USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 544 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 15 CYS SG : rot -158:sc= -0.356 USER MOD Set 1.2: A 59 TYR OH : rot -108:sc= 0.521 USER MOD Set 2.1: A 14 HIS : no HD1:sc=-0.00283 X(o=-0.0028,f=0) USER MOD Set 2.2: A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.172 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0104 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 94:sc= 0.452 USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= 0.969 (180deg=0.896) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.051 X(o=-0.051,f=-0.0052) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -172:sc= 1.3 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -120:sc= 1.27 (180deg=-0.0487) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.2! C(o=-2.2!,f=-7.1!) USER MOD Single : A 49 SER OG : rot -58:sc= 1.23 USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00977) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 11.286 4.346 2.952 1.00 0.00 N ATOM 19 CA ARG A 2 9.825 4.332 3.000 1.00 0.00 C ATOM 20 C ARG A 2 9.231 5.154 1.882 1.00 0.00 C ATOM 21 O ARG A 2 9.848 6.105 1.400 1.00 0.00 O ATOM 22 CB ARG A 2 9.282 4.690 4.391 1.00 0.00 C ATOM 23 CG ARG A 2 9.178 6.182 4.692 1.00 0.00 C ATOM 24 CD ARG A 2 8.945 6.421 6.189 1.00 0.00 C ATOM 25 NE ARG A 2 8.390 7.754 6.473 1.00 0.00 N ATOM 26 CZ ARG A 2 8.977 8.755 7.142 1.00 0.00 C ATOM 27 NH1 ARG A 2 10.283 8.757 7.378 1.00 0.00 N ATOM 28 NH2 ARG A 2 8.237 9.765 7.577 1.00 0.00 N ATOM 0 HA ARG A 2 9.497 3.307 2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.293 4.245 4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.924 4.230 5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.092 6.686 4.377 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.360 6.617 4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.265 5.660 6.572 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.888 6.304 6.722 1.00 0.00 H new ATOM 0 HE ARG A 2 7.451 7.937 6.120 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.862 7.985 7.048 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.708 9.530 7.890 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.232 9.774 7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 2 8.672 10.533 8.088 1.00 0.00 H new ATOM 42 N TYR A 3 8.016 4.776 1.506 1.00 0.00 N ATOM 43 CA TYR A 3 7.316 5.286 0.347 1.00 0.00 C ATOM 44 C TYR A 3 5.852 5.418 0.737 1.00 0.00 C ATOM 45 O TYR A 3 5.259 4.450 1.221 1.00 0.00 O ATOM 46 CB TYR A 3 7.487 4.314 -0.828 1.00 0.00 C ATOM 47 CG TYR A 3 8.924 3.902 -1.107 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.744 4.703 -1.922 1.00 0.00 C ATOM 49 CD2 TYR A 3 9.443 2.716 -0.546 1.00 0.00 C ATOM 50 CE1 TYR A 3 11.056 4.296 -2.218 1.00 0.00 C ATOM 51 CE2 TYR A 3 10.757 2.306 -0.838 1.00 0.00 C ATOM 52 CZ TYR A 3 11.555 3.079 -1.707 1.00 0.00 C ATOM 53 OH TYR A 3 12.784 2.635 -2.080 1.00 0.00 O ATOM 0 H TYR A 3 7.477 4.081 2.022 1.00 0.00 H new ATOM 0 HA TYR A 3 7.711 6.252 0.033 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.898 3.418 -0.630 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.074 4.774 -1.726 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.365 5.632 -2.321 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.828 2.119 0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.685 4.917 -2.839 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.153 1.403 -0.398 1.00 0.00 H new ATOM 0 HH TYR A 3 12.973 1.783 -1.635 1.00 0.00 H new ATOM 63 N VAL A 4 5.274 6.606 0.581 1.00 0.00 N ATOM 64 CA VAL A 4 3.835 6.811 0.698 1.00 0.00 C ATOM 65 C VAL A 4 3.243 6.467 -0.660 1.00 0.00 C ATOM 66 O VAL A 4 3.680 7.020 -1.669 1.00 0.00 O ATOM 67 CB VAL A 4 3.522 8.267 1.094 1.00 0.00 C ATOM 68 CG1 VAL A 4 2.015 8.564 1.066 1.00 0.00 C ATOM 69 CG2 VAL A 4 4.054 8.582 2.500 1.00 0.00 C ATOM 0 H VAL A 4 5.794 7.457 0.369 1.00 0.00 H new ATOM 0 HA VAL A 4 3.406 6.182 1.478 1.00 0.00 H new ATOM 0 HB VAL A 4 4.019 8.897 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.843 9.602 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.630 8.396 0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.501 7.905 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.820 9.616 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.586 7.915 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.134 8.439 2.521 1.00 0.00 H new ATOM 79 N LEU A 5 2.255 5.578 -0.708 1.00 0.00 N ATOM 80 CA LEU A 5 1.498 5.226 -1.898 1.00 0.00 C ATOM 81 C LEU A 5 0.102 5.841 -1.781 1.00 0.00 C ATOM 82 O LEU A 5 -0.415 5.972 -0.670 1.00 0.00 O ATOM 83 CB LEU A 5 1.361 3.705 -2.023 1.00 0.00 C ATOM 84 CG LEU A 5 2.476 2.803 -1.466 1.00 0.00 C ATOM 85 CD1 LEU A 5 2.050 1.342 -1.644 1.00 0.00 C ATOM 86 CD2 LEU A 5 3.821 3.036 -2.165 1.00 0.00 C ATOM 0 H LEU A 5 1.950 5.063 0.118 1.00 0.00 H new ATOM 0 HA LEU A 5 2.019 5.603 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.431 3.418 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.248 3.472 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 5 2.618 3.046 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.829 0.686 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.121 1.165 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.897 1.134 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.574 2.375 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.719 2.826 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.128 4.073 -2.028 1.00 0.00 H new ATOM 98 N TYR A 6 -0.542 6.133 -2.909 1.00 0.00 N ATOM 99 CA TYR A 6 -1.867 6.732 -2.989 1.00 0.00 C ATOM 100 C TYR A 6 -2.779 5.738 -3.709 1.00 0.00 C ATOM 101 O TYR A 6 -2.731 5.612 -4.934 1.00 0.00 O ATOM 102 CB TYR A 6 -1.765 8.094 -3.697 1.00 0.00 C ATOM 103 CG TYR A 6 -3.038 8.920 -3.693 1.00 0.00 C ATOM 104 CD1 TYR A 6 -3.791 9.077 -2.516 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.445 9.588 -4.861 1.00 0.00 C ATOM 106 CE1 TYR A 6 -4.959 9.856 -2.514 1.00 0.00 C ATOM 107 CE2 TYR A 6 -4.626 10.354 -4.875 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.402 10.479 -3.702 1.00 0.00 C ATOM 109 OH TYR A 6 -6.536 11.228 -3.706 1.00 0.00 O ATOM 0 H TYR A 6 -0.137 5.951 -3.827 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.293 6.930 -2.005 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.973 8.674 -3.223 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.462 7.927 -4.731 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.468 8.594 -1.606 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.846 9.513 -5.756 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.521 9.980 -1.600 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.939 10.847 -5.784 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.691 11.582 -4.606 1.00 0.00 H new ATOM 119 N VAL A 7 -3.540 4.965 -2.937 1.00 0.00 N ATOM 120 CA VAL A 7 -4.374 3.855 -3.389 1.00 0.00 C ATOM 121 C VAL A 7 -5.841 4.288 -3.214 1.00 0.00 C ATOM 122 O VAL A 7 -6.435 4.020 -2.165 1.00 0.00 O ATOM 123 CB VAL A 7 -4.007 2.551 -2.638 1.00 0.00 C ATOM 124 CG1 VAL A 7 -4.706 1.309 -3.228 1.00 0.00 C ATOM 125 CG2 VAL A 7 -2.492 2.289 -2.611 1.00 0.00 C ATOM 0 H VAL A 7 -3.594 5.104 -1.928 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.206 3.624 -4.441 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.361 2.711 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.413 0.424 -2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.787 1.437 -3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.413 1.188 -4.271 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.292 1.363 -2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.119 2.203 -3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.989 3.116 -2.110 1.00 0.00 H new ATOM 135 N PRO A 8 -6.447 4.993 -4.186 1.00 0.00 N ATOM 136 CA PRO A 8 -7.851 5.399 -4.115 1.00 0.00 C ATOM 137 C PRO A 8 -8.838 4.238 -3.926 1.00 0.00 C ATOM 138 O PRO A 8 -9.938 4.478 -3.424 1.00 0.00 O ATOM 139 CB PRO A 8 -8.132 6.181 -5.401 1.00 0.00 C ATOM 140 CG PRO A 8 -7.049 5.688 -6.357 1.00 0.00 C ATOM 141 CD PRO A 8 -5.862 5.460 -5.435 1.00 0.00 C ATOM 0 HA PRO A 8 -8.006 6.008 -3.224 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.131 5.977 -5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.066 7.257 -5.240 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.347 4.772 -6.867 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.826 6.424 -7.129 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.174 4.723 -5.850 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.294 6.378 -5.287 1.00 0.00 H new ATOM 149 N ASP A 9 -8.452 2.995 -4.234 1.00 0.00 N ATOM 150 CA ASP A 9 -9.284 1.809 -4.015 1.00 0.00 C ATOM 151 C ASP A 9 -9.535 1.590 -2.523 1.00 0.00 C ATOM 152 O ASP A 9 -10.493 0.907 -2.162 1.00 0.00 O ATOM 153 CB ASP A 9 -8.664 0.539 -4.626 1.00 0.00 C ATOM 154 CG ASP A 9 -8.891 0.394 -6.132 1.00 0.00 C ATOM 155 OD1 ASP A 9 -8.144 1.054 -6.891 1.00 0.00 O ATOM 156 OD2 ASP A 9 -9.777 -0.395 -6.536 1.00 0.00 O ATOM 0 H ASP A 9 -7.544 2.783 -4.647 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.232 1.995 -4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.592 0.541 -4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.079 -0.334 -4.121 1.00 0.00 H new ATOM 161 N ILE A 10 -8.754 2.210 -1.621 1.00 0.00 N ATOM 162 CA ILE A 10 -9.040 2.200 -0.187 1.00 0.00 C ATOM 163 C ILE A 10 -10.251 3.130 0.114 1.00 0.00 C ATOM 164 O ILE A 10 -10.419 3.600 1.238 1.00 0.00 O ATOM 165 CB ILE A 10 -7.830 2.599 0.694 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.507 1.952 0.269 1.00 0.00 C ATOM 167 CG2 ILE A 10 -8.011 2.155 2.177 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.306 2.729 0.815 1.00 0.00 C ATOM 0 H ILE A 10 -7.912 2.728 -1.870 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.278 1.169 0.074 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.792 3.682 0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.471 0.924 0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.453 1.912 -0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.138 2.456 2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.902 2.626 2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.120 1.071 2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.383 2.244 0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.330 3.750 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.349 2.746 1.904 1.00 0.00 H new ATOM 180 N SER A 11 -11.112 3.463 -0.851 1.00 0.00 N ATOM 181 CA SER A 11 -12.307 4.259 -0.603 1.00 0.00 C ATOM 182 C SER A 11 -13.213 3.631 0.475 1.00 0.00 C ATOM 183 O SER A 11 -14.060 4.345 1.015 1.00 0.00 O ATOM 184 CB SER A 11 -13.061 4.508 -1.922 1.00 0.00 C ATOM 185 OG SER A 11 -13.153 5.893 -2.217 1.00 0.00 O ATOM 0 H SER A 11 -10.996 3.186 -1.826 1.00 0.00 H new ATOM 0 HA SER A 11 -11.994 5.224 -0.204 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.550 3.995 -2.737 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.062 4.082 -1.856 1.00 0.00 H new ATOM 0 HG SER A 11 -13.636 6.016 -3.061 1.00 0.00 H new ATOM 191 N CYS A 12 -13.030 2.353 0.845 1.00 0.00 N ATOM 192 CA CYS A 12 -13.826 1.670 1.859 1.00 0.00 C ATOM 193 C CYS A 12 -12.981 0.944 2.917 1.00 0.00 C ATOM 194 O CYS A 12 -11.804 0.639 2.728 1.00 0.00 O ATOM 195 CB CYS A 12 -14.771 0.691 1.159 1.00 0.00 C ATOM 196 SG CYS A 12 -16.023 1.610 0.226 1.00 0.00 S ATOM 0 H CYS A 12 -12.308 1.760 0.435 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.388 2.428 2.405 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.207 0.043 0.488 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -15.252 0.047 1.895 1.00 0.00 H new ATOM 0 HG CYS A 12 -16.822 0.774 -0.368 1.00 0.00 H new ATOM 202 N ASN A 13 -13.625 0.614 4.036 1.00 0.00 N ATOM 203 CA ASN A 13 -13.046 0.006 5.231 1.00 0.00 C ATOM 204 C ASN A 13 -12.493 -1.386 4.948 1.00 0.00 C ATOM 205 O ASN A 13 -11.404 -1.711 5.417 1.00 0.00 O ATOM 206 CB ASN A 13 -14.126 -0.073 6.332 1.00 0.00 C ATOM 207 CG ASN A 13 -13.709 0.648 7.600 1.00 0.00 C ATOM 208 OD1 ASN A 13 -12.615 0.421 8.110 1.00 0.00 O ATOM 209 ND2 ASN A 13 -14.577 1.455 8.179 1.00 0.00 N ATOM 0 H ASN A 13 -14.627 0.775 4.137 1.00 0.00 H new ATOM 0 HA ASN A 13 -12.214 0.628 5.561 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -15.054 0.360 5.959 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -14.332 -1.118 6.562 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.344 1.903 9.066 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -15.481 1.631 7.740 1.00 0.00 H new ATOM 216 N HIS A 14 -13.210 -2.221 4.188 1.00 0.00 N ATOM 217 CA HIS A 14 -12.712 -3.552 3.829 1.00 0.00 C ATOM 218 C HIS A 14 -11.439 -3.434 2.984 1.00 0.00 C ATOM 219 O HIS A 14 -10.498 -4.209 3.164 1.00 0.00 O ATOM 220 CB HIS A 14 -13.800 -4.341 3.085 1.00 0.00 C ATOM 221 CG HIS A 14 -13.412 -5.773 2.790 1.00 0.00 C ATOM 222 ND1 HIS A 14 -13.511 -6.403 1.571 1.00 0.00 N ATOM 223 CD2 HIS A 14 -12.930 -6.690 3.687 1.00 0.00 C ATOM 224 CE1 HIS A 14 -13.121 -7.677 1.731 1.00 0.00 C ATOM 225 NE2 HIS A 14 -12.751 -7.902 3.008 1.00 0.00 N ATOM 0 H HIS A 14 -14.132 -2.000 3.812 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.462 -4.095 4.740 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.713 -4.336 3.681 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.028 -3.834 2.147 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.725 -6.510 4.732 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.106 -8.419 0.946 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.409 -8.779 3.401 1.00 0.00 H new ATOM 233 N CYS A 15 -11.379 -2.433 2.102 1.00 0.00 N ATOM 234 CA CYS A 15 -10.260 -2.200 1.204 1.00 0.00 C ATOM 235 C CYS A 15 -8.941 -2.006 1.960 1.00 0.00 C ATOM 236 O CYS A 15 -7.885 -2.428 1.487 1.00 0.00 O ATOM 237 CB CYS A 15 -10.582 -1.011 0.304 1.00 0.00 C ATOM 238 SG CYS A 15 -12.176 -1.225 -0.534 1.00 0.00 S ATOM 0 H CYS A 15 -12.128 -1.749 1.995 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.117 -3.086 0.585 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.602 -0.098 0.899 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.793 -0.891 -0.438 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.207 -0.486 -1.603 1.00 0.00 H new ATOM 244 N LYS A 16 -8.994 -1.439 3.169 1.00 0.00 N ATOM 245 CA LYS A 16 -7.837 -1.304 4.044 1.00 0.00 C ATOM 246 C LYS A 16 -7.204 -2.665 4.351 1.00 0.00 C ATOM 247 O LYS A 16 -5.986 -2.805 4.209 1.00 0.00 O ATOM 248 CB LYS A 16 -8.241 -0.477 5.276 1.00 0.00 C ATOM 249 CG LYS A 16 -7.183 -0.434 6.390 1.00 0.00 C ATOM 250 CD LYS A 16 -7.319 0.871 7.178 1.00 0.00 C ATOM 251 CE LYS A 16 -6.299 1.034 8.301 1.00 0.00 C ATOM 252 NZ LYS A 16 -6.560 0.218 9.500 1.00 0.00 N ATOM 0 H LYS A 16 -9.853 -1.059 3.567 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.038 -0.754 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.457 0.543 4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.165 -0.886 5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.307 -1.288 7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.184 -0.508 5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.221 1.710 6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.321 0.923 7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.312 0.781 7.915 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.267 2.084 8.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.818 0.393 10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.486 0.473 9.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.560 -0.789 9.241 1.00 0.00 H new ATOM 266 N MET A 17 -7.992 -3.685 4.715 1.00 0.00 N ATOM 267 CA MET A 17 -7.518 -5.019 4.917 1.00 0.00 C ATOM 268 C MET A 17 -6.925 -5.595 3.631 1.00 0.00 C ATOM 269 O MET A 17 -5.859 -6.197 3.698 1.00 0.00 O ATOM 270 CB MET A 17 -8.666 -5.852 5.479 1.00 0.00 C ATOM 271 CG MET A 17 -8.193 -7.285 5.547 1.00 0.00 C ATOM 272 SD MET A 17 -9.009 -8.425 6.690 1.00 0.00 S ATOM 273 CE MET A 17 -10.705 -8.380 6.071 1.00 0.00 C ATOM 0 H MET A 17 -8.994 -3.582 4.875 1.00 0.00 H new ATOM 0 HA MET A 17 -6.701 -5.031 5.638 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.951 -5.495 6.468 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.548 -5.769 4.844 1.00 0.00 H new ATOM 0 HG2 MET A 17 -8.277 -7.707 4.546 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.133 -7.270 5.799 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.331 -9.036 6.676 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.086 -7.360 6.128 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.723 -8.717 5.034 1.00 0.00 H new ATOM 283 N ARG A 18 -7.583 -5.426 2.477 1.00 0.00 N ATOM 284 CA ARG A 18 -7.194 -6.077 1.216 1.00 0.00 C ATOM 285 C ARG A 18 -5.713 -5.878 0.908 1.00 0.00 C ATOM 286 O ARG A 18 -5.002 -6.837 0.616 1.00 0.00 O ATOM 287 CB ARG A 18 -8.069 -5.615 0.058 1.00 0.00 C ATOM 288 CG ARG A 18 -9.532 -5.958 0.366 1.00 0.00 C ATOM 289 CD ARG A 18 -10.284 -6.472 -0.845 1.00 0.00 C ATOM 290 NE ARG A 18 -10.017 -7.874 -1.195 1.00 0.00 N ATOM 291 CZ ARG A 18 -10.481 -8.448 -2.315 1.00 0.00 C ATOM 292 NH1 ARG A 18 -11.330 -7.801 -3.113 1.00 0.00 N ATOM 293 NH2 ARG A 18 -10.101 -9.682 -2.617 1.00 0.00 N ATOM 0 H ARG A 18 -8.406 -4.830 2.390 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.355 -7.147 1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.958 -4.541 -0.092 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.756 -6.100 -0.867 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.566 -6.710 1.154 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.035 -5.071 0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.353 -6.355 -0.666 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.034 -5.846 -1.701 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.453 -8.436 -0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.635 -6.857 -2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.675 -8.250 -3.962 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.462 -10.184 -2.000 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.447 -10.129 -3.466 1.00 0.00 H new ATOM 307 N ILE A 19 -5.248 -4.634 1.027 1.00 0.00 N ATOM 308 CA ILE A 19 -3.848 -4.282 0.835 1.00 0.00 C ATOM 309 C ILE A 19 -2.992 -4.993 1.879 1.00 0.00 C ATOM 310 O ILE A 19 -2.101 -5.757 1.515 1.00 0.00 O ATOM 311 CB ILE A 19 -3.668 -2.752 0.869 1.00 0.00 C ATOM 312 CG1 ILE A 19 -4.504 -2.104 -0.250 1.00 0.00 C ATOM 313 CG2 ILE A 19 -2.181 -2.388 0.717 1.00 0.00 C ATOM 314 CD1 ILE A 19 -4.432 -0.585 -0.204 1.00 0.00 C ATOM 0 H ILE A 19 -5.841 -3.838 1.262 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.516 -4.616 -0.148 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.016 -2.372 1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.148 -2.455 -1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.543 -2.421 -0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.067 -1.304 0.743 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.612 -2.832 1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.808 -2.770 -0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.035 -0.168 -1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.812 -0.232 0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.397 -0.266 -0.323 1.00 0.00 H new ATOM 326 N SER A 20 -3.238 -4.742 3.169 1.00 0.00 N ATOM 327 CA SER A 20 -2.373 -5.249 4.228 1.00 0.00 C ATOM 328 C SER A 20 -2.267 -6.755 4.202 1.00 0.00 C ATOM 329 O SER A 20 -1.211 -7.284 4.520 1.00 0.00 O ATOM 330 CB SER A 20 -2.925 -4.871 5.574 1.00 0.00 C ATOM 331 OG SER A 20 -2.054 -5.097 6.664 1.00 0.00 O ATOM 0 H SER A 20 -4.030 -4.191 3.500 1.00 0.00 H new ATOM 0 HA SER A 20 -1.390 -4.809 4.060 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.193 -3.815 5.556 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.845 -5.430 5.742 1.00 0.00 H new ATOM 0 HG SER A 20 -1.553 -4.277 6.858 1.00 0.00 H new ATOM 337 N LYS A 21 -3.343 -7.441 3.815 1.00 0.00 N ATOM 338 CA LYS A 21 -3.346 -8.881 3.743 1.00 0.00 C ATOM 339 C LYS A 21 -2.178 -9.327 2.864 1.00 0.00 C ATOM 340 O LYS A 21 -1.393 -10.200 3.219 1.00 0.00 O ATOM 341 CB LYS A 21 -4.675 -9.367 3.123 1.00 0.00 C ATOM 342 CG LYS A 21 -5.816 -9.724 4.081 1.00 0.00 C ATOM 343 CD LYS A 21 -5.803 -11.206 4.495 1.00 0.00 C ATOM 344 CE LYS A 21 -7.222 -11.770 4.623 1.00 0.00 C ATOM 345 NZ LYS A 21 -7.894 -11.371 5.875 1.00 0.00 N ATOM 0 H LYS A 21 -4.226 -7.007 3.547 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.245 -9.304 4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.034 -8.591 2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.460 -10.245 2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.744 -9.101 4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.769 -9.492 3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.246 -11.785 3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.281 -11.314 5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.818 -11.433 3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.180 -12.858 4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.766 -11.926 5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.260 -11.547 6.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.130 -10.359 5.835 1.00 0.00 H new ATOM 359 N ALA A 22 -2.088 -8.716 1.679 1.00 0.00 N ATOM 360 CA ALA A 22 -1.026 -8.972 0.727 1.00 0.00 C ATOM 361 C ALA A 22 0.320 -8.457 1.240 1.00 0.00 C ATOM 362 O ALA A 22 1.339 -9.076 0.964 1.00 0.00 O ATOM 363 CB ALA A 22 -1.375 -8.306 -0.605 1.00 0.00 C ATOM 0 H ALA A 22 -2.764 -8.022 1.359 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.934 -10.049 0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.579 -8.495 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.312 -8.716 -0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.483 -7.231 -0.457 1.00 0.00 H new ATOM 369 N LEU A 23 0.353 -7.323 1.947 1.00 0.00 N ATOM 370 CA LEU A 23 1.579 -6.683 2.428 1.00 0.00 C ATOM 371 C LEU A 23 2.249 -7.522 3.536 1.00 0.00 C ATOM 372 O LEU A 23 3.454 -7.757 3.521 1.00 0.00 O ATOM 373 CB LEU A 23 1.245 -5.288 2.964 1.00 0.00 C ATOM 374 CG LEU A 23 0.964 -4.133 2.000 1.00 0.00 C ATOM 375 CD1 LEU A 23 0.767 -2.856 2.841 1.00 0.00 C ATOM 376 CD2 LEU A 23 2.108 -3.900 1.013 1.00 0.00 C ATOM 0 H LEU A 23 -0.492 -6.814 2.206 1.00 0.00 H new ATOM 0 HA LEU A 23 2.278 -6.604 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.371 -5.391 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.074 -4.981 3.601 1.00 0.00 H new ATOM 0 HG LEU A 23 0.078 -4.382 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.564 -2.013 2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.074 -2.994 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.671 -2.657 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.856 -3.070 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.020 -3.663 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.265 -4.800 0.419 1.00 0.00 H new ATOM 388 N GLU A 24 1.503 -7.952 4.544 1.00 0.00 N ATOM 389 CA GLU A 24 1.961 -8.896 5.565 1.00 0.00 C ATOM 390 C GLU A 24 2.568 -10.169 4.941 1.00 0.00 C ATOM 391 O GLU A 24 3.608 -10.650 5.395 1.00 0.00 O ATOM 392 CB GLU A 24 0.769 -9.217 6.481 1.00 0.00 C ATOM 393 CG GLU A 24 0.447 -8.038 7.418 1.00 0.00 C ATOM 394 CD GLU A 24 1.150 -8.149 8.767 1.00 0.00 C ATOM 395 OE1 GLU A 24 0.731 -9.005 9.586 1.00 0.00 O ATOM 396 OE2 GLU A 24 2.069 -7.341 9.031 1.00 0.00 O ATOM 0 H GLU A 24 0.539 -7.649 4.682 1.00 0.00 H new ATOM 0 HA GLU A 24 2.763 -8.446 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.106 -9.451 5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.992 -10.104 7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.740 -7.105 6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.630 -7.990 7.577 1.00 0.00 H new ATOM 403 N GLU A 25 1.977 -10.699 3.867 1.00 0.00 N ATOM 404 CA GLU A 25 2.487 -11.890 3.186 1.00 0.00 C ATOM 405 C GLU A 25 3.673 -11.537 2.272 1.00 0.00 C ATOM 406 O GLU A 25 4.609 -12.329 2.125 1.00 0.00 O ATOM 407 CB GLU A 25 1.341 -12.564 2.421 1.00 0.00 C ATOM 408 CG GLU A 25 0.276 -13.160 3.370 1.00 0.00 C ATOM 409 CD GLU A 25 0.152 -14.688 3.329 1.00 0.00 C ATOM 410 OE1 GLU A 25 1.172 -15.415 3.205 1.00 0.00 O ATOM 411 OE2 GLU A 25 -0.994 -15.181 3.419 1.00 0.00 O ATOM 0 H GLU A 25 1.132 -10.314 3.446 1.00 0.00 H new ATOM 0 HA GLU A 25 2.868 -12.598 3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.870 -11.836 1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.744 -13.355 1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.510 -12.857 4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.693 -12.725 3.123 1.00 0.00 H new ATOM 418 N LEU A 26 3.708 -10.316 1.730 1.00 0.00 N ATOM 419 CA LEU A 26 4.850 -9.688 1.091 1.00 0.00 C ATOM 420 C LEU A 26 5.995 -9.535 2.101 1.00 0.00 C ATOM 421 O LEU A 26 7.161 -9.518 1.709 1.00 0.00 O ATOM 422 CB LEU A 26 4.363 -8.350 0.502 1.00 0.00 C ATOM 423 CG LEU A 26 5.426 -7.418 -0.063 1.00 0.00 C ATOM 424 CD1 LEU A 26 5.999 -7.937 -1.375 1.00 0.00 C ATOM 425 CD2 LEU A 26 4.821 -6.037 -0.319 1.00 0.00 C ATOM 0 H LEU A 26 2.887 -9.710 1.730 1.00 0.00 H new ATOM 0 HA LEU A 26 5.254 -10.294 0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.648 -8.569 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.821 -7.814 1.281 1.00 0.00 H new ATOM 0 HG LEU A 26 6.228 -7.362 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.754 -7.242 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.454 -8.914 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.200 -8.027 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.586 -5.374 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.003 -6.125 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.443 -5.626 0.617 1.00 0.00 H new ATOM 437 N GLY A 27 5.709 -9.584 3.404 1.00 0.00 N ATOM 438 CA GLY A 27 6.701 -9.534 4.464 1.00 0.00 C ATOM 439 C GLY A 27 7.134 -8.097 4.700 1.00 0.00 C ATOM 440 O GLY A 27 8.323 -7.840 4.912 1.00 0.00 O ATOM 0 H GLY A 27 4.754 -9.662 3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.287 -9.954 5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.564 -10.143 4.195 1.00 0.00 H new ATOM 444 N VAL A 28 6.202 -7.145 4.580 1.00 0.00 N ATOM 445 CA VAL A 28 6.441 -5.805 5.075 1.00 0.00 C ATOM 446 C VAL A 28 6.449 -5.867 6.604 1.00 0.00 C ATOM 447 O VAL A 28 5.544 -6.429 7.226 1.00 0.00 O ATOM 448 CB VAL A 28 5.418 -4.800 4.510 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.045 -4.852 5.161 1.00 0.00 C ATOM 450 CG2 VAL A 28 5.972 -3.378 4.628 1.00 0.00 C ATOM 0 H VAL A 28 5.289 -7.285 4.148 1.00 0.00 H new ATOM 0 HA VAL A 28 7.408 -5.437 4.733 1.00 0.00 H new ATOM 0 HB VAL A 28 5.272 -5.090 3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.395 -4.110 4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.616 -5.845 5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.139 -4.638 6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.246 -2.670 4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.163 -3.148 5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.902 -3.302 4.064 1.00 0.00 H new ATOM 460 N LYS A 29 7.446 -5.231 7.208 1.00 0.00 N ATOM 461 CA LYS A 29 7.530 -5.098 8.664 1.00 0.00 C ATOM 462 C LYS A 29 6.934 -3.794 9.152 1.00 0.00 C ATOM 463 O LYS A 29 6.422 -3.750 10.265 1.00 0.00 O ATOM 464 CB LYS A 29 8.991 -5.243 9.119 1.00 0.00 C ATOM 465 CG LYS A 29 9.312 -6.609 9.741 1.00 0.00 C ATOM 466 CD LYS A 29 10.486 -7.278 9.030 1.00 0.00 C ATOM 467 CE LYS A 29 9.987 -8.145 7.868 1.00 0.00 C ATOM 468 NZ LYS A 29 11.095 -8.757 7.112 1.00 0.00 N ATOM 0 H LYS A 29 8.219 -4.793 6.707 1.00 0.00 H new ATOM 0 HA LYS A 29 6.939 -5.898 9.109 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.646 -5.081 8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.215 -4.462 9.845 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.547 -6.484 10.798 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.434 -7.253 9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.173 -6.519 8.656 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.044 -7.893 9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.337 -8.930 8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.384 -7.535 7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.710 -9.334 6.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.702 -8.009 6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.656 -9.360 7.746 1.00 0.00 H new ATOM 482 N ASN A 30 6.989 -2.723 8.366 1.00 0.00 N ATOM 483 CA ASN A 30 6.624 -1.390 8.818 1.00 0.00 C ATOM 484 C ASN A 30 5.845 -0.786 7.677 1.00 0.00 C ATOM 485 O ASN A 30 6.358 -0.714 6.561 1.00 0.00 O ATOM 486 CB ASN A 30 7.864 -0.579 9.190 1.00 0.00 C ATOM 487 CG ASN A 30 8.523 -1.102 10.445 1.00 0.00 C ATOM 488 OD1 ASN A 30 8.091 -0.820 11.555 1.00 0.00 O ATOM 489 ND2 ASN A 30 9.582 -1.876 10.292 1.00 0.00 N ATOM 0 H ASN A 30 7.290 -2.759 7.392 1.00 0.00 H new ATOM 0 HA ASN A 30 6.022 -1.406 9.727 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.577 -0.608 8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.585 0.465 9.334 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.060 -2.254 11.110 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.922 -2.096 9.356 1.00 0.00 H new ATOM 496 N TYR A 31 4.578 -0.485 7.917 1.00 0.00 N ATOM 497 CA TYR A 31 3.644 -0.030 6.912 1.00 0.00 C ATOM 498 C TYR A 31 2.501 0.692 7.583 1.00 0.00 C ATOM 499 O TYR A 31 2.342 0.651 8.807 1.00 0.00 O ATOM 500 CB TYR A 31 3.120 -1.225 6.103 1.00 0.00 C ATOM 501 CG TYR A 31 2.188 -2.127 6.899 1.00 0.00 C ATOM 502 CD1 TYR A 31 2.731 -3.145 7.692 1.00 0.00 C ATOM 503 CD2 TYR A 31 0.794 -1.910 6.914 1.00 0.00 C ATOM 504 CE1 TYR A 31 1.917 -3.927 8.517 1.00 0.00 C ATOM 505 CE2 TYR A 31 -0.031 -2.664 7.773 1.00 0.00 C ATOM 506 CZ TYR A 31 0.536 -3.655 8.613 1.00 0.00 C ATOM 507 OH TYR A 31 -0.241 -4.386 9.459 1.00 0.00 O ATOM 0 H TYR A 31 4.164 -0.554 8.847 1.00 0.00 H new ATOM 0 HA TYR A 31 4.148 0.655 6.230 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.594 -0.856 5.223 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.966 -1.812 5.746 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.795 -3.329 7.666 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.358 -1.164 6.266 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.346 -4.741 9.082 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.096 -2.486 7.791 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.168 -4.071 9.406 1.00 0.00 H new ATOM 517 N GLU A 32 1.663 1.308 6.761 1.00 0.00 N ATOM 518 CA GLU A 32 0.436 1.908 7.219 1.00 0.00 C ATOM 519 C GLU A 32 -0.596 1.883 6.092 1.00 0.00 C ATOM 520 O GLU A 32 -0.232 1.670 4.937 1.00 0.00 O ATOM 521 CB GLU A 32 0.764 3.329 7.684 1.00 0.00 C ATOM 522 CG GLU A 32 -0.105 3.679 8.888 1.00 0.00 C ATOM 523 CD GLU A 32 -0.942 4.915 8.611 1.00 0.00 C ATOM 524 OE1 GLU A 32 -1.791 4.803 7.702 1.00 0.00 O ATOM 525 OE2 GLU A 32 -0.706 5.961 9.260 1.00 0.00 O ATOM 0 H GLU A 32 1.823 1.401 5.758 1.00 0.00 H new ATOM 0 HA GLU A 32 0.002 1.358 8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.819 3.403 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.588 4.038 6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.757 2.839 9.127 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.526 3.850 9.760 1.00 0.00 H new ATOM 532 N VAL A 33 -1.874 2.087 6.410 1.00 0.00 N ATOM 533 CA VAL A 33 -2.987 2.195 5.477 1.00 0.00 C ATOM 534 C VAL A 33 -4.017 3.131 6.124 1.00 0.00 C ATOM 535 O VAL A 33 -4.397 2.900 7.273 1.00 0.00 O ATOM 536 CB VAL A 33 -3.613 0.812 5.172 1.00 0.00 C ATOM 537 CG1 VAL A 33 -4.652 0.951 4.048 1.00 0.00 C ATOM 538 CG2 VAL A 33 -2.621 -0.292 4.763 1.00 0.00 C ATOM 0 H VAL A 33 -2.173 2.186 7.380 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.643 2.590 4.521 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.054 0.497 6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.091 -0.024 3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.436 1.641 4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.167 1.334 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.165 -1.217 4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.092 0.011 3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.903 -0.452 5.567 1.00 0.00 H new ATOM 548 N SER A 34 -4.536 4.108 5.378 1.00 0.00 N ATOM 549 CA SER A 34 -5.539 5.067 5.826 1.00 0.00 C ATOM 550 C SER A 34 -6.701 5.096 4.839 1.00 0.00 C ATOM 551 O SER A 34 -6.489 5.363 3.654 1.00 0.00 O ATOM 552 CB SER A 34 -4.910 6.456 5.919 1.00 0.00 C ATOM 553 OG SER A 34 -4.150 6.618 7.090 1.00 0.00 O ATOM 0 H SER A 34 -4.256 4.256 4.408 1.00 0.00 H new ATOM 0 HA SER A 34 -5.910 4.770 6.807 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.275 6.624 5.049 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.695 7.211 5.890 1.00 0.00 H new ATOM 0 HG SER A 34 -3.865 7.552 7.169 1.00 0.00 H new ATOM 559 N VAL A 35 -7.920 4.843 5.326 1.00 0.00 N ATOM 560 CA VAL A 35 -9.156 4.958 4.550 1.00 0.00 C ATOM 561 C VAL A 35 -9.396 6.425 4.193 1.00 0.00 C ATOM 562 O VAL A 35 -9.578 6.744 3.018 1.00 0.00 O ATOM 563 CB VAL A 35 -10.355 4.358 5.328 1.00 0.00 C ATOM 564 CG1 VAL A 35 -11.673 4.447 4.541 1.00 0.00 C ATOM 565 CG2 VAL A 35 -10.130 2.882 5.692 1.00 0.00 C ATOM 0 H VAL A 35 -8.077 4.547 6.289 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.056 4.387 3.627 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.428 4.959 6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.480 4.013 5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.900 5.492 4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.575 3.900 3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.996 2.505 6.236 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.992 2.300 4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.242 2.793 6.318 1.00 0.00 H new ATOM 575 N GLU A 36 -9.385 7.318 5.188 1.00 0.00 N ATOM 576 CA GLU A 36 -9.679 8.734 4.978 1.00 0.00 C ATOM 577 C GLU A 36 -8.669 9.327 4.001 1.00 0.00 C ATOM 578 O GLU A 36 -9.036 10.064 3.089 1.00 0.00 O ATOM 579 CB GLU A 36 -9.649 9.476 6.319 1.00 0.00 C ATOM 580 CG GLU A 36 -10.889 9.200 7.185 1.00 0.00 C ATOM 581 CD GLU A 36 -11.870 10.376 7.220 1.00 0.00 C ATOM 582 OE1 GLU A 36 -12.371 10.777 6.144 1.00 0.00 O ATOM 583 OE2 GLU A 36 -12.222 10.850 8.324 1.00 0.00 O ATOM 0 H GLU A 36 -9.173 7.078 6.156 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.676 8.843 4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.755 9.184 6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.573 10.547 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.402 8.317 6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.571 8.969 8.202 1.00 0.00 H new ATOM 590 N GLU A 37 -7.397 8.955 4.150 1.00 0.00 N ATOM 591 CA GLU A 37 -6.340 9.536 3.344 1.00 0.00 C ATOM 592 C GLU A 37 -6.203 8.831 1.987 1.00 0.00 C ATOM 593 O GLU A 37 -5.545 9.382 1.111 1.00 0.00 O ATOM 594 CB GLU A 37 -5.000 9.498 4.085 1.00 0.00 C ATOM 595 CG GLU A 37 -4.998 10.103 5.497 1.00 0.00 C ATOM 596 CD GLU A 37 -3.582 10.055 6.065 1.00 0.00 C ATOM 597 OE1 GLU A 37 -2.777 10.955 5.730 1.00 0.00 O ATOM 598 OE2 GLU A 37 -3.220 9.053 6.731 1.00 0.00 O ATOM 0 H GLU A 37 -7.081 8.255 4.822 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.616 10.574 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.674 8.460 4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.259 10.025 3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.354 11.133 5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.680 9.550 6.143 1.00 0.00 H new ATOM 605 N LYS A 38 -6.807 7.647 1.786 1.00 0.00 N ATOM 606 CA LYS A 38 -6.574 6.763 0.635 1.00 0.00 C ATOM 607 C LYS A 38 -5.082 6.495 0.432 1.00 0.00 C ATOM 608 O LYS A 38 -4.576 6.449 -0.691 1.00 0.00 O ATOM 609 CB LYS A 38 -7.252 7.313 -0.627 1.00 0.00 C ATOM 610 CG LYS A 38 -8.782 7.256 -0.575 1.00 0.00 C ATOM 611 CD LYS A 38 -9.327 8.163 -1.682 1.00 0.00 C ATOM 612 CE LYS A 38 -10.817 7.938 -1.940 1.00 0.00 C ATOM 613 NZ LYS A 38 -11.336 9.000 -2.828 1.00 0.00 N ATOM 0 H LYS A 38 -7.491 7.269 2.441 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.035 5.798 0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.940 8.347 -0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.905 6.748 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.130 6.233 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.143 7.585 0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.162 9.205 -1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.771 7.983 -2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.973 6.961 -2.397 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.363 7.940 -0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.349 8.843 -3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.201 9.927 -2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.823 8.978 -3.732 1.00 0.00 H new ATOM 627 N LYS A 39 -4.337 6.336 1.524 1.00 0.00 N ATOM 628 CA LYS A 39 -2.883 6.228 1.485 1.00 0.00 C ATOM 629 C LYS A 39 -2.416 4.931 2.100 1.00 0.00 C ATOM 630 O LYS A 39 -3.120 4.309 2.896 1.00 0.00 O ATOM 631 CB LYS A 39 -2.238 7.437 2.183 1.00 0.00 C ATOM 632 CG LYS A 39 -1.883 8.530 1.162 1.00 0.00 C ATOM 633 CD LYS A 39 -1.756 9.937 1.757 1.00 0.00 C ATOM 634 CE LYS A 39 -0.951 9.975 3.060 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.030 11.296 3.717 1.00 0.00 N ATOM 0 H LYS A 39 -4.728 6.278 2.464 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.568 6.227 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.922 7.839 2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.339 7.121 2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.942 8.267 0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.647 8.545 0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.281 10.591 1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.753 10.337 1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.324 9.209 3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.091 9.736 2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.075 11.699 3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.625 11.932 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.446 11.188 4.664 1.00 0.00 H new ATOM 649 N VAL A 40 -1.198 4.554 1.746 1.00 0.00 N ATOM 650 CA VAL A 40 -0.425 3.480 2.332 1.00 0.00 C ATOM 651 C VAL A 40 0.940 4.081 2.631 1.00 0.00 C ATOM 652 O VAL A 40 1.373 5.005 1.941 1.00 0.00 O ATOM 653 CB VAL A 40 -0.355 2.298 1.339 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.559 1.131 1.733 1.00 0.00 C ATOM 655 CG2 VAL A 40 -1.754 1.740 1.102 1.00 0.00 C ATOM 0 H VAL A 40 -0.694 5.023 0.993 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.864 3.080 3.246 1.00 0.00 H new ATOM 0 HB VAL A 40 0.087 2.734 0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.524 0.364 0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.582 1.491 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.221 0.707 2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.700 0.907 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.172 1.393 2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.392 2.521 0.688 1.00 0.00 H new ATOM 665 N VAL A 41 1.650 3.512 3.594 1.00 0.00 N ATOM 666 CA VAL A 41 3.096 3.622 3.665 1.00 0.00 C ATOM 667 C VAL A 41 3.612 2.193 3.680 1.00 0.00 C ATOM 668 O VAL A 41 2.927 1.298 4.171 1.00 0.00 O ATOM 669 CB VAL A 41 3.553 4.450 4.883 1.00 0.00 C ATOM 670 CG1 VAL A 41 5.065 4.726 4.834 1.00 0.00 C ATOM 671 CG2 VAL A 41 2.848 5.811 4.933 1.00 0.00 C ATOM 0 H VAL A 41 1.238 2.961 4.347 1.00 0.00 H new ATOM 0 HA VAL A 41 3.504 4.166 2.813 1.00 0.00 H new ATOM 0 HB VAL A 41 3.300 3.859 5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.356 5.312 5.706 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.608 3.781 4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.304 5.282 3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.194 6.368 5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.078 6.373 4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.771 5.660 5.003 1.00 0.00 H new ATOM 681 N VAL A 42 4.801 1.975 3.145 1.00 0.00 N ATOM 682 CA VAL A 42 5.576 0.756 3.227 1.00 0.00 C ATOM 683 C VAL A 42 7.008 1.210 3.482 1.00 0.00 C ATOM 684 O VAL A 42 7.487 2.120 2.804 1.00 0.00 O ATOM 685 CB VAL A 42 5.443 -0.067 1.926 1.00 0.00 C ATOM 686 CG1 VAL A 42 4.096 -0.802 1.886 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.594 0.778 0.643 1.00 0.00 C ATOM 0 H VAL A 42 5.280 2.696 2.606 1.00 0.00 H new ATOM 0 HA VAL A 42 5.230 0.095 4.022 1.00 0.00 H new ATOM 0 HB VAL A 42 6.267 -0.781 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.022 -1.376 0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.024 -1.477 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.284 -0.076 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.489 0.135 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.823 1.548 0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.577 1.249 0.631 1.00 0.00 H new ATOM 697 N GLU A 43 7.664 0.621 4.474 1.00 0.00 N ATOM 698 CA GLU A 43 9.100 0.724 4.680 1.00 0.00 C ATOM 699 C GLU A 43 9.671 -0.594 4.148 1.00 0.00 C ATOM 700 O GLU A 43 9.515 -1.642 4.788 1.00 0.00 O ATOM 701 CB GLU A 43 9.410 0.965 6.164 1.00 0.00 C ATOM 702 CG GLU A 43 10.795 1.565 6.488 1.00 0.00 C ATOM 703 CD GLU A 43 12.041 0.738 6.139 1.00 0.00 C ATOM 704 OE1 GLU A 43 12.046 -0.497 6.363 1.00 0.00 O ATOM 705 OE2 GLU A 43 13.038 1.359 5.691 1.00 0.00 O ATOM 0 H GLU A 43 7.198 0.044 5.175 1.00 0.00 H new ATOM 0 HA GLU A 43 9.550 1.569 4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.647 1.630 6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.318 0.015 6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.874 2.521 5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.825 1.778 7.557 1.00 0.00 H new ATOM 712 N THR A 44 10.216 -0.585 2.934 1.00 0.00 N ATOM 713 CA THR A 44 10.868 -1.738 2.338 1.00 0.00 C ATOM 714 C THR A 44 12.012 -1.230 1.442 1.00 0.00 C ATOM 715 O THR A 44 12.245 -0.022 1.349 1.00 0.00 O ATOM 716 CB THR A 44 9.766 -2.575 1.665 1.00 0.00 C ATOM 717 OG1 THR A 44 10.125 -3.937 1.574 1.00 0.00 O ATOM 718 CG2 THR A 44 9.355 -2.046 0.287 1.00 0.00 C ATOM 0 H THR A 44 10.215 0.238 2.331 1.00 0.00 H new ATOM 0 HA THR A 44 11.357 -2.410 3.044 1.00 0.00 H new ATOM 0 HB THR A 44 8.897 -2.481 2.316 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.401 -4.438 1.143 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.575 -2.683 -0.130 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.978 -1.028 0.386 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.220 -2.050 -0.377 1.00 0.00 H new ATOM 726 N GLU A 45 12.763 -2.121 0.794 1.00 0.00 N ATOM 727 CA GLU A 45 13.885 -1.737 -0.066 1.00 0.00 C ATOM 728 C GLU A 45 13.512 -1.892 -1.545 1.00 0.00 C ATOM 729 O GLU A 45 14.052 -1.194 -2.406 1.00 0.00 O ATOM 730 CB GLU A 45 15.107 -2.586 0.313 1.00 0.00 C ATOM 731 CG GLU A 45 16.423 -1.845 0.057 1.00 0.00 C ATOM 732 CD GLU A 45 17.588 -2.658 0.596 1.00 0.00 C ATOM 733 OE1 GLU A 45 17.830 -2.610 1.821 1.00 0.00 O ATOM 734 OE2 GLU A 45 18.210 -3.424 -0.193 1.00 0.00 O ATOM 0 H GLU A 45 12.612 -3.128 0.850 1.00 0.00 H new ATOM 0 HA GLU A 45 14.130 -0.686 0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.045 -2.861 1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.096 -3.513 -0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.552 -1.673 -1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.399 -0.866 0.536 1.00 0.00 H new ATOM 741 N ASN A 46 12.569 -2.790 -1.845 1.00 0.00 N ATOM 742 CA ASN A 46 12.074 -3.072 -3.186 1.00 0.00 C ATOM 743 C ASN A 46 10.664 -2.522 -3.312 1.00 0.00 C ATOM 744 O ASN A 46 9.699 -3.179 -2.908 1.00 0.00 O ATOM 745 CB ASN A 46 12.105 -4.572 -3.521 1.00 0.00 C ATOM 746 CG ASN A 46 11.901 -4.794 -5.016 1.00 0.00 C ATOM 747 OD1 ASN A 46 11.492 -3.906 -5.754 1.00 0.00 O ATOM 748 ND2 ASN A 46 12.130 -6.001 -5.480 1.00 0.00 N ATOM 0 H ASN A 46 12.116 -3.359 -1.130 1.00 0.00 H new ATOM 0 HA ASN A 46 12.733 -2.585 -3.904 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.059 -4.999 -3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.327 -5.091 -2.962 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.967 -6.208 -6.465 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.471 -6.732 -4.855 1.00 0.00 H new ATOM 755 N LEU A 47 10.532 -1.314 -3.855 1.00 0.00 N ATOM 756 CA LEU A 47 9.230 -0.700 -4.061 1.00 0.00 C ATOM 757 C LEU A 47 8.435 -1.458 -5.129 1.00 0.00 C ATOM 758 O LEU A 47 7.241 -1.663 -4.944 1.00 0.00 O ATOM 759 CB LEU A 47 9.416 0.786 -4.398 1.00 0.00 C ATOM 760 CG LEU A 47 8.091 1.518 -4.684 1.00 0.00 C ATOM 761 CD1 LEU A 47 7.146 1.513 -3.473 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.370 2.963 -5.085 1.00 0.00 C ATOM 0 H LEU A 47 11.318 -0.741 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 47 8.642 -0.760 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.923 1.279 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.067 0.875 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 47 7.602 0.982 -5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.227 2.041 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.910 0.485 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.630 2.010 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.428 3.473 -5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.893 3.471 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.989 2.979 -5.982 1.00 0.00 H new ATOM 774 N ASP A 48 9.069 -1.929 -6.206 1.00 0.00 N ATOM 775 CA ASP A 48 8.395 -2.697 -7.265 1.00 0.00 C ATOM 776 C ASP A 48 7.677 -3.906 -6.660 1.00 0.00 C ATOM 777 O ASP A 48 6.506 -4.146 -6.950 1.00 0.00 O ATOM 778 CB ASP A 48 9.414 -3.090 -8.361 1.00 0.00 C ATOM 779 CG ASP A 48 8.947 -4.069 -9.455 1.00 0.00 C ATOM 780 OD1 ASP A 48 7.858 -4.675 -9.376 1.00 0.00 O ATOM 781 OD2 ASP A 48 9.725 -4.317 -10.403 1.00 0.00 O ATOM 0 H ASP A 48 10.066 -1.790 -6.372 1.00 0.00 H new ATOM 0 HA ASP A 48 7.633 -2.082 -7.744 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.750 -2.176 -8.850 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.284 -3.526 -7.870 1.00 0.00 H new ATOM 786 N SER A 49 8.324 -4.612 -5.728 1.00 0.00 N ATOM 787 CA SER A 49 7.762 -5.729 -4.992 1.00 0.00 C ATOM 788 C SER A 49 6.385 -5.374 -4.390 1.00 0.00 C ATOM 789 O SER A 49 5.470 -6.199 -4.416 1.00 0.00 O ATOM 790 CB SER A 49 8.852 -6.131 -3.982 1.00 0.00 C ATOM 791 OG SER A 49 8.706 -5.610 -2.673 1.00 0.00 O ATOM 0 H SER A 49 9.287 -4.408 -5.462 1.00 0.00 H new ATOM 0 HA SER A 49 7.525 -6.589 -5.619 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.877 -7.219 -3.918 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.818 -5.812 -4.373 1.00 0.00 H new ATOM 0 HG SER A 49 8.678 -4.631 -2.712 1.00 0.00 H new ATOM 797 N VAL A 50 6.207 -4.135 -3.917 1.00 0.00 N ATOM 798 CA VAL A 50 4.956 -3.615 -3.395 1.00 0.00 C ATOM 799 C VAL A 50 4.021 -3.279 -4.563 1.00 0.00 C ATOM 800 O VAL A 50 2.900 -3.785 -4.569 1.00 0.00 O ATOM 801 CB VAL A 50 5.211 -2.393 -2.485 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.886 -1.947 -1.856 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.249 -2.615 -1.362 1.00 0.00 C ATOM 0 H VAL A 50 6.962 -3.450 -3.890 1.00 0.00 H new ATOM 0 HA VAL A 50 4.472 -4.372 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 50 5.636 -1.629 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.061 -1.085 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.183 -1.676 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.471 -2.763 -1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.356 -1.700 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.913 -3.422 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.210 -2.880 -1.802 1.00 0.00 H new ATOM 813 N LEU A 51 4.430 -2.442 -5.533 1.00 0.00 N ATOM 814 CA LEU A 51 3.592 -1.996 -6.654 1.00 0.00 C ATOM 815 C LEU A 51 2.928 -3.174 -7.351 1.00 0.00 C ATOM 816 O LEU A 51 1.719 -3.164 -7.571 1.00 0.00 O ATOM 817 CB LEU A 51 4.484 -1.285 -7.676 1.00 0.00 C ATOM 818 CG LEU A 51 4.927 0.148 -7.346 1.00 0.00 C ATOM 819 CD1 LEU A 51 4.119 1.153 -8.170 1.00 0.00 C ATOM 820 CD2 LEU A 51 4.849 0.582 -5.880 1.00 0.00 C ATOM 0 H LEU A 51 5.372 -2.050 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 51 2.819 -1.334 -6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.379 -1.890 -7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.955 -1.264 -8.629 1.00 0.00 H new ATOM 0 HG LEU A 51 5.988 0.139 -7.596 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.442 2.165 -7.927 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.279 0.965 -9.232 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.059 1.045 -7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.190 1.613 -5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.818 0.508 -5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.483 -0.066 -5.275 1.00 0.00 H new ATOM 832 N LYS A 52 3.719 -4.204 -7.650 1.00 0.00 N ATOM 833 CA LYS A 52 3.261 -5.402 -8.331 1.00 0.00 C ATOM 834 C LYS A 52 2.169 -6.039 -7.501 1.00 0.00 C ATOM 835 O LYS A 52 1.118 -6.383 -8.022 1.00 0.00 O ATOM 836 CB LYS A 52 4.441 -6.373 -8.534 1.00 0.00 C ATOM 837 CG LYS A 52 4.369 -7.138 -9.863 1.00 0.00 C ATOM 838 CD LYS A 52 4.993 -6.291 -10.987 1.00 0.00 C ATOM 839 CE LYS A 52 4.974 -6.935 -12.375 1.00 0.00 C ATOM 840 NZ LYS A 52 3.599 -7.152 -12.850 1.00 0.00 N ATOM 0 H LYS A 52 4.712 -4.224 -7.419 1.00 0.00 H new ATOM 0 HA LYS A 52 2.863 -5.151 -9.314 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.375 -5.813 -8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.462 -7.087 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.896 -8.088 -9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.332 -7.370 -10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.465 -5.339 -11.039 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.026 -6.068 -10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.507 -6.298 -13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.503 -7.887 -12.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.622 -7.543 -13.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.114 -7.820 -12.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.087 -6.247 -12.856 1.00 0.00 H new ATOM 854 N LYS A 53 2.409 -6.177 -6.196 1.00 0.00 N ATOM 855 CA LYS A 53 1.482 -6.827 -5.293 1.00 0.00 C ATOM 856 C LYS A 53 0.174 -6.050 -5.170 1.00 0.00 C ATOM 857 O LYS A 53 -0.872 -6.671 -5.011 1.00 0.00 O ATOM 858 CB LYS A 53 2.165 -7.038 -3.932 1.00 0.00 C ATOM 859 CG LYS A 53 1.461 -8.092 -3.069 1.00 0.00 C ATOM 860 CD LYS A 53 1.348 -9.420 -3.827 1.00 0.00 C ATOM 861 CE LYS A 53 1.144 -10.611 -2.888 1.00 0.00 C ATOM 862 NZ LYS A 53 1.000 -11.871 -3.646 1.00 0.00 N ATOM 0 H LYS A 53 3.257 -5.837 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 53 1.212 -7.802 -5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.200 -7.340 -4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.189 -6.091 -3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.016 -8.241 -2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.468 -7.739 -2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.515 -9.366 -4.527 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.251 -9.576 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.991 -10.689 -2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.256 -10.448 -2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.863 -12.661 -2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.178 -11.803 -4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.858 -12.037 -4.210 1.00 0.00 H new ATOM 876 N LEU A 54 0.231 -4.721 -5.215 1.00 0.00 N ATOM 877 CA LEU A 54 -0.943 -3.848 -5.197 1.00 0.00 C ATOM 878 C LEU A 54 -1.744 -4.000 -6.489 1.00 0.00 C ATOM 879 O LEU A 54 -2.953 -4.233 -6.443 1.00 0.00 O ATOM 880 CB LEU A 54 -0.477 -2.402 -5.001 1.00 0.00 C ATOM 881 CG LEU A 54 -0.329 -1.961 -3.535 1.00 0.00 C ATOM 882 CD1 LEU A 54 -1.660 -1.408 -3.007 1.00 0.00 C ATOM 883 CD2 LEU A 54 0.180 -3.011 -2.533 1.00 0.00 C ATOM 0 H LEU A 54 1.112 -4.209 -5.266 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.600 -4.128 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.483 -2.274 -5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.186 -1.737 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 54 0.455 -1.206 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.540 -1.100 -1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.961 -0.550 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.426 -2.181 -3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.237 -2.568 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.506 -3.858 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.170 -3.352 -2.835 1.00 0.00 H new ATOM 895 N GLU A 55 -1.076 -3.895 -7.636 1.00 0.00 N ATOM 896 CA GLU A 55 -1.702 -4.034 -8.945 1.00 0.00 C ATOM 897 C GLU A 55 -2.349 -5.424 -9.055 1.00 0.00 C ATOM 898 O GLU A 55 -3.489 -5.546 -9.510 1.00 0.00 O ATOM 899 CB GLU A 55 -0.633 -3.797 -10.028 1.00 0.00 C ATOM 900 CG GLU A 55 -0.198 -2.319 -10.129 1.00 0.00 C ATOM 901 CD GLU A 55 1.086 -2.088 -10.946 1.00 0.00 C ATOM 902 OE1 GLU A 55 1.647 -3.041 -11.545 1.00 0.00 O ATOM 903 OE2 GLU A 55 1.542 -0.921 -10.992 1.00 0.00 O ATOM 0 H GLU A 55 -0.074 -3.709 -7.681 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.493 -3.297 -9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.239 -4.413 -9.811 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.022 -4.123 -10.993 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.008 -1.744 -10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.049 -1.927 -9.123 1.00 0.00 H new ATOM 910 N GLU A 56 -1.660 -6.461 -8.570 1.00 0.00 N ATOM 911 CA GLU A 56 -2.105 -7.850 -8.535 1.00 0.00 C ATOM 912 C GLU A 56 -3.411 -8.026 -7.756 1.00 0.00 C ATOM 913 O GLU A 56 -4.229 -8.866 -8.128 1.00 0.00 O ATOM 914 CB GLU A 56 -1.010 -8.729 -7.901 1.00 0.00 C ATOM 915 CG GLU A 56 0.038 -9.235 -8.907 1.00 0.00 C ATOM 916 CD GLU A 56 -0.236 -10.693 -9.276 1.00 0.00 C ATOM 917 OE1 GLU A 56 -1.355 -11.007 -9.747 1.00 0.00 O ATOM 918 OE2 GLU A 56 0.581 -11.577 -8.931 1.00 0.00 O ATOM 0 H GLU A 56 -0.728 -6.344 -8.171 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.292 -8.156 -9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.506 -8.159 -7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.479 -9.586 -7.417 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.018 -8.616 -9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.036 -9.143 -8.479 1.00 0.00 H new ATOM 925 N ILE A 57 -3.632 -7.273 -6.676 1.00 0.00 N ATOM 926 CA ILE A 57 -4.877 -7.361 -5.904 1.00 0.00 C ATOM 927 C ILE A 57 -5.969 -6.451 -6.478 1.00 0.00 C ATOM 928 O ILE A 57 -6.939 -6.144 -5.778 1.00 0.00 O ATOM 929 CB ILE A 57 -4.644 -7.165 -4.393 1.00 0.00 C ATOM 930 CG1 ILE A 57 -4.147 -5.757 -4.032 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.735 -8.276 -3.845 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.381 -5.390 -2.567 1.00 0.00 C ATOM 0 H ILE A 57 -2.963 -6.593 -6.314 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.252 -8.379 -6.008 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.613 -7.249 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.081 -5.688 -4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.650 -5.028 -4.667 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.579 -8.125 -2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.206 -9.245 -4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.775 -8.247 -4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.007 -4.383 -2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.448 -5.427 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.855 -6.098 -1.926 1.00 0.00 H new ATOM 944 N ASP A 58 -5.849 -6.035 -7.744 1.00 0.00 N ATOM 945 CA ASP A 58 -6.846 -5.279 -8.498 1.00 0.00 C ATOM 946 C ASP A 58 -6.890 -3.810 -8.075 1.00 0.00 C ATOM 947 O ASP A 58 -7.820 -3.112 -8.468 1.00 0.00 O ATOM 948 CB ASP A 58 -8.236 -5.939 -8.368 1.00 0.00 C ATOM 949 CG ASP A 58 -9.248 -5.578 -9.445 1.00 0.00 C ATOM 950 OD1 ASP A 58 -9.057 -5.961 -10.627 1.00 0.00 O ATOM 951 OD2 ASP A 58 -10.302 -5.001 -9.086 1.00 0.00 O ATOM 0 H ASP A 58 -5.012 -6.228 -8.294 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.551 -5.298 -9.547 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.104 -7.021 -8.369 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.655 -5.670 -7.398 1.00 0.00 H new ATOM 956 N TYR A 59 -5.902 -3.341 -7.291 1.00 0.00 N ATOM 957 CA TYR A 59 -5.881 -2.010 -6.686 1.00 0.00 C ATOM 958 C TYR A 59 -4.709 -1.223 -7.302 1.00 0.00 C ATOM 959 O TYR A 59 -3.634 -1.140 -6.707 1.00 0.00 O ATOM 960 CB TYR A 59 -5.717 -2.095 -5.154 1.00 0.00 C ATOM 961 CG TYR A 59 -6.918 -2.451 -4.289 1.00 0.00 C ATOM 962 CD1 TYR A 59 -8.003 -3.207 -4.769 1.00 0.00 C ATOM 963 CD2 TYR A 59 -6.948 -1.975 -2.962 1.00 0.00 C ATOM 964 CE1 TYR A 59 -9.099 -3.498 -3.942 1.00 0.00 C ATOM 965 CE2 TYR A 59 -8.042 -2.246 -2.124 1.00 0.00 C ATOM 966 CZ TYR A 59 -9.121 -3.021 -2.616 1.00 0.00 C ATOM 967 OH TYR A 59 -10.161 -3.353 -1.809 1.00 0.00 O ATOM 0 H TYR A 59 -5.079 -3.896 -7.059 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.827 -1.506 -6.885 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.938 -2.830 -4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.343 -1.130 -4.812 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.992 -3.568 -5.787 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.119 -1.394 -2.585 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.923 -4.085 -4.320 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.061 -1.867 -1.113 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.729 -2.567 -1.668 1.00 0.00 H new ATOM 977 N PRO A 60 -4.884 -0.655 -8.514 1.00 0.00 N ATOM 978 CA PRO A 60 -3.859 0.128 -9.181 1.00 0.00 C ATOM 979 C PRO A 60 -3.597 1.406 -8.385 1.00 0.00 C ATOM 980 O PRO A 60 -4.506 2.205 -8.143 1.00 0.00 O ATOM 981 CB PRO A 60 -4.399 0.403 -10.587 1.00 0.00 C ATOM 982 CG PRO A 60 -5.912 0.322 -10.415 1.00 0.00 C ATOM 983 CD PRO A 60 -6.068 -0.750 -9.344 1.00 0.00 C ATOM 0 HA PRO A 60 -2.901 -0.387 -9.248 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.089 1.383 -10.950 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.038 -0.332 -11.306 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.336 1.275 -10.099 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.411 0.043 -11.343 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.971 -0.587 -8.756 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.153 -1.740 -9.792 1.00 0.00 H new ATOM 991 N VAL A 61 -2.358 1.575 -7.925 1.00 0.00 N ATOM 992 CA VAL A 61 -1.940 2.773 -7.211 1.00 0.00 C ATOM 993 C VAL A 61 -1.943 3.953 -8.193 1.00 0.00 C ATOM 994 O VAL A 61 -1.447 3.816 -9.310 1.00 0.00 O ATOM 995 CB VAL A 61 -0.547 2.562 -6.573 1.00 0.00 C ATOM 996 CG1 VAL A 61 -0.283 3.711 -5.589 1.00 0.00 C ATOM 997 CG2 VAL A 61 -0.411 1.219 -5.836 1.00 0.00 C ATOM 0 H VAL A 61 -1.618 0.883 -8.039 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.633 2.989 -6.398 1.00 0.00 H new ATOM 0 HB VAL A 61 0.184 2.549 -7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.696 3.578 -5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.307 4.661 -6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.050 3.711 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.590 1.136 -5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.149 1.167 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.577 0.401 -6.537 1.00 0.00 H new ATOM 1007 N GLU A 62 -2.430 5.121 -7.769 1.00 0.00 N ATOM 1008 CA GLU A 62 -2.272 6.391 -8.466 1.00 0.00 C ATOM 1009 C GLU A 62 -0.779 6.752 -8.540 1.00 0.00 C ATOM 1010 O GLU A 62 -0.159 6.703 -9.604 1.00 0.00 O ATOM 1011 CB GLU A 62 -3.117 7.434 -7.757 1.00 0.00 C ATOM 1012 CG GLU A 62 -3.065 8.745 -8.536 1.00 0.00 C ATOM 1013 CD GLU A 62 -4.052 8.860 -9.691 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -5.206 9.268 -9.440 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -3.616 8.712 -10.854 1.00 0.00 O ATOM 0 H GLU A 62 -2.962 5.207 -6.903 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.623 6.333 -9.496 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.147 7.088 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.750 7.587 -6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.246 9.567 -7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.056 8.875 -8.928 1.00 0.00 H new ATOM 1022 N SER A 63 -0.182 7.121 -7.405 1.00 0.00 N ATOM 1023 CA SER A 63 1.197 7.587 -7.341 1.00 0.00 C ATOM 1024 C SER A 63 1.828 7.204 -6.009 1.00 0.00 C ATOM 1025 O SER A 63 1.139 6.856 -5.043 1.00 0.00 O ATOM 1026 CB SER A 63 1.271 9.108 -7.579 1.00 0.00 C ATOM 1027 OG SER A 63 0.068 9.802 -7.263 1.00 0.00 O ATOM 0 H SER A 63 -0.650 7.103 -6.499 1.00 0.00 H new ATOM 0 HA SER A 63 1.765 7.100 -8.134 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.084 9.520 -6.981 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.520 9.290 -8.624 1.00 0.00 H new ATOM 0 HG SER A 63 0.187 10.759 -7.436 1.00 0.00 H new ATOM 1033 N TYR A 64 3.150 7.299 -5.949 1.00 0.00 N ATOM 1034 CA TYR A 64 3.941 7.120 -4.747 1.00 0.00 C ATOM 1035 C TYR A 64 4.887 8.311 -4.601 1.00 0.00 C ATOM 1036 O TYR A 64 5.065 9.074 -5.550 1.00 0.00 O ATOM 1037 CB TYR A 64 4.679 5.776 -4.782 1.00 0.00 C ATOM 1038 CG TYR A 64 5.626 5.612 -5.954 1.00 0.00 C ATOM 1039 CD1 TYR A 64 6.929 6.135 -5.883 1.00 0.00 C ATOM 1040 CD2 TYR A 64 5.205 4.948 -7.121 1.00 0.00 C ATOM 1041 CE1 TYR A 64 7.805 5.986 -6.968 1.00 0.00 C ATOM 1042 CE2 TYR A 64 6.079 4.793 -8.211 1.00 0.00 C ATOM 1043 CZ TYR A 64 7.391 5.313 -8.136 1.00 0.00 C ATOM 1044 OH TYR A 64 8.260 5.180 -9.170 1.00 0.00 O ATOM 0 H TYR A 64 3.718 7.511 -6.769 1.00 0.00 H new ATOM 0 HA TYR A 64 3.296 7.089 -3.868 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.243 5.661 -3.856 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.943 4.972 -4.810 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.256 6.652 -4.993 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.201 4.554 -7.180 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.805 6.390 -6.909 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.749 4.279 -9.102 1.00 0.00 H new ATOM 0 HH TYR A 64 7.826 4.692 -9.901 1.00 0.00 H new ATOM 1054 N GLN A 65 5.523 8.456 -3.440 1.00 0.00 N ATOM 1055 CA GLN A 65 6.695 9.288 -3.276 1.00 0.00 C ATOM 1056 C GLN A 65 7.506 8.733 -2.117 1.00 0.00 C ATOM 1057 O GLN A 65 6.970 8.163 -1.166 1.00 0.00 O ATOM 1058 CB GLN A 65 6.323 10.764 -3.067 1.00 0.00 C ATOM 1059 CG GLN A 65 5.418 11.066 -1.869 1.00 0.00 C ATOM 1060 CD GLN A 65 6.120 11.547 -0.604 1.00 0.00 C ATOM 1061 OE1 GLN A 65 5.842 11.057 0.486 1.00 0.00 O ATOM 1062 NE2 GLN A 65 6.914 12.594 -0.699 1.00 0.00 N ATOM 0 H GLN A 65 5.229 7.990 -2.582 1.00 0.00 H new ATOM 0 HA GLN A 65 7.295 9.265 -4.185 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.243 11.338 -2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.830 11.125 -3.970 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.693 11.823 -2.168 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.855 10.164 -1.628 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.133 12.987 -1.615 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.310 13.012 0.143 1.00 0.00 H new ATOM 1071 N GLU A 66 8.812 8.898 -2.225 1.00 0.00 N ATOM 1072 CA GLU A 66 9.831 8.614 -1.242 1.00 0.00 C ATOM 1073 C GLU A 66 9.769 9.662 -0.129 1.00 0.00 C ATOM 1074 O GLU A 66 9.581 10.852 -0.417 1.00 0.00 O ATOM 1075 CB GLU A 66 11.151 8.744 -2.006 1.00 0.00 C ATOM 1076 CG GLU A 66 12.243 7.916 -1.365 1.00 0.00 C ATOM 1077 CD GLU A 66 13.601 8.241 -1.986 1.00 0.00 C ATOM 1078 OE1 GLU A 66 13.863 7.819 -3.138 1.00 0.00 O ATOM 1079 OE2 GLU A 66 14.343 9.054 -1.386 1.00 0.00 O ATOM 0 H GLU A 66 9.219 9.269 -3.084 1.00 0.00 H new ATOM 0 HA GLU A 66 9.713 7.633 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.009 8.425 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.455 9.790 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.272 8.110 -0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.024 6.856 -1.491 1.00 0.00 H new ATOM 1086 N VAL A 67 9.948 9.235 1.120 1.00 0.00 N ATOM 1087 CA VAL A 67 9.635 10.059 2.280 1.00 0.00 C ATOM 1088 C VAL A 67 10.918 10.281 3.055 1.00 0.00 C ATOM 1089 O VAL A 67 11.247 11.470 3.265 1.00 0.00 O ATOM 1090 CB VAL A 67 8.532 9.422 3.145 1.00 0.00 C ATOM 1091 CG1 VAL A 67 7.788 10.509 3.927 1.00 0.00 C ATOM 1092 CG2 VAL A 67 7.497 8.583 2.379 1.00 0.00 C ATOM 0 H VAL A 67 10.313 8.311 1.353 1.00 0.00 H new ATOM 0 HA VAL A 67 9.236 11.022 1.960 1.00 0.00 H new ATOM 0 HB VAL A 67 9.061 8.732 3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.009 10.050 4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.490 11.038 4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.335 11.213 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.765 8.180 3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.990 9.211 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.000 7.762 1.868 1.00 0.00 H new