USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 398 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 SER OG : rot 140:sc= -0.588 USER MOD Set 1.2: A 48 LYS NZ :NH3+ -160:sc= 0.588 (180deg=-0.376) USER MOD Set 2.1: A 30 GLN : amide:sc= 1.04 K(o=4.2,f=3.1) USER MOD Set 2.2: A 32 TYR OH : rot 30:sc= 1.12 USER MOD Set 2.3: A 40 LYS NZ :NH3+ 177:sc= 2.08 (180deg=0.897) USER MOD Set 3.1: A 13 THR OG1 : rot -71:sc= 0.405 USER MOD Set 3.2: A 14 LYS NZ :NH3+ -104:sc= 1.46 (180deg=0.0786) USER MOD Single : A 1 GLN : amide:sc= -2.3 K(o=-2.3,f=-7.3!) USER MOD Single : A 1 GLN N :NH3+ 157:sc= 2.13 (180deg=0.614!) USER MOD Single : A 4 GLN : amide:sc= 1.02 K(o=1,f=-4.5!) USER MOD Single : A 11 GLN : amide:sc= 0.00921 X(o=0.0092,f=-0.15) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 106:sc= -0.626 USER MOD Single : A 21 SER OG : rot -44:sc= 0.376 USER MOD Single : A 22 ASN : amide:sc= -0.33 K(o=-0.33,f=-3.5!) USER MOD Single : A 24 HIS : no HE2:sc= -1.02 K(o=-1,f=-4.1!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -21:sc= 1.95 USER MOD Single : A 34 ASN : amide:sc= -2.86! C(o=-2.9!,f=-4.4!) USER MOD Single : A 35 LYS NZ :NH3+ -147:sc= 2.08 (180deg=1.34) USER MOD Single : A 44 LYS NZ :NH3+ -124:sc= 1.51 (180deg=0.553) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -101:sc= 2.45 (180deg=-0.685!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 156:sc= 0.662 (180deg=-1.11!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -3.849 1.078 7.568 1.00 0.00 N ATOM 2 CA GLN A 1 -2.883 0.889 6.490 1.00 0.00 C ATOM 3 C GLN A 1 -3.566 0.457 5.191 1.00 0.00 C ATOM 4 O GLN A 1 -3.353 1.070 4.157 1.00 0.00 O ATOM 5 CB GLN A 1 -1.789 -0.113 6.896 1.00 0.00 C ATOM 6 CG GLN A 1 -0.732 -0.345 5.817 1.00 0.00 C ATOM 7 CD GLN A 1 -0.112 0.954 5.325 1.00 0.00 C ATOM 8 OE1 GLN A 1 -0.022 1.924 6.058 1.00 0.00 O ATOM 9 NE2 GLN A 1 0.295 0.980 4.088 1.00 0.00 N ATOM 0 H1 GLN A 1 -3.368 0.983 8.485 1.00 0.00 H new ATOM 0 H2 GLN A 1 -4.271 2.026 7.494 1.00 0.00 H new ATOM 0 H3 GLN A 1 -4.597 0.360 7.494 1.00 0.00 H new ATOM 0 HA GLN A 1 -2.408 1.852 6.306 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -1.298 0.246 7.801 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -2.256 -1.066 7.144 1.00 0.00 H new ATOM 0 HG2 GLN A 1 0.051 -0.992 6.212 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -1.184 -0.870 4.976 1.00 0.00 H new ATOM 0 HE21 GLN A 1 0.204 0.149 3.504 1.00 0.00 H new ATOM 0 HE22 GLN A 1 0.705 1.831 3.704 1.00 0.00 H new ATOM 18 N GLY A 2 -4.380 -0.595 5.260 1.00 0.00 N ATOM 19 CA GLY A 2 -5.042 -1.121 4.076 1.00 0.00 C ATOM 20 C GLY A 2 -6.084 -0.177 3.533 1.00 0.00 C ATOM 21 O GLY A 2 -6.242 -0.049 2.330 1.00 0.00 O ATOM 0 H GLY A 2 -4.594 -1.096 6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.298 -1.319 3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.511 -2.075 4.319 1.00 0.00 H new ATOM 25 N GLY A 3 -6.801 0.463 4.426 1.00 0.00 N ATOM 26 CA GLY A 3 -7.782 1.428 4.015 1.00 0.00 C ATOM 27 C GLY A 3 -7.269 2.823 4.223 1.00 0.00 C ATOM 28 O GLY A 3 -6.935 3.531 3.283 1.00 0.00 O ATOM 0 H GLY A 3 -6.722 0.332 5.434 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -8.029 1.278 2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -8.702 1.284 4.582 1.00 0.00 H new ATOM 32 N GLN A 4 -7.195 3.211 5.459 1.00 0.00 N ATOM 33 CA GLN A 4 -6.706 4.493 5.826 1.00 0.00 C ATOM 34 C GLN A 4 -5.199 4.379 6.064 1.00 0.00 C ATOM 35 O GLN A 4 -4.752 3.454 6.754 1.00 0.00 O ATOM 36 CB GLN A 4 -7.466 4.968 7.103 1.00 0.00 C ATOM 37 CG GLN A 4 -7.086 4.307 8.469 1.00 0.00 C ATOM 38 CD GLN A 4 -7.126 2.775 8.535 1.00 0.00 C ATOM 39 OE1 GLN A 4 -7.892 2.116 7.837 1.00 0.00 O ATOM 40 NE2 GLN A 4 -6.282 2.214 9.379 1.00 0.00 N ATOM 0 H GLN A 4 -7.479 2.632 6.250 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.874 5.231 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.318 6.044 7.199 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.531 4.806 6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -6.080 4.632 8.734 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.759 4.697 9.233 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.661 2.796 9.942 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.250 1.198 9.469 1.00 0.00 H new ATOM 49 N VAL A 5 -4.388 5.240 5.479 1.00 0.00 N ATOM 50 CA VAL A 5 -2.968 5.131 5.757 1.00 0.00 C ATOM 51 C VAL A 5 -2.567 5.968 6.945 1.00 0.00 C ATOM 52 O VAL A 5 -1.913 7.011 6.832 1.00 0.00 O ATOM 53 CB VAL A 5 -2.012 5.394 4.587 1.00 0.00 C ATOM 54 CG1 VAL A 5 -0.588 4.979 5.015 1.00 0.00 C ATOM 55 CG2 VAL A 5 -2.457 4.624 3.354 1.00 0.00 C ATOM 0 H VAL A 5 -4.666 5.986 4.841 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.850 4.070 5.977 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.019 6.453 4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.106 5.159 4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.284 5.565 5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.579 3.920 5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.768 4.822 2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.462 3.556 3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.460 4.941 3.070 1.00 0.00 H new ATOM 65 N ASP A 6 -3.146 5.636 8.011 1.00 0.00 N ATOM 66 CA ASP A 6 -2.747 6.076 9.279 1.00 0.00 C ATOM 67 C ASP A 6 -2.677 4.892 10.144 1.00 0.00 C ATOM 68 O ASP A 6 -3.685 4.421 10.636 1.00 0.00 O ATOM 69 CB ASP A 6 -3.597 7.201 9.845 1.00 0.00 C ATOM 70 CG ASP A 6 -5.087 6.980 9.784 1.00 0.00 C ATOM 71 OD1 ASP A 6 -5.676 7.217 8.702 1.00 0.00 O ATOM 72 OD2 ASP A 6 -5.709 6.677 10.816 1.00 0.00 O ATOM 0 H ASP A 6 -3.956 5.016 8.032 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.765 6.545 9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.313 7.360 10.885 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.361 8.118 9.306 1.00 0.00 H new ATOM 77 N CYS A 7 -1.497 4.320 10.179 1.00 0.00 N ATOM 78 CA CYS A 7 -1.200 3.149 10.944 1.00 0.00 C ATOM 79 C CYS A 7 -2.256 2.051 11.036 1.00 0.00 C ATOM 80 O CYS A 7 -2.456 1.293 10.063 1.00 0.00 O ATOM 81 CB CYS A 7 -0.494 3.457 12.239 1.00 0.00 C ATOM 82 SG CYS A 7 -1.111 4.907 13.255 1.00 0.00 S ATOM 0 H CYS A 7 -0.696 4.674 9.656 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.480 2.642 10.302 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.542 2.566 12.865 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.558 3.632 12.013 1.00 0.00 H new ATOM 87 N GLY A 8 -2.928 1.996 12.161 1.00 0.00 N ATOM 88 CA GLY A 8 -3.913 0.988 12.441 1.00 0.00 C ATOM 89 C GLY A 8 -3.312 -0.394 12.612 1.00 0.00 C ATOM 90 O GLY A 8 -2.973 -0.813 13.712 1.00 0.00 O ATOM 0 H GLY A 8 -2.800 2.665 12.920 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.454 1.258 13.348 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.641 0.964 11.630 1.00 0.00 H new ATOM 94 N GLU A 9 -3.105 -1.037 11.508 1.00 0.00 N ATOM 95 CA GLU A 9 -2.699 -2.411 11.414 1.00 0.00 C ATOM 96 C GLU A 9 -1.200 -2.618 11.618 1.00 0.00 C ATOM 97 O GLU A 9 -0.741 -3.746 11.622 1.00 0.00 O ATOM 98 CB GLU A 9 -3.028 -2.882 10.032 1.00 0.00 C ATOM 99 CG GLU A 9 -4.503 -2.774 9.606 1.00 0.00 C ATOM 100 CD GLU A 9 -4.828 -1.447 8.943 1.00 0.00 C ATOM 101 OE1 GLU A 9 -5.004 -0.428 9.623 1.00 0.00 O ATOM 102 OE2 GLU A 9 -4.844 -1.380 7.710 1.00 0.00 O ATOM 0 H GLU A 9 -3.220 -0.597 10.595 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.218 -2.960 12.199 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.425 -2.313 9.324 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.722 -3.925 9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.738 -3.586 8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.140 -2.903 10.481 1.00 0.00 H new ATOM 109 N PHE A 10 -0.454 -1.531 11.749 1.00 0.00 N ATOM 110 CA PHE A 10 1.026 -1.585 11.894 1.00 0.00 C ATOM 111 C PHE A 10 1.503 -2.464 13.001 1.00 0.00 C ATOM 112 O PHE A 10 2.426 -3.222 12.825 1.00 0.00 O ATOM 113 CB PHE A 10 1.632 -0.201 12.049 1.00 0.00 C ATOM 114 CG PHE A 10 2.001 0.490 10.774 1.00 0.00 C ATOM 115 CD1 PHE A 10 1.046 0.865 9.860 1.00 0.00 C ATOM 116 CD2 PHE A 10 3.329 0.786 10.510 1.00 0.00 C ATOM 117 CE1 PHE A 10 1.401 1.522 8.704 1.00 0.00 C ATOM 118 CE2 PHE A 10 3.693 1.440 9.354 1.00 0.00 C ATOM 119 CZ PHE A 10 2.726 1.810 8.448 1.00 0.00 C ATOM 0 H PHE A 10 -0.836 -0.585 11.760 1.00 0.00 H new ATOM 0 HA PHE A 10 1.370 -2.032 10.962 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.924 0.427 12.590 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.525 -0.282 12.669 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.007 0.642 10.051 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.090 0.500 11.221 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.640 1.813 7.995 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.732 1.661 9.160 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.003 2.324 7.540 1.00 0.00 H new ATOM 129 N GLN A 11 0.873 -2.315 14.142 1.00 0.00 N ATOM 130 CA GLN A 11 1.182 -3.015 15.446 1.00 0.00 C ATOM 131 C GLN A 11 2.581 -2.706 16.006 1.00 0.00 C ATOM 132 O GLN A 11 2.856 -2.847 17.208 1.00 0.00 O ATOM 133 CB GLN A 11 0.987 -4.476 15.265 1.00 0.00 C ATOM 134 CG GLN A 11 -0.340 -4.758 14.652 1.00 0.00 C ATOM 135 CD GLN A 11 -0.547 -6.202 14.260 1.00 0.00 C ATOM 136 OE1 GLN A 11 -0.035 -7.119 14.889 1.00 0.00 O ATOM 137 NE2 GLN A 11 -1.254 -6.412 13.181 1.00 0.00 N ATOM 0 H GLN A 11 0.083 -1.676 14.231 1.00 0.00 H new ATOM 0 HA GLN A 11 0.490 -2.629 16.194 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.778 -4.878 14.632 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.063 -4.980 16.228 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.121 -4.469 15.355 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.459 -4.132 13.767 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.667 -5.625 12.681 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.393 -7.363 12.839 1.00 0.00 H new ATOM 146 N ASP A 12 3.375 -2.222 15.148 1.00 0.00 N ATOM 147 CA ASP A 12 4.766 -1.933 15.309 1.00 0.00 C ATOM 148 C ASP A 12 4.993 -0.661 16.152 1.00 0.00 C ATOM 149 O ASP A 12 4.211 -0.287 17.055 1.00 0.00 O ATOM 150 CB ASP A 12 5.315 -1.699 13.870 1.00 0.00 C ATOM 151 CG ASP A 12 6.833 -1.960 13.705 1.00 0.00 C ATOM 152 OD1 ASP A 12 7.638 -1.090 14.107 1.00 0.00 O ATOM 153 OD2 ASP A 12 7.219 -2.963 13.190 1.00 0.00 O ATOM 0 H ASP A 12 3.050 -1.987 14.210 1.00 0.00 H new ATOM 0 HA ASP A 12 5.267 -2.751 15.827 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.772 -2.344 13.179 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.103 -0.670 13.578 1.00 0.00 H new ATOM 158 N THR A 13 6.079 -0.084 15.850 1.00 0.00 N ATOM 159 CA THR A 13 6.632 1.117 16.338 1.00 0.00 C ATOM 160 C THR A 13 6.987 2.095 15.159 1.00 0.00 C ATOM 161 O THR A 13 7.259 3.252 15.376 1.00 0.00 O ATOM 162 CB THR A 13 7.909 0.763 17.083 1.00 0.00 C ATOM 163 OG1 THR A 13 8.736 -0.124 16.280 1.00 0.00 O ATOM 164 CG2 THR A 13 7.609 0.124 18.406 1.00 0.00 C ATOM 0 H THR A 13 6.695 -0.501 15.152 1.00 0.00 H new ATOM 0 HA THR A 13 5.911 1.613 16.987 1.00 0.00 H new ATOM 0 HB THR A 13 8.453 1.689 17.267 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.318 -1.009 16.235 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.543 -0.117 18.914 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.030 0.813 19.020 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.036 -0.790 18.247 1.00 0.00 H new ATOM 172 N LYS A 14 6.978 1.576 13.891 1.00 0.00 N ATOM 173 CA LYS A 14 7.225 2.383 12.637 1.00 0.00 C ATOM 174 C LYS A 14 5.954 3.138 12.289 1.00 0.00 C ATOM 175 O LYS A 14 5.825 3.779 11.266 1.00 0.00 O ATOM 176 CB LYS A 14 7.459 1.435 11.482 1.00 0.00 C ATOM 177 CG LYS A 14 8.530 0.387 11.636 1.00 0.00 C ATOM 178 CD LYS A 14 9.938 0.924 11.890 1.00 0.00 C ATOM 179 CE LYS A 14 10.260 0.952 13.378 1.00 0.00 C ATOM 180 NZ LYS A 14 10.172 -0.412 13.980 1.00 0.00 N ATOM 0 H LYS A 14 6.800 0.589 13.703 1.00 0.00 H new ATOM 0 HA LYS A 14 8.073 3.048 12.801 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.519 0.924 11.273 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.700 2.032 10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.256 -0.271 12.461 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.549 -0.224 10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.666 0.301 11.370 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.026 1.929 11.478 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.262 1.353 13.527 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.569 1.622 13.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.292 -0.494 14.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.177 -1.126 13.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.986 -0.567 14.608 1.00 0.00 H new ATOM 194 N VAL A 15 5.058 2.953 13.148 1.00 0.00 N ATOM 195 CA VAL A 15 3.719 3.435 13.157 1.00 0.00 C ATOM 196 C VAL A 15 3.615 4.952 12.951 1.00 0.00 C ATOM 197 O VAL A 15 3.967 5.754 13.805 1.00 0.00 O ATOM 198 CB VAL A 15 3.134 3.022 14.513 1.00 0.00 C ATOM 199 CG1 VAL A 15 1.757 3.599 14.770 1.00 0.00 C ATOM 200 CG2 VAL A 15 3.114 1.501 14.618 1.00 0.00 C ATOM 0 H VAL A 15 5.249 2.390 13.977 1.00 0.00 H new ATOM 0 HA VAL A 15 3.166 3.007 12.321 1.00 0.00 H new ATOM 0 HB VAL A 15 3.781 3.438 15.286 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.400 3.269 15.746 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.810 4.688 14.752 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.069 3.257 13.997 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.698 1.208 15.582 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.499 1.089 13.818 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.130 1.117 14.530 1.00 0.00 H new ATOM 210 N TYR A 16 3.164 5.292 11.779 1.00 0.00 N ATOM 211 CA TYR A 16 2.906 6.660 11.392 1.00 0.00 C ATOM 212 C TYR A 16 1.446 6.965 11.588 1.00 0.00 C ATOM 213 O TYR A 16 0.585 6.252 11.075 1.00 0.00 O ATOM 214 CB TYR A 16 3.281 6.932 9.938 1.00 0.00 C ATOM 215 CG TYR A 16 4.724 6.643 9.589 1.00 0.00 C ATOM 216 CD1 TYR A 16 5.750 7.436 10.084 1.00 0.00 C ATOM 217 CD2 TYR A 16 5.057 5.584 8.753 1.00 0.00 C ATOM 218 CE1 TYR A 16 7.067 7.180 9.759 1.00 0.00 C ATOM 219 CE2 TYR A 16 6.372 5.321 8.424 1.00 0.00 C ATOM 220 CZ TYR A 16 7.373 6.122 8.930 1.00 0.00 C ATOM 221 OH TYR A 16 8.686 5.867 8.606 1.00 0.00 O ATOM 0 H TYR A 16 2.959 4.615 11.044 1.00 0.00 H new ATOM 0 HA TYR A 16 3.525 7.301 12.020 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.639 6.331 9.294 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.070 7.977 9.713 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.514 8.266 10.733 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.274 4.956 8.354 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.854 7.806 10.153 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.615 4.493 7.774 1.00 0.00 H new ATOM 0 HH TYR A 16 8.731 5.087 8.014 1.00 0.00 H new ATOM 231 N CYS A 17 1.195 8.016 12.296 1.00 0.00 N ATOM 232 CA CYS A 17 -0.141 8.436 12.671 1.00 0.00 C ATOM 233 C CYS A 17 -0.743 9.372 11.614 1.00 0.00 C ATOM 234 O CYS A 17 -0.181 9.553 10.526 1.00 0.00 O ATOM 235 CB CYS A 17 -0.067 9.082 14.069 1.00 0.00 C ATOM 236 SG CYS A 17 0.804 10.646 14.148 1.00 0.00 S ATOM 0 H CYS A 17 1.927 8.634 12.647 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.811 7.578 12.718 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.083 9.232 14.435 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.417 8.381 14.749 1.00 0.00 H new ATOM 241 N THR A 18 -1.883 9.929 11.926 1.00 0.00 N ATOM 242 CA THR A 18 -2.628 10.755 11.016 1.00 0.00 C ATOM 243 C THR A 18 -2.102 12.136 10.875 1.00 0.00 C ATOM 244 O THR A 18 -1.230 12.591 11.604 1.00 0.00 O ATOM 245 CB THR A 18 -4.051 10.981 11.501 1.00 0.00 C ATOM 246 OG1 THR A 18 -4.089 11.686 12.747 1.00 0.00 O ATOM 247 CG2 THR A 18 -4.801 9.754 11.604 1.00 0.00 C ATOM 0 H THR A 18 -2.327 9.819 12.837 1.00 0.00 H new ATOM 0 HA THR A 18 -2.559 10.204 10.078 1.00 0.00 H new ATOM 0 HB THR A 18 -4.526 11.601 10.741 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.376 12.610 12.591 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.810 9.972 11.954 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.852 9.276 10.626 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.309 9.085 12.310 1.00 0.00 H new ATOM 255 N ARG A 19 -2.738 12.814 9.969 1.00 0.00 N ATOM 256 CA ARG A 19 -2.546 14.210 9.772 1.00 0.00 C ATOM 257 C ARG A 19 -3.769 14.966 10.308 1.00 0.00 C ATOM 258 O ARG A 19 -3.770 16.183 10.419 1.00 0.00 O ATOM 259 CB ARG A 19 -2.207 14.580 8.305 1.00 0.00 C ATOM 260 CG ARG A 19 -3.150 14.053 7.203 1.00 0.00 C ATOM 261 CD ARG A 19 -2.878 12.582 6.799 1.00 0.00 C ATOM 262 NE ARG A 19 -3.824 11.656 7.421 1.00 0.00 N ATOM 263 CZ ARG A 19 -3.774 10.316 7.445 1.00 0.00 C ATOM 264 NH1 ARG A 19 -2.695 9.662 7.006 1.00 0.00 N ATOM 265 NH2 ARG A 19 -4.807 9.656 7.971 1.00 0.00 N ATOM 0 H ARG A 19 -3.419 12.398 9.334 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.666 14.518 10.337 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.176 15.667 8.230 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.202 14.217 8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.181 14.141 7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.053 14.686 6.321 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.939 12.487 5.715 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.863 12.309 7.087 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.620 12.082 7.895 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.895 10.182 6.646 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.672 8.643 7.030 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.606 10.171 8.341 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.798 8.637 8.003 1.00 0.00 H new ATOM 279 N GLU A 20 -4.815 14.197 10.623 1.00 0.00 N ATOM 280 CA GLU A 20 -6.021 14.694 11.250 1.00 0.00 C ATOM 281 C GLU A 20 -5.694 15.251 12.640 1.00 0.00 C ATOM 282 O GLU A 20 -4.910 14.654 13.382 1.00 0.00 O ATOM 283 CB GLU A 20 -7.074 13.563 11.414 1.00 0.00 C ATOM 284 CG GLU A 20 -7.638 12.923 10.131 1.00 0.00 C ATOM 285 CD GLU A 20 -6.723 11.882 9.528 1.00 0.00 C ATOM 286 OE1 GLU A 20 -5.637 12.236 9.093 1.00 0.00 O ATOM 287 OE2 GLU A 20 -7.069 10.674 9.507 1.00 0.00 O ATOM 0 H GLU A 20 -4.838 13.194 10.442 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.429 15.476 10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.627 12.772 12.016 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.911 13.963 11.986 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.601 12.464 10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.822 13.705 9.394 1.00 0.00 H new ATOM 294 N SER A 21 -6.324 16.348 12.989 1.00 0.00 N ATOM 295 CA SER A 21 -6.136 17.027 14.281 1.00 0.00 C ATOM 296 C SER A 21 -7.382 16.781 15.135 1.00 0.00 C ATOM 297 O SER A 21 -7.623 17.413 16.152 1.00 0.00 O ATOM 298 CB SER A 21 -6.022 18.498 14.000 1.00 0.00 C ATOM 299 OG SER A 21 -5.703 19.247 15.157 1.00 0.00 O ATOM 0 H SER A 21 -6.998 16.815 12.382 1.00 0.00 H new ATOM 0 HA SER A 21 -5.250 16.661 14.800 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.256 18.662 13.242 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.963 18.859 13.585 1.00 0.00 H new ATOM 0 HG SER A 21 -6.249 18.936 15.909 1.00 0.00 H new ATOM 305 N ASN A 22 -8.126 15.866 14.658 1.00 0.00 N ATOM 306 CA ASN A 22 -9.432 15.454 15.186 1.00 0.00 C ATOM 307 C ASN A 22 -9.305 14.745 16.532 1.00 0.00 C ATOM 308 O ASN A 22 -8.716 13.669 16.590 1.00 0.00 O ATOM 309 CB ASN A 22 -10.106 14.474 14.206 1.00 0.00 C ATOM 310 CG ASN A 22 -10.342 15.026 12.799 1.00 0.00 C ATOM 311 OD1 ASN A 22 -9.580 15.847 12.290 1.00 0.00 O ATOM 312 ND2 ASN A 22 -11.389 14.569 12.158 1.00 0.00 N ATOM 0 H ASN A 22 -7.854 15.328 13.835 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.024 16.360 15.312 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.489 13.578 14.130 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.064 14.167 14.625 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.590 14.894 11.212 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.004 13.889 12.605 1.00 0.00 H new ATOM 319 N PRO A 23 -9.871 15.309 17.612 1.00 0.00 N ATOM 320 CA PRO A 23 -9.833 14.688 18.954 1.00 0.00 C ATOM 321 C PRO A 23 -10.693 13.407 19.030 1.00 0.00 C ATOM 322 O PRO A 23 -11.720 13.291 18.355 1.00 0.00 O ATOM 323 CB PRO A 23 -10.391 15.780 19.872 1.00 0.00 C ATOM 324 CG PRO A 23 -11.225 16.639 18.983 1.00 0.00 C ATOM 325 CD PRO A 23 -10.575 16.607 17.631 1.00 0.00 C ATOM 0 HA PRO A 23 -8.828 14.366 19.229 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.986 15.352 20.679 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.589 16.354 20.337 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.248 16.266 18.931 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.276 17.659 19.365 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.312 16.675 16.831 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.884 17.439 17.499 1.00 0.00 H new ATOM 333 N HIS A 24 -10.275 12.468 19.854 1.00 0.00 N ATOM 334 CA HIS A 24 -10.882 11.134 19.958 1.00 0.00 C ATOM 335 C HIS A 24 -10.660 10.617 21.321 1.00 0.00 C ATOM 336 O HIS A 24 -9.540 10.583 21.823 1.00 0.00 O ATOM 337 CB HIS A 24 -10.213 10.154 18.979 1.00 0.00 C ATOM 338 CG HIS A 24 -10.557 10.293 17.502 1.00 0.00 C ATOM 339 ND1 HIS A 24 -10.124 11.306 16.684 1.00 0.00 N ATOM 340 CD2 HIS A 24 -11.307 9.491 16.708 1.00 0.00 C ATOM 341 CE1 HIS A 24 -10.614 11.096 15.465 1.00 0.00 C ATOM 342 NE2 HIS A 24 -11.337 10.007 15.421 1.00 0.00 N ATOM 0 H HIS A 24 -9.488 12.603 20.488 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.944 11.219 19.727 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.133 10.258 19.084 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -10.468 9.141 19.290 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -9.529 12.086 16.963 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.805 8.588 17.028 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -10.437 11.743 14.619 1.00 0.00 H new ATOM 350 N CYS A 25 -11.699 10.233 21.909 1.00 0.00 N ATOM 351 CA CYS A 25 -11.653 9.589 23.145 1.00 0.00 C ATOM 352 C CYS A 25 -11.799 8.150 22.821 1.00 0.00 C ATOM 353 O CYS A 25 -12.908 7.661 22.578 1.00 0.00 O ATOM 354 CB CYS A 25 -12.759 10.041 24.074 1.00 0.00 C ATOM 355 SG CYS A 25 -12.458 9.504 25.796 1.00 0.00 S ATOM 0 H CYS A 25 -12.640 10.359 21.537 1.00 0.00 H new ATOM 0 HA CYS A 25 -10.726 9.815 23.673 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -12.841 11.127 24.041 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.711 9.639 23.729 1.00 0.00 H new ATOM 360 N GLY A 26 -10.703 7.462 22.784 1.00 0.00 N ATOM 361 CA GLY A 26 -10.712 6.160 22.251 1.00 0.00 C ATOM 362 C GLY A 26 -11.210 5.173 23.204 1.00 0.00 C ATOM 363 O GLY A 26 -11.411 5.484 24.394 1.00 0.00 O ATOM 0 H GLY A 26 -9.797 7.789 23.119 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.332 6.141 21.355 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.702 5.888 21.945 1.00 0.00 H new ATOM 367 N SER A 27 -11.421 3.979 22.729 1.00 0.00 N ATOM 368 CA SER A 27 -11.769 2.884 23.589 1.00 0.00 C ATOM 369 C SER A 27 -10.507 2.431 24.388 1.00 0.00 C ATOM 370 O SER A 27 -10.530 1.472 25.132 1.00 0.00 O ATOM 371 CB SER A 27 -12.404 1.734 22.810 1.00 0.00 C ATOM 372 OG SER A 27 -13.546 2.202 22.108 1.00 0.00 O ATOM 0 H SER A 27 -11.357 3.737 21.740 1.00 0.00 H new ATOM 0 HA SER A 27 -12.525 3.217 24.300 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.682 1.314 22.110 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.688 0.933 23.493 1.00 0.00 H new ATOM 0 HG SER A 27 -13.949 1.462 21.608 1.00 0.00 H new ATOM 378 N ASP A 28 -9.420 3.217 24.188 1.00 0.00 N ATOM 379 CA ASP A 28 -8.159 3.196 24.925 1.00 0.00 C ATOM 380 C ASP A 28 -8.479 3.701 26.296 1.00 0.00 C ATOM 381 O ASP A 28 -7.788 3.474 27.267 1.00 0.00 O ATOM 382 CB ASP A 28 -7.202 4.178 24.187 1.00 0.00 C ATOM 383 CG ASP A 28 -5.805 4.337 24.781 1.00 0.00 C ATOM 384 OD1 ASP A 28 -5.674 4.999 25.803 1.00 0.00 O ATOM 385 OD2 ASP A 28 -4.809 3.890 24.145 1.00 0.00 O ATOM 0 H ASP A 28 -9.414 3.926 23.455 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.695 2.211 24.987 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.099 3.844 23.155 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.675 5.160 24.158 1.00 0.00 H new ATOM 390 N GLY A 29 -9.598 4.382 26.340 1.00 0.00 N ATOM 391 CA GLY A 29 -10.067 4.973 27.512 1.00 0.00 C ATOM 392 C GLY A 29 -9.766 6.406 27.452 1.00 0.00 C ATOM 393 O GLY A 29 -10.597 7.248 27.805 1.00 0.00 O ATOM 0 H GLY A 29 -10.201 4.528 25.531 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.140 4.814 27.615 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.592 4.521 28.383 1.00 0.00 H new ATOM 397 N GLN A 30 -8.637 6.679 26.874 1.00 0.00 N ATOM 398 CA GLN A 30 -8.085 7.986 26.858 1.00 0.00 C ATOM 399 C GLN A 30 -8.549 8.868 25.785 1.00 0.00 C ATOM 400 O GLN A 30 -9.025 8.434 24.730 1.00 0.00 O ATOM 401 CB GLN A 30 -6.604 7.942 26.896 1.00 0.00 C ATOM 402 CG GLN A 30 -6.194 7.315 28.135 1.00 0.00 C ATOM 403 CD GLN A 30 -4.701 7.132 28.278 1.00 0.00 C ATOM 404 OE1 GLN A 30 -4.003 7.989 28.803 1.00 0.00 O ATOM 405 NE2 GLN A 30 -4.192 6.058 27.756 1.00 0.00 N ATOM 0 H GLN A 30 -8.068 5.982 26.393 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.469 8.443 27.770 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.220 7.382 26.043 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.193 8.949 26.827 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.556 7.916 28.969 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.676 6.340 28.212 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.801 5.362 27.326 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.183 5.910 27.776 1.00 0.00 H new ATOM 414 N THR A 31 -8.437 10.114 26.079 1.00 0.00 N ATOM 415 CA THR A 31 -8.711 11.125 25.117 1.00 0.00 C ATOM 416 C THR A 31 -7.434 11.545 24.493 1.00 0.00 C ATOM 417 O THR A 31 -6.477 11.907 25.179 1.00 0.00 O ATOM 418 CB THR A 31 -9.419 12.369 25.672 1.00 0.00 C ATOM 419 OG1 THR A 31 -10.685 12.002 26.249 1.00 0.00 O ATOM 420 CG2 THR A 31 -9.632 13.392 24.536 1.00 0.00 C ATOM 0 H THR A 31 -8.153 10.464 26.994 1.00 0.00 H new ATOM 0 HA THR A 31 -9.401 10.680 24.400 1.00 0.00 H new ATOM 0 HB THR A 31 -8.799 12.818 26.448 1.00 0.00 H new ATOM 0 HG1 THR A 31 -10.973 11.140 25.884 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.135 14.275 24.931 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.667 13.680 24.120 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.245 12.945 23.754 1.00 0.00 H new ATOM 428 N TYR A 32 -7.400 11.465 23.227 1.00 0.00 N ATOM 429 CA TYR A 32 -6.297 11.879 22.515 1.00 0.00 C ATOM 430 C TYR A 32 -6.622 13.067 21.691 1.00 0.00 C ATOM 431 O TYR A 32 -7.742 13.201 21.170 1.00 0.00 O ATOM 432 CB TYR A 32 -5.681 10.747 21.746 1.00 0.00 C ATOM 433 CG TYR A 32 -4.987 9.798 22.676 1.00 0.00 C ATOM 434 CD1 TYR A 32 -3.857 10.215 23.367 1.00 0.00 C ATOM 435 CD2 TYR A 32 -5.455 8.516 22.892 1.00 0.00 C ATOM 436 CE1 TYR A 32 -3.214 9.389 24.244 1.00 0.00 C ATOM 437 CE2 TYR A 32 -4.810 7.678 23.771 1.00 0.00 C ATOM 438 CZ TYR A 32 -3.689 8.127 24.449 1.00 0.00 C ATOM 439 OH TYR A 32 -3.027 7.288 25.318 1.00 0.00 O ATOM 0 H TYR A 32 -8.162 11.100 22.656 1.00 0.00 H new ATOM 0 HA TYR A 32 -5.524 12.200 23.213 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.452 10.218 21.186 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.970 11.138 21.018 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.479 11.214 23.207 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.333 8.170 22.367 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.336 9.732 24.771 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.176 6.675 23.932 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.593 7.819 26.019 1.00 0.00 H new ATOM 449 N GLY A 33 -5.649 13.933 21.625 1.00 0.00 N ATOM 450 CA GLY A 33 -5.764 15.212 20.960 1.00 0.00 C ATOM 451 C GLY A 33 -6.127 15.081 19.521 1.00 0.00 C ATOM 452 O GLY A 33 -6.864 15.894 18.992 1.00 0.00 O ATOM 0 H GLY A 33 -4.731 13.770 22.040 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.518 15.814 21.467 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.818 15.747 21.045 1.00 0.00 H new ATOM 456 N ASN A 34 -5.620 14.059 18.882 1.00 0.00 N ATOM 457 CA ASN A 34 -5.944 13.831 17.522 1.00 0.00 C ATOM 458 C ASN A 34 -5.907 12.358 17.215 1.00 0.00 C ATOM 459 O ASN A 34 -5.439 11.554 18.023 1.00 0.00 O ATOM 460 CB ASN A 34 -5.065 14.659 16.560 1.00 0.00 C ATOM 461 CG ASN A 34 -3.596 14.256 16.520 1.00 0.00 C ATOM 462 OD1 ASN A 34 -3.055 13.698 17.465 1.00 0.00 O ATOM 463 ND2 ASN A 34 -2.940 14.551 15.424 1.00 0.00 N ATOM 0 H ASN A 34 -4.982 13.378 19.293 1.00 0.00 H new ATOM 0 HA ASN A 34 -6.963 14.180 17.357 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.476 14.576 15.554 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.130 15.709 16.845 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.951 14.315 15.342 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.419 15.017 14.653 1.00 0.00 H new ATOM 470 N LYS A 35 -6.410 12.013 16.058 1.00 0.00 N ATOM 471 CA LYS A 35 -6.535 10.627 15.584 1.00 0.00 C ATOM 472 C LYS A 35 -5.200 9.930 15.520 1.00 0.00 C ATOM 473 O LYS A 35 -5.089 8.737 15.696 1.00 0.00 O ATOM 474 CB LYS A 35 -7.260 10.669 14.259 1.00 0.00 C ATOM 475 CG LYS A 35 -7.631 9.351 13.575 1.00 0.00 C ATOM 476 CD LYS A 35 -8.615 9.655 12.434 1.00 0.00 C ATOM 477 CE LYS A 35 -8.864 8.485 11.480 1.00 0.00 C ATOM 478 NZ LYS A 35 -7.742 8.275 10.541 1.00 0.00 N ATOM 0 H LYS A 35 -6.759 12.697 15.387 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.113 10.028 16.287 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.180 11.235 14.405 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.643 11.238 13.564 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.738 8.862 13.185 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.083 8.666 14.292 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.567 9.964 12.865 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.236 10.500 11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.025 7.576 12.059 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.778 8.669 10.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.110 7.927 9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.242 9.175 10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.083 7.575 10.938 1.00 0.00 H new ATOM 492 N CYS A 36 -4.248 10.704 15.287 1.00 0.00 N ATOM 493 CA CYS A 36 -2.840 10.319 15.282 1.00 0.00 C ATOM 494 C CYS A 36 -2.453 9.673 16.606 1.00 0.00 C ATOM 495 O CYS A 36 -1.969 8.540 16.672 1.00 0.00 O ATOM 496 CB CYS A 36 -1.984 11.583 15.014 1.00 0.00 C ATOM 497 SG CYS A 36 -0.239 11.585 15.599 1.00 0.00 S ATOM 0 H CYS A 36 -4.389 11.692 15.077 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.662 9.584 14.497 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.976 11.759 13.938 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.491 12.433 15.472 1.00 0.00 H new ATOM 502 N ALA A 37 -2.796 10.368 17.615 1.00 0.00 N ATOM 503 CA ALA A 37 -2.486 10.056 18.996 1.00 0.00 C ATOM 504 C ALA A 37 -3.273 8.823 19.440 1.00 0.00 C ATOM 505 O ALA A 37 -2.819 8.018 20.234 1.00 0.00 O ATOM 506 CB ALA A 37 -2.873 11.268 19.824 1.00 0.00 C ATOM 0 H ALA A 37 -3.335 11.229 17.520 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.427 9.833 19.122 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.656 11.075 20.875 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.304 12.135 19.489 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.938 11.465 19.704 1.00 0.00 H new ATOM 512 N PHE A 38 -4.444 8.710 18.912 1.00 0.00 N ATOM 513 CA PHE A 38 -5.358 7.591 19.175 1.00 0.00 C ATOM 514 C PHE A 38 -5.073 6.343 18.309 1.00 0.00 C ATOM 515 O PHE A 38 -5.447 5.231 18.684 1.00 0.00 O ATOM 516 CB PHE A 38 -6.809 8.115 19.039 1.00 0.00 C ATOM 517 CG PHE A 38 -7.877 7.097 18.771 1.00 0.00 C ATOM 518 CD1 PHE A 38 -8.236 6.162 19.721 1.00 0.00 C ATOM 519 CD2 PHE A 38 -8.534 7.094 17.550 1.00 0.00 C ATOM 520 CE1 PHE A 38 -9.225 5.242 19.453 1.00 0.00 C ATOM 521 CE2 PHE A 38 -9.522 6.180 17.282 1.00 0.00 C ATOM 522 CZ PHE A 38 -9.867 5.253 18.233 1.00 0.00 C ATOM 0 H PHE A 38 -4.826 9.399 18.264 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.198 7.231 20.191 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.066 8.643 19.957 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.830 8.849 18.233 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.739 6.152 20.680 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.264 7.822 16.799 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -9.498 4.511 20.200 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.026 6.190 16.327 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.643 4.531 18.025 1.00 0.00 H new ATOM 532 N CYS A 39 -4.326 6.502 17.248 1.00 0.00 N ATOM 533 CA CYS A 39 -4.089 5.420 16.314 1.00 0.00 C ATOM 534 C CYS A 39 -3.270 4.373 16.941 1.00 0.00 C ATOM 535 O CYS A 39 -3.535 3.224 16.751 1.00 0.00 O ATOM 536 CB CYS A 39 -3.416 5.908 15.022 1.00 0.00 C ATOM 537 SG CYS A 39 -3.038 4.564 13.808 1.00 0.00 S ATOM 0 H CYS A 39 -3.865 7.378 17.003 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.062 5.008 16.045 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.064 6.643 14.543 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.489 6.420 15.280 1.00 0.00 H new ATOM 542 N LYS A 40 -2.391 4.768 17.848 1.00 0.00 N ATOM 543 CA LYS A 40 -1.405 3.918 18.377 1.00 0.00 C ATOM 544 C LYS A 40 -1.969 2.844 19.179 1.00 0.00 C ATOM 545 O LYS A 40 -1.424 1.784 19.305 1.00 0.00 O ATOM 546 CB LYS A 40 -0.398 4.711 19.156 1.00 0.00 C ATOM 547 CG LYS A 40 -0.871 5.693 20.276 1.00 0.00 C ATOM 548 CD LYS A 40 -1.513 4.974 21.452 1.00 0.00 C ATOM 549 CE LYS A 40 -1.934 5.892 22.583 1.00 0.00 C ATOM 550 NZ LYS A 40 -2.560 5.148 23.735 1.00 0.00 N ATOM 0 H LYS A 40 -2.365 5.714 18.228 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.900 3.440 17.538 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.287 4.000 19.617 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.181 5.293 18.439 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.018 6.272 20.631 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.584 6.402 19.855 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.387 4.428 21.097 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.811 4.235 21.840 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.064 6.442 22.941 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.643 6.628 22.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.782 5.816 24.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.434 4.685 23.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.896 4.429 24.086 1.00 0.00 H new ATOM 564 N ALA A 41 -3.022 3.162 19.715 1.00 0.00 N ATOM 565 CA ALA A 41 -3.769 2.283 20.546 1.00 0.00 C ATOM 566 C ALA A 41 -4.426 1.251 19.734 1.00 0.00 C ATOM 567 O ALA A 41 -4.521 0.093 20.138 1.00 0.00 O ATOM 568 CB ALA A 41 -4.796 3.024 21.155 1.00 0.00 C ATOM 0 H ALA A 41 -3.446 4.083 19.607 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.096 1.827 21.272 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.384 2.370 21.799 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.361 3.826 21.752 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.440 3.452 20.387 1.00 0.00 H new ATOM 574 N ILE A 42 -4.842 1.644 18.555 1.00 0.00 N ATOM 575 CA ILE A 42 -5.508 0.742 17.674 1.00 0.00 C ATOM 576 C ILE A 42 -4.488 -0.234 17.261 1.00 0.00 C ATOM 577 O ILE A 42 -4.670 -1.440 17.301 1.00 0.00 O ATOM 578 CB ILE A 42 -6.016 1.554 16.515 1.00 0.00 C ATOM 579 CG1 ILE A 42 -7.144 2.354 17.034 1.00 0.00 C ATOM 580 CG2 ILE A 42 -6.414 0.684 15.371 1.00 0.00 C ATOM 581 CD1 ILE A 42 -7.356 3.602 16.296 1.00 0.00 C ATOM 0 H ILE A 42 -4.726 2.589 18.190 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.354 0.219 18.120 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.239 2.207 16.117 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -8.054 1.756 16.992 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.963 2.587 18.083 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.776 1.304 14.551 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.552 0.107 15.036 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.205 0.004 15.689 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.199 4.142 16.728 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.460 4.219 16.359 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.568 3.375 15.251 1.00 0.00 H new ATOM 593 N VAL A 43 -3.393 0.333 17.012 1.00 0.00 N ATOM 594 CA VAL A 43 -2.171 -0.334 16.702 1.00 0.00 C ATOM 595 C VAL A 43 -1.752 -1.278 17.825 1.00 0.00 C ATOM 596 O VAL A 43 -1.166 -2.320 17.574 1.00 0.00 O ATOM 597 CB VAL A 43 -1.082 0.716 16.486 1.00 0.00 C ATOM 598 CG1 VAL A 43 0.251 0.135 16.144 1.00 0.00 C ATOM 599 CG2 VAL A 43 -1.507 1.714 15.466 1.00 0.00 C ATOM 0 H VAL A 43 -3.297 1.348 17.014 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.316 -0.929 15.800 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.951 1.219 17.444 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.974 0.939 16.005 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.583 -0.515 16.953 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.171 -0.443 15.224 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.717 2.452 15.328 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.700 1.208 14.520 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.416 2.214 15.802 1.00 0.00 H new ATOM 609 N LYS A 44 -2.057 -0.920 19.049 1.00 0.00 N ATOM 610 CA LYS A 44 -1.644 -1.743 20.156 1.00 0.00 C ATOM 611 C LYS A 44 -2.555 -2.913 20.379 1.00 0.00 C ATOM 612 O LYS A 44 -2.120 -3.995 20.730 1.00 0.00 O ATOM 613 CB LYS A 44 -1.512 -0.940 21.414 1.00 0.00 C ATOM 614 CG LYS A 44 -0.322 0.056 21.488 1.00 0.00 C ATOM 615 CD LYS A 44 1.057 -0.584 21.189 1.00 0.00 C ATOM 616 CE LYS A 44 1.407 -0.574 19.687 1.00 0.00 C ATOM 617 NZ LYS A 44 2.692 -1.264 19.398 1.00 0.00 N ATOM 0 H LYS A 44 -2.580 -0.081 19.300 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.665 -2.140 19.889 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.435 -0.378 21.556 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.428 -1.632 22.252 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.496 0.866 20.780 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.296 0.501 22.482 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.829 -0.048 21.741 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.062 -1.612 21.552 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.605 -1.056 19.127 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.465 0.457 19.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.329 -0.614 18.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.135 -1.561 20.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.512 -2.100 18.806 1.00 0.00 H new ATOM 631 N SER A 45 -3.802 -2.689 20.188 1.00 0.00 N ATOM 632 CA SER A 45 -4.775 -3.720 20.416 1.00 0.00 C ATOM 633 C SER A 45 -4.928 -4.631 19.198 1.00 0.00 C ATOM 634 O SER A 45 -5.411 -5.759 19.330 1.00 0.00 O ATOM 635 CB SER A 45 -6.105 -3.097 20.802 1.00 0.00 C ATOM 636 OG SER A 45 -7.058 -4.051 21.291 1.00 0.00 O ATOM 0 H SER A 45 -4.186 -1.799 19.872 1.00 0.00 H new ATOM 0 HA SER A 45 -4.425 -4.344 21.238 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.935 -2.339 21.567 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.524 -2.587 19.935 1.00 0.00 H new ATOM 0 HG SER A 45 -7.547 -3.666 22.048 1.00 0.00 H new ATOM 642 N GLY A 46 -4.530 -4.164 18.033 1.00 0.00 N ATOM 643 CA GLY A 46 -4.643 -4.945 16.877 1.00 0.00 C ATOM 644 C GLY A 46 -5.764 -4.539 16.004 1.00 0.00 C ATOM 645 O GLY A 46 -6.398 -5.373 15.383 1.00 0.00 O ATOM 0 H GLY A 46 -4.127 -3.238 17.889 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.712 -4.884 16.313 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.774 -5.988 17.163 1.00 0.00 H new ATOM 649 N GLY A 47 -6.061 -3.275 16.003 1.00 0.00 N ATOM 650 CA GLY A 47 -7.190 -2.791 15.257 1.00 0.00 C ATOM 651 C GLY A 47 -8.435 -2.911 16.091 1.00 0.00 C ATOM 652 O GLY A 47 -9.461 -2.347 15.781 1.00 0.00 O ATOM 0 H GLY A 47 -5.540 -2.558 16.509 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.031 -1.751 14.971 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.301 -3.362 14.335 1.00 0.00 H new ATOM 656 N LYS A 48 -8.305 -3.663 17.181 1.00 0.00 N ATOM 657 CA LYS A 48 -9.404 -3.936 18.078 1.00 0.00 C ATOM 658 C LYS A 48 -9.930 -2.740 18.859 1.00 0.00 C ATOM 659 O LYS A 48 -11.057 -2.764 19.329 1.00 0.00 O ATOM 660 CB LYS A 48 -9.047 -5.089 18.958 1.00 0.00 C ATOM 661 CG LYS A 48 -9.087 -6.415 18.198 1.00 0.00 C ATOM 662 CD LYS A 48 -7.964 -7.393 18.553 1.00 0.00 C ATOM 663 CE LYS A 48 -7.931 -7.834 20.024 1.00 0.00 C ATOM 664 NZ LYS A 48 -7.310 -6.820 20.915 1.00 0.00 N ATOM 0 H LYS A 48 -7.426 -4.098 17.461 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.256 -4.200 17.451 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.050 -4.936 19.371 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.738 -5.131 19.800 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.045 -6.899 18.390 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.043 -6.206 17.129 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.062 -8.279 17.925 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.008 -6.931 18.306 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.948 -8.034 20.362 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.378 -8.770 20.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.005 -7.275 21.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.486 -6.399 20.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.004 -6.076 21.130 1.00 0.00 H new ATOM 678 N ILE A 49 -9.118 -1.743 19.064 1.00 0.00 N ATOM 679 CA ILE A 49 -9.637 -0.521 19.681 1.00 0.00 C ATOM 680 C ILE A 49 -10.344 0.352 18.660 1.00 0.00 C ATOM 681 O ILE A 49 -9.966 0.426 17.503 1.00 0.00 O ATOM 682 CB ILE A 49 -8.541 0.247 20.443 1.00 0.00 C ATOM 683 CG1 ILE A 49 -8.144 -0.545 21.655 1.00 0.00 C ATOM 684 CG2 ILE A 49 -8.936 1.687 20.836 1.00 0.00 C ATOM 685 CD1 ILE A 49 -6.851 -0.116 22.209 1.00 0.00 C ATOM 0 H ILE A 49 -8.126 -1.732 18.829 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.380 -0.817 20.422 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.697 0.359 19.762 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.915 -0.444 22.419 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.091 -1.602 21.393 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.110 2.158 21.369 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.162 2.260 19.937 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.815 1.660 21.480 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.611 -0.721 23.084 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.073 -0.242 21.456 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.909 0.933 22.498 1.00 0.00 H new ATOM 697 N SER A 50 -11.343 1.001 19.128 1.00 0.00 N ATOM 698 CA SER A 50 -12.203 1.833 18.358 1.00 0.00 C ATOM 699 C SER A 50 -12.394 3.105 19.145 1.00 0.00 C ATOM 700 O SER A 50 -11.724 3.308 20.161 1.00 0.00 O ATOM 701 CB SER A 50 -13.539 1.116 18.145 1.00 0.00 C ATOM 702 OG SER A 50 -13.336 -0.145 17.531 1.00 0.00 O ATOM 0 H SER A 50 -11.602 0.967 20.114 1.00 0.00 H new ATOM 0 HA SER A 50 -11.784 2.055 17.377 1.00 0.00 H new ATOM 0 HB2 SER A 50 -14.043 0.983 19.102 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.192 1.729 17.523 1.00 0.00 H new ATOM 0 HG SER A 50 -14.200 -0.590 17.404 1.00 0.00 H new ATOM 708 N LEU A 51 -13.193 3.984 18.670 1.00 0.00 N ATOM 709 CA LEU A 51 -13.471 5.133 19.300 1.00 0.00 C ATOM 710 C LEU A 51 -14.699 5.083 20.184 1.00 0.00 C ATOM 711 O LEU A 51 -15.679 4.439 19.850 1.00 0.00 O ATOM 712 CB LEU A 51 -13.731 6.113 18.294 1.00 0.00 C ATOM 713 CG LEU A 51 -13.907 7.397 18.875 1.00 0.00 C ATOM 714 CD1 LEU A 51 -12.620 7.814 19.428 1.00 0.00 C ATOM 715 CD2 LEU A 51 -14.471 8.292 17.925 1.00 0.00 C ATOM 0 H LEU A 51 -13.677 3.876 17.779 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.618 5.355 19.941 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.904 6.140 17.584 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -14.624 5.837 17.733 1.00 0.00 H new ATOM 0 HG LEU A 51 -14.622 7.384 19.697 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.722 8.799 19.883 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.299 7.097 20.183 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.878 7.857 18.631 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.601 9.273 18.382 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.806 8.377 17.066 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -15.439 7.913 17.598 1.00 0.00 H new ATOM 727 N LYS A 52 -14.609 5.739 21.330 1.00 0.00 N ATOM 728 CA LYS A 52 -15.790 5.972 22.119 1.00 0.00 C ATOM 729 C LYS A 52 -16.436 7.240 21.708 1.00 0.00 C ATOM 730 O LYS A 52 -17.631 7.298 21.460 1.00 0.00 O ATOM 731 CB LYS A 52 -15.523 6.073 23.584 1.00 0.00 C ATOM 732 CG LYS A 52 -14.558 5.085 24.090 1.00 0.00 C ATOM 733 CD LYS A 52 -14.649 4.906 25.615 1.00 0.00 C ATOM 734 CE LYS A 52 -14.417 6.203 26.383 1.00 0.00 C ATOM 735 NZ LYS A 52 -13.018 6.656 26.308 1.00 0.00 N ATOM 0 H LYS A 52 -13.744 6.110 21.722 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.429 5.107 21.942 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.152 7.074 23.806 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.463 5.955 24.122 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.735 4.126 23.603 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -13.548 5.397 23.823 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.632 4.510 25.871 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.915 4.166 25.933 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.070 6.980 25.985 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.694 6.058 27.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.524 6.405 27.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.547 6.196 25.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.994 7.688 26.179 1.00 0.00 H new ATOM 749 N HIS A 53 -15.652 8.253 21.638 1.00 0.00 N ATOM 750 CA HIS A 53 -16.236 9.572 21.407 1.00 0.00 C ATOM 751 C HIS A 53 -15.331 10.458 20.570 1.00 0.00 C ATOM 752 O HIS A 53 -14.130 10.506 20.816 1.00 0.00 O ATOM 753 CB HIS A 53 -16.534 10.242 22.776 1.00 0.00 C ATOM 754 CG HIS A 53 -17.390 11.481 22.711 1.00 0.00 C ATOM 755 ND1 HIS A 53 -18.764 11.460 22.795 1.00 0.00 N ATOM 756 CD2 HIS A 53 -17.049 12.785 22.580 1.00 0.00 C ATOM 757 CE1 HIS A 53 -19.203 12.719 22.712 1.00 0.00 C ATOM 758 NE2 HIS A 53 -18.208 13.561 22.581 1.00 0.00 N ATOM 0 H HIS A 53 -14.637 8.225 21.730 1.00 0.00 H new ATOM 0 HA HIS A 53 -17.161 9.443 20.845 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -17.026 9.513 23.420 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -15.587 10.498 23.251 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -16.042 13.163 22.489 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -20.244 13.006 22.748 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -18.268 14.576 22.497 1.00 0.00 H new ATOM 766 N PRO A 54 -15.873 11.122 19.526 1.00 0.00 N ATOM 767 CA PRO A 54 -15.125 12.114 18.777 1.00 0.00 C ATOM 768 C PRO A 54 -15.060 13.389 19.604 1.00 0.00 C ATOM 769 O PRO A 54 -16.057 14.078 19.788 1.00 0.00 O ATOM 770 CB PRO A 54 -15.955 12.340 17.497 1.00 0.00 C ATOM 771 CG PRO A 54 -17.082 11.356 17.558 1.00 0.00 C ATOM 772 CD PRO A 54 -17.233 10.960 18.998 1.00 0.00 C ATOM 0 HA PRO A 54 -14.104 11.810 18.545 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.331 13.362 17.451 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.348 12.183 16.605 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.003 11.799 17.180 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -16.869 10.485 16.938 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.948 11.597 19.519 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.587 9.934 19.100 1.00 0.00 H new ATOM 780 N GLY A 55 -13.904 13.681 20.082 1.00 0.00 N ATOM 781 CA GLY A 55 -13.726 14.736 21.019 1.00 0.00 C ATOM 782 C GLY A 55 -13.147 14.151 22.255 1.00 0.00 C ATOM 783 O GLY A 55 -12.656 13.021 22.226 1.00 0.00 O ATOM 0 H GLY A 55 -13.045 13.191 19.833 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.065 15.501 20.612 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.678 15.220 21.235 1.00 0.00 H new ATOM 787 N LYS A 56 -13.137 14.887 23.311 1.00 0.00 N ATOM 788 CA LYS A 56 -12.681 14.383 24.529 1.00 0.00 C ATOM 789 C LYS A 56 -13.787 13.701 25.270 1.00 0.00 C ATOM 790 O LYS A 56 -14.949 13.789 24.903 1.00 0.00 O ATOM 791 CB LYS A 56 -12.149 15.515 25.403 1.00 0.00 C ATOM 792 CG LYS A 56 -13.240 16.338 26.078 1.00 0.00 C ATOM 793 CD LYS A 56 -12.663 17.268 27.130 1.00 0.00 C ATOM 794 CE LYS A 56 -13.728 17.718 28.131 1.00 0.00 C ATOM 795 NZ LYS A 56 -14.292 16.573 28.912 1.00 0.00 N ATOM 0 H LYS A 56 -13.449 15.858 23.339 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.888 13.667 24.313 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.498 15.094 26.169 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.535 16.176 24.791 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.774 16.922 25.328 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.968 15.671 26.540 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.856 16.762 27.660 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.227 18.141 26.645 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.294 18.445 28.818 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.534 18.224 27.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.677 16.923 29.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.051 16.120 28.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.541 15.879 29.103 1.00 0.00 H new ATOM 809 N CYS A 57 -13.403 13.035 26.285 1.00 0.00 N ATOM 810 CA CYS A 57 -14.354 12.560 27.247 1.00 0.00 C ATOM 811 C CYS A 57 -14.504 13.650 28.295 1.00 0.00 C ATOM 812 O CYS A 57 -13.565 13.879 29.086 1.00 0.00 O ATOM 813 CB CYS A 57 -13.964 11.209 27.858 1.00 0.00 C ATOM 814 SG CYS A 57 -14.220 9.759 26.740 1.00 0.00 S ATOM 815 OXT CYS A 57 -15.505 14.394 28.256 1.00 0.00 O ATOM 0 H CYS A 57 -12.432 12.797 26.486 1.00 0.00 H new ATOM 0 HA CYS A 57 -15.309 12.365 26.760 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -12.914 11.246 28.150 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -14.543 11.056 28.769 1.00 0.00 H new TER 820 CYS A 57