.188 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.151 -0.222 1.960 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.576 0.563 3.418 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.246 -0.879 2.989 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -14.125 -1.064 4.324 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.277 0.626 4.521 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -14.767 0.993 5.331 1.00 10.00 H new ATOM 472 N ALA A 35 -14.461 2.085 -0.003 1.00 10.00 N ATOM 473 CA ALA A 35 -15.184 2.148 -1.277 1.00 10.00 C ATOM 474 C ALA A 35 -14.272 1.903 -2.487 1.00 10.00 C ATOM 475 O ALA A 35 -14.593 1.110 -3.366 1.00 10.00 O ATOM 476 CB ALA A 35 -15.919 3.491 -1.344 1.00 10.00 C ATOM 0 H ALA A 35 -13.549 2.541 -0.030 1.00 10.00 H new ATOM 0 HA ALA A 35 -15.913 1.339 -1.321 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -16.465 3.560 -2.285 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -16.619 3.564 -0.512 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -15.196 4.305 -1.283 1.00 10.00 H new ATOM 482 N LYS A 36 -13.134 2.593 -2.469 1.00 10.00 N ATOM 483 CA LYS A 36 -11.903 2.498 -3.245 1.00 10.00 C ATOM 484 C LYS A 36 -10.960 3.674 -2.918 1.00 10.00 C ATOM 485 O LYS A 36 -11.328 4.537 -2.125 1.00 10.00 O ATOM 486 CB LYS A 36 -12.180 2.382 -4.739 1.00 10.00 C ATOM 487 CG LYS A 36 -12.753 3.646 -5.395 1.00 10.00 C ATOM 488 CD LYS A 36 -11.806 4.245 -6.452 1.00 10.00 C ATOM 489 CE LYS A 36 -11.770 3.487 -7.792 1.00 10.00 C ATOM 490 NZ LYS A 36 -11.213 2.120 -7.684 1.00 10.00 N ATOM 0 H LYS A 36 -13.045 3.356 -1.797 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.395 1.578 -2.956 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.252 2.118 -5.245 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.877 1.560 -4.901 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -13.709 3.407 -5.862 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -12.952 4.392 -4.626 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -12.103 5.276 -6.642 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -10.797 4.274 -6.040 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -12.782 3.428 -8.194 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -11.176 4.057 -8.507 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -10.965 1.770 -8.632 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -10.361 2.138 -7.088 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -11.921 1.489 -7.256 1.00 10.00 H new ATOM 504 N ILE A 37 -9.762 3.707 -3.516 1.00 10.00 N ATOM 505 CA ILE A 37 -8.739 4.748 -3.360 1.00 10.00 C ATOM 506 C ILE A 37 -7.966 4.826 -4.688 1.00 10.00 C ATOM 507 O ILE A 37 -7.753 3.792 -5.315 1.00 10.00 O ATOM 508 CB ILE A 37 -7.775 4.415 -2.193 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.530 4.103 -0.886 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.786 5.572 -1.972 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.614 3.817 0.307 1.00 10.00 C ATOM 0 H ILE A 37 -9.465 2.969 -4.155 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.207 5.704 -3.123 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.224 3.517 -2.473 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.176 4.946 -0.641 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.178 3.242 -1.049 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.115 5.325 -1.149 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.204 5.732 -2.880 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.337 6.481 -1.730 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.220 3.607 1.189 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -6.985 2.955 0.085 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.984 4.686 0.498 1.00 10.00 H new ATOM 523 N ALA A 38 -7.563 6.015 -5.149 1.00 10.00 N ATOM 524 CA ALA A 38 -6.809 6.145 -6.399 1.00 10.00 C ATOM 525 C ALA A 38 -5.299 5.950 -6.203 1.00 10.00 C ATOM 526 O ALA A 38 -4.601 6.815 -5.675 1.00 10.00 O ATOM 527 CB ALA A 38 -7.101 7.480 -7.069 1.00 10.00 C ATOM 0 H ALA A 38 -7.746 6.900 -4.675 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.146 5.342 -7.055 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.531 7.555 -7.995 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.166 7.550 -7.292 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -6.816 8.293 -6.401 1.00 10.00 H new ATOM 533 N ILE A 39 -4.801 4.803 -6.658 1.00 10.00 N ATOM 534 CA ILE A 39 -3.420 4.361 -6.495 1.00 10.00 C ATOM 535 C ILE A 39 -2.627 4.485 -7.804 1.00 10.00 C ATOM 536 O ILE A 39 -2.981 3.854 -8.797 1.00 10.00 O ATOM 537 CB ILE A 39 -3.419 2.920 -5.978 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.273 2.764 -4.711 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.977 2.475 -5.719 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.866 3.668 -3.540 1.00 10.00 C ATOM 0 H ILE A 39 -5.371 4.130 -7.170 1.00 10.00 H new ATOM 0 HA ILE A 39 -2.923 5.006 -5.770 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.866 2.282 -6.740 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.313 2.969 -4.964 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.224 1.726 -4.383 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.973 1.449 -5.351 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.407 2.530 -6.647 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.522 3.129 -4.975 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.527 3.485 -2.693 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.838 3.450 -3.252 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.944 4.712 -3.842 1.00 10.00 H new ATOM 552 N ASP A 40 -1.566 5.299 -7.794 1.00 10.00 N ATOM 553 CA ASP A 40 -0.854 5.702 -9.007 1.00 10.00 C ATOM 554 C ASP A 40 0.583 6.196 -8.720 1.00 10.00 C ATOM 555 O ASP A 40 0.993 6.378 -7.566 1.00 10.00 O ATOM 556 CB ASP A 40 -1.722 6.809 -9.643 1.00 10.00 C ATOM 557 CG ASP A 40 -1.188 7.418 -10.925 1.00 10.00 C ATOM 558 OD1 ASP A 40 -0.553 6.659 -11.686 1.00 10.00 O ATOM 559 OD2 ASP A 40 -1.355 8.646 -11.077 1.00 10.00 O ATOM 0 H ASP A 40 -1.177 5.697 -6.939 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.721 4.854 -9.679 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.711 6.397 -9.844 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.852 7.607 -8.912 1.00 10.00 H new ATOM 564 N LYS A 41 1.326 6.498 -9.789 1.00 10.00 N ATOM 565 CA LYS A 41 2.601 7.225 -9.785 1.00 10.00 C ATOM 566 C LYS A 41 2.432 8.708 -9.417 1.00 10.00 C ATOM 567 O LYS A 41 2.857 9.609 -10.136 1.00 10.00 O ATOM 568 CB LYS A 41 3.421 6.992 -11.069 1.00 10.00 C ATOM 569 CG LYS A 41 2.631 6.880 -12.388 1.00 10.00 C ATOM 570 CD LYS A 41 2.440 5.383 -12.671 1.00 10.00 C ATOM 571 CE LYS A 41 1.472 5.000 -13.798 1.00 10.00 C ATOM 572 NZ LYS A 41 1.283 3.528 -13.849 1.00 10.00 N ATOM 0 H LYS A 41 1.040 6.228 -10.730 1.00 10.00 H new ATOM 0 HA LYS A 41 3.202 6.797 -8.983 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.135 7.810 -11.169 1.00 10.00 H new ATOM 0 HB3 LYS A 41 4.000 6.077 -10.941 1.00 10.00 H new ATOM 0 HG2 LYS A 41 1.667 7.383 -12.304 1.00 10.00 H new ATOM 0 HG3 LYS A 41 3.172 7.361 -13.203 1.00 10.00 H new ATOM 0 HD2 LYS A 41 3.416 4.956 -12.904 1.00 10.00 H new ATOM 0 HD3 LYS A 41 2.095 4.907 -11.753 1.00 10.00 H new ATOM 0 HE2 LYS A 41 0.511 5.490 -13.641 1.00 10.00 H new ATOM 0 HE3 LYS A 41 1.859 5.355 -14.753 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 0.625 3.289 -14.618 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 2.199 3.066 -14.021 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 0.893 3.197 -12.944 1.00 10.00 H new ATOM 586 N LYS A 42 1.840 8.944 -8.243 1.00 10.00 N ATOM 587 CA LYS A 42 1.512 10.260 -7.711 1.00 10.00 C ATOM 588 C LYS A 42 1.054 10.118 -6.255 1.00 10.00 C ATOM 589 O LYS A 42 1.636 10.707 -5.348 1.00 10.00 O ATOM 590 CB LYS A 42 0.424 10.883 -8.604 1.00 10.00 C ATOM 591 CG LYS A 42 0.095 12.342 -8.268 1.00 10.00 C ATOM 592 CD LYS A 42 -0.870 12.856 -9.346 1.00 10.00 C ATOM 593 CE LYS A 42 -1.224 14.333 -9.135 1.00 10.00 C ATOM 594 NZ LYS A 42 -2.102 14.827 -10.219 1.00 10.00 N ATOM 0 H LYS A 42 1.567 8.188 -7.615 1.00 10.00 H new ATOM 0 HA LYS A 42 2.381 10.918 -7.716 1.00 10.00 H new ATOM 0 HB2 LYS A 42 0.746 10.825 -9.644 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -0.485 10.288 -8.518 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -0.359 12.415 -7.280 1.00 10.00 H new ATOM 0 HG3 LYS A 42 1.003 12.945 -8.247 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -0.418 12.727 -10.330 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -1.781 12.258 -9.333 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -1.722 14.458 -8.173 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -0.312 14.928 -9.101 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -2.328 15.829 -10.054 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -1.615 14.728 -11.133 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -2.981 14.272 -10.234 1.00 10.00 H new ATOM 608 N SER A 43 0.034 9.286 -6.024 1.00 10.00 N ATOM 609 CA SER A 43 -0.429 8.910 -4.695 1.00 10.00 C ATOM 610 C SER A 43 0.523 7.900 -4.041 1.00 10.00 C ATOM 611 O SER A 43 1.068 8.163 -2.965 1.00 10.00 O ATOM 612 CB SER A 43 -1.846 8.339 -4.822 1.00 10.00 C ATOM 613 OG SER A 43 -1.885 7.337 -5.823 1.00 10.00 O ATOM 0 H SER A 43 -0.501 8.849 -6.775 1.00 10.00 H new ATOM 0 HA SER A 43 -0.445 9.788 -4.049 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.164 7.921 -3.867 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.546 9.137 -5.069 1.00 10.00 H new ATOM 0 HG SER A 43 -2.393 7.665 -6.594 1.00 10.00 H new ATOM 619 N ALA A 44 0.755 6.762 -4.712 1.00 10.00 N ATOM 620 CA ALA A 44 1.415 5.583 -4.139 1.00 10.00 C ATOM 621 C ALA A 44 2.888 5.808 -3.780 1.00 10.00 C ATOM 622 O ALA A 44 3.530 4.940 -3.193 1.00 10.00 O ATOM 623 CB ALA A 44 1.290 4.418 -5.125 1.00 10.00 C ATOM 0 H ALA A 44 0.483 6.635 -5.687 1.00 10.00 H new ATOM 0 HA ALA A 44 0.910 5.361 -3.199 1.00 10.00 H new ATOM 0 HB1 ALA A 44 1.777 3.536 -4.710 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.236 4.202 -5.301 1.00 10.00 H new ATOM 0 HB3 ALA A 44 1.767 4.686 -6.067 1.00 10.00 H new ATOM 629 N HIS A 45 3.433 6.964 -4.174 1.00 10.00 N ATOM 630 CA HIS A 45 4.834 7.325 -4.028 1.00 10.00 C ATOM 631 C HIS A 45 5.038 8.574 -3.162 1.00 10.00 C ATOM 632 O HIS A 45 6.185 8.922 -2.875 1.00 10.00 O ATOM 633 CB HIS A 45 5.412 7.514 -5.433 1.00 10.00 C ATOM 634 CG HIS A 45 5.286 6.258 -6.249 1.00 10.00 C ATOM 635 ND1 HIS A 45 4.156 5.882 -6.927 1.00 10.00 N ATOM 636 CD2 HIS A 45 6.168 5.209 -6.299 1.00 10.00 C ATOM 637 CE1 HIS A 45 4.381 4.662 -7.429 1.00 10.00 C ATOM 638 NE2 HIS A 45 5.584 4.186 -7.058 1.00 10.00 N ATOM 0 H HIS A 45 2.883 7.698 -4.620 1.00 10.00 H new ATOM 0 HA HIS A 45 5.358 6.527 -3.503 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.893 8.330 -5.935 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.461 7.800 -5.361 1.00 10.00 H new ATOM 0 HD2 HIS A 45 7.142 5.177 -5.835 1.00 10.00 H new ATOM 0 HE1 HIS A 45 3.683 4.125 -8.055 1.00 10.00 H new ATOM 0 HE2 HIS A 45 5.985 3.275 -7.282 1.00 10.00 H new ATOM 646 N LYS A 46 3.951 9.196 -2.690 1.00 10.00 N ATOM 647 CA LYS A 46 3.981 10.351 -1.797 1.00 10.00 C ATOM 648 C LYS A 46 3.635 9.921 -0.366 1.00 10.00 C ATOM 649 O LYS A 46 4.479 9.948 0.540 1.00 10.00 O ATOM 650 CB LYS A 46 2.982 11.386 -2.341 1.00 10.00 C ATOM 651 CG LYS A 46 2.980 12.699 -1.547 1.00 10.00 C ATOM 652 CD LYS A 46 1.948 13.660 -2.155 1.00 10.00 C ATOM 653 CE LYS A 46 1.926 14.982 -1.376 1.00 10.00 C ATOM 654 NZ LYS A 46 0.919 15.920 -1.922 1.00 10.00 N ATOM 0 H LYS A 46 3.004 8.899 -2.927 1.00 10.00 H new ATOM 0 HA LYS A 46 4.976 10.794 -1.761 1.00 10.00 H new ATOM 0 HB2 LYS A 46 3.221 11.599 -3.383 1.00 10.00 H new ATOM 0 HB3 LYS A 46 1.980 10.958 -2.325 1.00 10.00 H new ATOM 0 HG2 LYS A 46 2.741 12.504 -0.502 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.971 13.151 -1.568 1.00 10.00 H new ATOM 0 HD2 LYS A 46 2.190 13.850 -3.201 1.00 10.00 H new ATOM 0 HD3 LYS A 46 0.959 13.202 -2.135 1.00 10.00 H new ATOM 0 HE2 LYS A 46 1.707 14.783 -0.327 1.00 10.00 H new ATOM 0 HE3 LYS A 46 2.913 15.444 -1.414 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 0.932 16.802 -1.372 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 1.142 16.129 -2.916 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -0.025 15.489 -1.862 1.00 10.00 H new ATOM 668 N ASP A 47 2.368 9.542 -0.190 1.00 10.00 N ATOM 669 CA ASP A 47 1.740 9.341 1.108 1.00 10.00 C ATOM 670 C ASP A 47 0.996 8.000 1.213 1.00 10.00 C ATOM 671 O ASP A 47 1.303 7.201 2.098 1.00 10.00 O ATOM 672 CB ASP A 47 0.847 10.548 1.402 1.00 10.00 C ATOM 673 CG ASP A 47 0.343 10.471 2.828 1.00 10.00 C ATOM 674 OD1 ASP A 47 1.119 10.892 3.712 1.00 10.00 O ATOM 675 OD2 ASP A 47 -0.768 9.934 3.000 1.00 10.00 O ATOM 0 H ASP A 47 1.737 9.363 -0.971 1.00 10.00 H new ATOM 0 HA ASP A 47 2.513 9.275 1.874 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.406 11.472 1.252 1.00 10.00 H new ATOM 0 HB3 ASP A 47 0.006 10.568 0.709 1.00 10.00 H new ATOM 680 N ALA A 48 0.067 7.721 0.292 1.00 10.00 N ATOM 681 CA ALA A 48 -0.630 6.437 0.242 1.00 10.00 C ATOM 682 C ALA A 48 0.369 5.269 0.276 1.00 10.00 C ATOM 683 O ALA A 48 1.281 5.211 -0.550 1.00 10.00 O ATOM 684 CB ALA A 48 -1.516 6.366 -1.005 1.00 10.00 C ATOM 0 H ALA A 48 -0.220 8.377 -0.435 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.267 6.353 1.123 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.030 5.405 -1.032 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.251 7.170 -0.975 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.898 6.472 -1.897 1.00 10.00 H new ATOM 690 N CYS A 49 0.227 4.384 1.271 1.00 10.00 N ATOM 691 CA CYS A 49 1.111 3.244 1.549 1.00 10.00 C ATOM 692 C CYS A 49 2.473 3.684 2.083 1.00 10.00 C ATOM 693 O CYS A 49 2.834 3.356 3.216 1.00 10.00 O ATOM 694 CB CYS A 49 1.219 2.311 0.368 1.00 10.00 C ATOM 695 SG CYS A 49 -0.476 1.839 -0.098 1.00 10.00 S ATOM 0 H CYS A 49 -0.544 4.446 1.936 1.00 10.00 H new ATOM 0 HA CYS A 49 0.646 2.670 2.350 1.00 10.00 H new ATOM 0 HB2 CYS A 49 1.725 2.800 -0.464 1.00 10.00 H new ATOM 0 HB3 CYS A 49 1.807 1.430 0.626 1.00 10.00 H new ATOM 0 HG CYS A 49 -0.437 1.033 -1.117 1.00 10.00 H new ATOM 700 N LYS A 50 3.200 4.465 1.277 1.00 10.00 N ATOM 701 CA LYS A 50 4.403 5.184 1.652 1.00 10.00 C ATOM 702 C LYS A 50 4.428 5.599 3.124 1.00 10.00 C ATOM 703 O LYS A 50 5.221 5.056 3.874 1.00 10.00 O ATOM 704 CB LYS A 50 4.525 6.413 0.752 1.00 10.00 C ATOM 705 CG LYS A 50 4.983 6.039 -0.659 1.00 10.00 C ATOM 706 CD LYS A 50 6.510 5.964 -0.823 1.00 10.00 C ATOM 707 CE LYS A 50 7.210 7.290 -0.474 1.00 10.00 C ATOM 708 NZ LYS A 50 8.135 7.743 -1.534 1.00 10.00 N ATOM 0 H LYS A 50 2.946 4.614 0.300 1.00 10.00 H new ATOM 0 HA LYS A 50 5.251 4.513 1.519 1.00 10.00 H new ATOM 0 HB2 LYS A 50 3.563 6.922 0.699 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.234 7.116 1.190 1.00 10.00 H new ATOM 0 HG2 LYS A 50 4.552 5.074 -0.926 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.588 6.771 -1.364 1.00 10.00 H new ATOM 0 HD2 LYS A 50 6.902 5.172 -0.185 1.00 10.00 H new ATOM 0 HD3 LYS A 50 6.748 5.692 -1.851 1.00 10.00 H new ATOM 0 HE2 LYS A 50 6.457 8.059 -0.301 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.763 7.170 0.458 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 8.886 8.327 -1.113 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 8.560 6.916 -2.001 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 7.611 8.305 -2.235 1.00 10.00 H new ATOM 722 N THR A 51 3.608 6.566 3.543 1.00 10.00 N ATOM 723 CA THR A 51 3.685 7.183 4.877 1.00 10.00 C ATOM 724 C THR A 51 3.646 6.172 6.023 1.00 10.00 C ATOM 725 O THR A 51 4.504 6.214 6.903 1.00 10.00 O ATOM 726 CB THR A 51 2.680 8.329 5.009 1.00 10.00 C ATOM 727 OG1 THR A 51 3.198 9.387 4.229 1.00 10.00 O ATOM 728 CG2 THR A 51 2.549 8.854 6.440 1.00 10.00 C ATOM 0 H THR A 51 2.862 6.949 2.962 1.00 10.00 H new ATOM 0 HA THR A 51 4.675 7.630 4.972 1.00 10.00 H new ATOM 0 HB THR A 51 1.699 7.970 4.698 1.00 10.00 H new ATOM 0 HG1 THR A 51 2.557 10.128 4.216 1.00 10.00 H new ATOM 0 HG21 THR A 51 1.821 9.665 6.465 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.217 8.048 7.094 1.00 10.00 H new ATOM 0 HG23 THR A 51 3.516 9.223 6.782 1.00 10.00 H new ATOM 736 N CYS A 52 2.723 5.213 5.984 1.00 10.00 N ATOM 737 CA CYS A 52 2.748 4.090 6.922 1.00 10.00 C ATOM 738 C CYS A 52 4.099 3.362 6.853 1.00 10.00 C ATOM 739 O CYS A 52 4.794 3.203 7.851 1.00 10.00 O ATOM 740 CB CYS A 52 1.591 3.183 6.613 1.00 10.00 C ATOM 741 SG CYS A 52 1.398 1.941 7.916 1.00 10.00 S ATOM 0 H CYS A 52 1.952 5.190 5.317 1.00 10.00 H new ATOM 0 HA CYS A 52 2.642 4.447 7.947 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.676 3.768 6.521 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.752 2.691 5.654 1.00 10.00 H new ATOM 0 HG CYS A 52 0.392 1.168 7.633 1.00 10.00 H new ATOM 746 N HIS A 53 4.530 3.022 5.638 1.00 10.00 N ATOM 747 CA HIS A 53 5.854 2.474 5.375 1.00 10.00 C ATOM 748 C HIS A 53 7.052 3.395 5.742 1.00 10.00 C ATOM 749 O HIS A 53 8.187 2.925 5.701 1.00 10.00 O ATOM 750 CB HIS A 53 5.888 2.051 3.898 1.00 10.00 C ATOM 751 CG HIS A 53 5.300 0.693 3.639 1.00 10.00 C ATOM 752 ND1 HIS A 53 6.013 -0.389 3.209 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.011 0.280 3.833 1.00 10.00 C ATOM 754 CE1 HIS A 53 5.172 -1.439 3.164 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.925 -1.096 3.533 1.00 10.00 N ATOM 0 H HIS A 53 3.958 3.122 4.799 1.00 10.00 H new ATOM 0 HA HIS A 53 5.997 1.624 6.043 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.346 2.789 3.306 1.00 10.00 H new ATOM 0 HB3 HIS A 53 6.921 2.061 3.551 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.193 0.904 4.162 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.463 -2.436 2.868 1.00 10.00 H new ATOM 0 HE2 HIS A 53 3.102 -1.696 3.584 1.00 10.00 H new ATOM 763 N LYS A 54 6.854 4.681 6.071 1.00 10.00 N ATOM 764 CA LYS A 54 7.921 5.579 6.514 1.00 10.00 C ATOM 765 C LYS A 54 8.230 5.360 7.997 1.00 10.00 C ATOM 766 O LYS A 54 9.371 5.097 8.372 1.00 10.00 O ATOM 767 CB LYS A 54 7.561 7.029 6.238 1.00 10.00 C ATOM 768 CG LYS A 54 7.398 7.227 4.736 1.00 10.00 C ATOM 769 CD LYS A 54 7.449 8.721 4.448 1.00 10.00 C ATOM 770 CE LYS A 54 6.894 9.089 3.055 1.00 10.00 C ATOM 771 NZ LYS A 54 5.543 9.719 3.076 1.00 10.00 N ATOM 0 H LYS A 54 5.937 5.127 6.035 1.00 10.00 H new ATOM 0 HA LYS A 54 8.820 5.346 5.944 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.637 7.292 6.754 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.339 7.689 6.622 1.00 10.00 H new ATOM 0 HG2 LYS A 54 8.189 6.708 4.195 1.00 10.00 H new ATOM 0 HG3 LYS A 54 6.451 6.806 4.397 1.00 10.00 H new ATOM 0 HD2 LYS A 54 6.880 9.252 5.211 1.00 10.00 H new ATOM 0 HD3 LYS A 54 8.481 9.064 4.524 1.00 10.00 H new ATOM 0 HE2 LYS A 54 7.592 9.770 2.568 1.00 10.00 H new ATOM 0 HE3 LYS A 54 6.851 8.187 2.445 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 5.075 9.568 2.160 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 4.972 9.290 3.832 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 5.639 10.740 3.252 1.00 10.00 H new ATOM 859 N LYS A 61 13.130 1.272 -0.330 1.00 10.00 N ATOM 860 CA LYS A 61 13.614 1.460 -1.699 1.00 10.00 C ATOM 861 C LYS A 61 12.659 0.865 -2.749 1.00 10.00 C ATOM 862 O LYS A 61 11.898 -0.053 -2.456 1.00 10.00 O ATOM 863 CB LYS A 61 15.027 0.869 -1.849 1.00 10.00 C ATOM 864 CG LYS A 61 16.039 1.532 -0.901 1.00 10.00 C ATOM 865 CD LYS A 61 17.482 1.065 -1.162 1.00 10.00 C ATOM 866 CE LYS A 61 18.084 1.711 -2.421 1.00 10.00 C ATOM 867 NZ LYS A 61 19.503 1.333 -2.604 1.00 10.00 N ATOM 0 HA LYS A 61 13.653 2.533 -1.884 1.00 10.00 H new ATOM 0 HB2 LYS A 61 14.994 -0.202 -1.650 1.00 10.00 H new ATOM 0 HB3 LYS A 61 15.363 0.992 -2.879 1.00 10.00 H new ATOM 0 HG2 LYS A 61 15.984 2.615 -1.015 1.00 10.00 H new ATOM 0 HG3 LYS A 61 15.768 1.306 0.130 1.00 10.00 H new ATOM 0 HD2 LYS A 61 18.102 1.308 -0.299 1.00 10.00 H new ATOM 0 HD3 LYS A 61 17.497 -0.020 -1.270 1.00 10.00 H new ATOM 0 HE2 LYS A 61 17.510 1.406 -3.296 1.00 10.00 H new ATOM 0 HE3 LYS A 61 18.003 2.796 -2.348 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 19.875 1.787 -3.462 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 20.055 1.646 -1.780 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 19.578 0.300 -2.699 1.00 10.00 H new ATOM 881 N CYS A 62 12.727 1.365 -3.990 1.00 10.00 N ATOM 882 CA CYS A 62 11.856 0.973 -5.105 1.00 10.00 C ATOM 883 C CYS A 62 11.659 -0.544 -5.210 1.00 10.00 C ATOM 884 O CYS A 62 10.540 -1.044 -5.087 1.00 10.00 O ATOM 885 CB CYS A 62 12.384 1.529 -6.409 1.00 10.00 C ATOM 886 SG CYS A 62 12.908 3.270 -6.306 1.00 10.00 S ATOM 0 H CYS A 62 13.410 2.075 -4.253 1.00 10.00 H new ATOM 0 HA CYS A 62 10.875 1.401 -4.899 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.229 0.923 -6.736 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.611 1.436 -7.172 1.00 10.00 H new ATOM 0 HG CYS A 62 13.347 3.660 -7.466 1.00 10.00 H new ATOM 891 N GLY A 63 12.764 -1.276 -5.394 1.00 10.00 N ATOM 892 CA GLY A 63 12.788 -2.735 -5.481 1.00 10.00 C ATOM 893 C GLY A 63 12.269 -3.445 -4.221 1.00 10.00 C ATOM 894 O GLY A 63 11.935 -4.624 -4.260 1.00 10.00 O ATOM 0 H GLY A 63 13.689 -0.856 -5.489 1.00 10.00 H new ATOM 0 HA2 GLY A 63 12.187 -3.048 -6.335 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.810 -3.060 -5.674 1.00 10.00 H new ATOM 898 N GLY A 64 12.193 -2.729 -3.095 1.00 10.00 N ATOM 899 CA GLY A 64 11.565 -3.211 -1.875 1.00 10.00 C ATOM 900 C GLY A 64 10.056 -3.425 -2.047 1.00 10.00 C ATOM 901 O GLY A 64 9.498 -4.340 -1.446 1.00 10.00 O ATOM 0 H GLY A 64 12.573 -1.786 -3.011 1.00 10.00 H new ATOM 0 HA2 GLY A 64 12.032 -4.149 -1.574 1.00 10.00 H new ATOM 0 HA3 GLY A 64 11.740 -2.496 -1.071 1.00 10.00 H new ATOM 905 N CYS A 65 9.398 -2.600 -2.873 1.00 10.00 N ATOM 906 CA CYS A 65 8.013 -2.841 -3.288 1.00 10.00 C ATOM 907 C CYS A 65 7.983 -3.604 -4.614 1.00 10.00 C ATOM 908 O CYS A 65 7.334 -4.636 -4.736 1.00 10.00 O ATOM 909 CB CYS A 65 7.259 -1.543 -3.431 1.00 10.00 C ATOM 910 SG CYS A 65 6.708 -0.864 -1.835 1.00 10.00 S ATOM 0 H CYS A 65 9.808 -1.754 -3.268 1.00 10.00 H new ATOM 0 HA CYS A 65 7.529 -3.440 -2.516 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.895 -0.812 -3.931 1.00 10.00 H new ATOM 0 HB3 CYS A 65 6.391 -1.701 -4.072 1.00 10.00 H new ATOM 0 HG CYS A 65 6.070 0.251 -2.035 1.00 10.00 H new ATOM 915 N HIS A 66 8.664 -3.073 -5.630 1.00 10.00 N ATOM 916 CA HIS A 66 8.599 -3.591 -6.984 1.00 10.00 C ATOM 917 C HIS A 66 9.427 -4.875 -7.165 1.00 10.00 C ATOM 918 O HIS A 66 10.652 -4.829 -7.102 1.00 10.00 O ATOM 919 CB HIS A 66 9.068 -2.482 -7.928 1.00 10.00 C ATOM 920 CG HIS A 66 8.077 -1.375 -8.049 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.934 -1.466 -8.783 1.00 10.00 N ATOM 922 CD2 HIS A 66 8.096 -0.142 -7.458 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.277 -0.305 -8.657 1.00 10.00 C ATOM 924 NE2 HIS A 66 6.939 0.550 -7.861 1.00 10.00 N ATOM 0 H HIS A 66 9.279 -2.265 -5.529 1.00 10.00 H new ATOM 0 HA HIS A 66 7.572 -3.876 -7.213 1.00 10.00 H new ATOM 0 HB2 HIS A 66 10.015 -2.079 -7.568 1.00 10.00 H new ATOM 0 HB3 HIS A 66 9.257 -2.905 -8.915 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.632 -2.272 -9.330 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.864 0.234 -6.798 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.334 -0.085 -9.135 1.00 10.00 H new ATOM 932 N ILE A 67 8.774 -6.002 -7.471 1.00 10.00 N ATOM 933 CA ILE A 67 9.469 -7.254 -7.796 1.00 10.00 C ATOM 934 C ILE A 67 10.418 -7.061 -8.987 1.00 10.00 C ATOM 935 O ILE A 67 9.967 -6.954 -10.126 1.00 10.00 O ATOM 936 CB ILE A 67 8.473 -8.392 -8.092 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.518 -8.578 -6.904 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.228 -9.703 -8.377 1.00 10.00 C ATOM 939 CD1 ILE A 67 6.504 -9.706 -7.107 1.00 10.00 C ATOM 0 H ILE A 67 7.757 -6.073 -7.500 1.00 10.00 H new ATOM 0 HA ILE A 67 10.056 -7.535 -6.922 1.00 10.00 H new ATOM 0 HB ILE A 67 7.891 -8.127 -8.975 1.00 10.00 H new ATOM 0 HG12 ILE A 67 8.102 -8.782 -6.007 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.982 -7.645 -6.729 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.511 -10.498 -8.584 1.00 10.00 H new ATOM 0 HG22 ILE A 67 9.879 -9.567 -9.240 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.828 -9.973 -7.508 1.00 10.00 H new ATOM 0 HD11 ILE A 67 5.862 -9.781 -6.229 1.00 10.00 H new ATOM 0 HD12 ILE A 67 5.894 -9.494 -7.985 1.00 10.00 H new ATOM 0 HD13 ILE A 67 7.032 -10.648 -7.251 1.00 10.00 H new ATOM 951 N LYS A 68 11.724 -7.021 -8.719 1.00 10.00 N ATOM 952 CA LYS A 68 12.759 -6.814 -9.716 1.00 10.00 C ATOM 953 C LYS A 68 13.360 -8.146 -10.190 1.00 10.00 C ATOM 954 O LYS A 68 13.346 -8.410 -11.414 1.00 10.00 O ATOM 955 CB LYS A 68 13.829 -5.902 -9.091 1.00 10.00 C ATOM 956 CG LYS A 68 14.688 -5.132 -10.105 1.00 10.00 C ATOM 957 CD LYS A 68 15.307 -5.946 -11.258 1.00 10.00 C ATOM 958 CE LYS A 68 16.232 -7.086 -10.788 1.00 10.00 C ATOM 959 NZ LYS A 68 15.994 -8.335 -11.547 1.00 10.00 N ATOM 960 OXT LYS A 68 14.032 -8.821 -9.380 1.00 10.00 O ATOM 0 H LYS A 68 12.094 -7.135 -7.775 1.00 10.00 H new ATOM 0 HA LYS A 68 12.336 -6.343 -10.603 1.00 10.00 H new ATOM 0 HB2 LYS A 68 13.337 -5.185 -8.434 1.00 10.00 H new ATOM 0 HB3 LYS A 68 14.485 -6.509 -8.467 1.00 10.00 H new ATOM 0 HG2 LYS A 68 14.074 -4.343 -10.539 1.00 10.00 H new ATOM 0 HG3 LYS A 68 15.497 -4.644 -9.562 1.00 10.00 H new ATOM 0 HD2 LYS A 68 14.505 -6.368 -11.864 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.873 -5.273 -11.902 1.00 10.00 H new ATOM 0 HE2 LYS A 68 17.272 -6.782 -10.905 1.00 10.00 H new ATOM 0 HE3 LYS A 68 16.071 -7.270 -9.726 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 16.107 -9.153 -10.914 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 15.029 -8.327 -11.934 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 16.679 -8.403 -12.326 1.00 10.00 H new