USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 742 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 THR OG1 : rot 119:sc=0.000822 USER MOD Set 1.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00636 USER MOD Single : A 25 THR OG1 : rot 80:sc= 0.00133 USER MOD Single : A 26 MET CE :methyl -106:sc= -3.2! (180deg=-7.02!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0318 X(o=-0.032,f=-0.032) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc=-0.00156 USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -5:sc= 0.759 USER MOD Single : A 58 ASN : amide:sc= -0.546 K(o=-0.55,f=-5.5!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.832) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 66 LYS NZ :NH3+ -162:sc= -0.0238 (180deg=-0.226) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -41:sc= 0.0802 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 153:sc= -2.04 (180deg=-2.74) USER MOD Single : A 86 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.4!) USER MOD Single : A 91 SER OG : rot -60:sc= -0.593 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 165:sc= 0.0195 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -37:sc= 1.67 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 103 LYS NZ :NH3+ 169:sc= -0.0115 (180deg=-0.137) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -19.975 -2.946 -0.461 1.00 0.00 N ATOM 60 CA GLY A 7 -20.494 -2.302 0.732 1.00 0.00 C ATOM 61 C GLY A 7 -19.858 -0.949 0.984 1.00 0.00 C ATOM 62 O GLY A 7 -20.478 0.090 0.754 1.00 0.00 O ATOM 0 HA2 GLY A 7 -21.573 -2.181 0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.322 -2.947 1.594 1.00 0.00 H new ATOM 66 N THR A 8 -18.616 -0.960 1.459 1.00 0.00 N ATOM 67 CA THR A 8 -17.897 0.275 1.745 1.00 0.00 C ATOM 68 C THR A 8 -17.036 0.697 0.560 1.00 0.00 C ATOM 69 O THR A 8 -16.787 -0.093 -0.351 1.00 0.00 O ATOM 70 CB THR A 8 -17.001 0.128 2.989 1.00 0.00 C ATOM 71 OG1 THR A 8 -17.785 -0.299 4.109 1.00 0.00 O ATOM 72 CG2 THR A 8 -16.312 1.444 3.318 1.00 0.00 C ATOM 0 H THR A 8 -18.088 -1.811 1.654 1.00 0.00 H new ATOM 0 HA THR A 8 -18.648 1.041 1.936 1.00 0.00 H new ATOM 0 HB THR A 8 -16.238 -0.620 2.774 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.208 -0.392 4.896 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.685 1.316 4.200 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.694 1.752 2.475 1.00 0.00 H new ATOM 0 HG23 THR A 8 -17.063 2.209 3.515 1.00 0.00 H new ATOM 80 N SER A 9 -16.583 1.946 0.578 1.00 0.00 N ATOM 81 CA SER A 9 -15.752 2.474 -0.497 1.00 0.00 C ATOM 82 C SER A 9 -14.275 2.200 -0.227 1.00 0.00 C ATOM 83 O SER A 9 -13.831 2.127 0.919 1.00 0.00 O ATOM 84 CB SER A 9 -15.982 3.978 -0.658 1.00 0.00 C ATOM 85 OG SER A 9 -17.032 4.238 -1.573 1.00 0.00 O ATOM 0 H SER A 9 -16.778 2.612 1.326 1.00 0.00 H new ATOM 0 HA SER A 9 -16.035 1.970 -1.421 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.222 4.418 0.310 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.065 4.454 -1.007 1.00 0.00 H new ATOM 0 HG SER A 9 -17.160 5.206 -1.657 1.00 0.00 H new ATOM 91 N PRO A 10 -13.496 2.045 -1.307 1.00 0.00 N ATOM 92 CA PRO A 10 -12.057 1.777 -1.213 1.00 0.00 C ATOM 93 C PRO A 10 -11.276 2.982 -0.701 1.00 0.00 C ATOM 94 O PRO A 10 -11.798 4.091 -0.595 1.00 0.00 O ATOM 95 CB PRO A 10 -11.661 1.457 -2.657 1.00 0.00 C ATOM 96 CG PRO A 10 -12.679 2.155 -3.492 1.00 0.00 C ATOM 97 CD PRO A 10 -13.958 2.119 -2.703 1.00 0.00 C ATOM 0 HA PRO A 10 -11.836 0.975 -0.508 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.655 1.812 -2.880 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.667 0.383 -2.841 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.377 3.182 -3.698 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.801 1.659 -4.455 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.564 3.008 -2.879 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.571 1.258 -2.970 1.00 0.00 H new ATOM 105 N PRO A 11 -9.993 2.761 -0.377 1.00 0.00 N ATOM 106 CA PRO A 11 -9.111 3.818 0.128 1.00 0.00 C ATOM 107 C PRO A 11 -8.766 4.847 -0.943 1.00 0.00 C ATOM 108 O PRO A 11 -8.680 4.520 -2.128 1.00 0.00 O ATOM 109 CB PRO A 11 -7.857 3.056 0.563 1.00 0.00 C ATOM 110 CG PRO A 11 -7.858 1.820 -0.268 1.00 0.00 C ATOM 111 CD PRO A 11 -9.304 1.464 -0.479 1.00 0.00 C ATOM 0 HA PRO A 11 -9.578 4.390 0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.956 3.646 0.394 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.887 2.818 1.626 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.355 1.989 -1.220 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.326 1.012 0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.465 0.999 -1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.659 0.760 0.274 1.00 0.00 H new ATOM 119 N THR A 12 -8.568 6.091 -0.520 1.00 0.00 N ATOM 120 CA THR A 12 -8.232 7.168 -1.444 1.00 0.00 C ATOM 121 C THR A 12 -7.083 8.014 -0.907 1.00 0.00 C ATOM 122 O THR A 12 -6.593 7.784 0.199 1.00 0.00 O ATOM 123 CB THR A 12 -9.445 8.079 -1.709 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.953 8.592 -0.473 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.543 7.319 -2.438 1.00 0.00 C ATOM 0 H THR A 12 -8.634 6.378 0.456 1.00 0.00 H new ATOM 0 HA THR A 12 -7.928 6.699 -2.380 1.00 0.00 H new ATOM 0 HB THR A 12 -9.118 8.907 -2.338 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.723 9.172 -0.651 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.389 7.983 -2.614 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.162 6.956 -3.392 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.865 6.473 -1.830 1.00 0.00 H new ATOM 133 N LEU A 13 -6.658 8.994 -1.697 1.00 0.00 N ATOM 134 CA LEU A 13 -5.566 9.876 -1.300 1.00 0.00 C ATOM 135 C LEU A 13 -4.317 9.074 -0.948 1.00 0.00 C ATOM 136 O LEU A 13 -3.748 9.233 0.133 1.00 0.00 O ATOM 137 CB LEU A 13 -5.986 10.737 -0.107 1.00 0.00 C ATOM 138 CG LEU A 13 -7.213 11.624 -0.320 1.00 0.00 C ATOM 139 CD1 LEU A 13 -7.952 11.836 0.993 1.00 0.00 C ATOM 140 CD2 LEU A 13 -6.807 12.959 -0.926 1.00 0.00 C ATOM 0 H LEU A 13 -7.053 9.198 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.332 10.525 -2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.180 10.079 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.146 11.374 0.170 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.885 11.121 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.822 12.470 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.276 10.873 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.288 12.317 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.693 13.577 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.115 13.468 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.322 12.790 -1.887 1.00 0.00 H new ATOM 152 N LEU A 14 -3.895 8.212 -1.867 1.00 0.00 N ATOM 153 CA LEU A 14 -2.712 7.386 -1.655 1.00 0.00 C ATOM 154 C LEU A 14 -1.442 8.152 -2.008 1.00 0.00 C ATOM 155 O LEU A 14 -1.252 8.568 -3.151 1.00 0.00 O ATOM 156 CB LEU A 14 -2.801 6.109 -2.493 1.00 0.00 C ATOM 157 CG LEU A 14 -1.803 5.005 -2.142 1.00 0.00 C ATOM 158 CD1 LEU A 14 -0.514 5.181 -2.930 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.519 4.998 -0.647 1.00 0.00 C ATOM 0 H LEU A 14 -4.355 8.067 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.670 7.119 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.809 5.704 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.664 6.376 -3.541 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.243 4.045 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.184 4.386 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.731 5.135 -3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.070 6.148 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.807 4.206 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.100 5.960 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.446 4.823 -0.101 1.00 0.00 H new ATOM 171 N THR A 15 -0.572 8.334 -1.019 1.00 0.00 N ATOM 172 CA THR A 15 0.681 9.049 -1.225 1.00 0.00 C ATOM 173 C THR A 15 1.812 8.420 -0.420 1.00 0.00 C ATOM 174 O THR A 15 1.576 7.770 0.598 1.00 0.00 O ATOM 175 CB THR A 15 0.552 10.533 -0.833 1.00 0.00 C ATOM 176 OG1 THR A 15 -0.342 11.201 -1.730 1.00 0.00 O ATOM 177 CG2 THR A 15 1.909 11.220 -0.857 1.00 0.00 C ATOM 0 H THR A 15 -0.713 7.996 -0.067 1.00 0.00 H new ATOM 0 HA THR A 15 0.913 8.980 -2.288 1.00 0.00 H new ATOM 0 HB THR A 15 0.155 10.584 0.181 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.420 12.143 -1.473 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.792 12.267 -0.577 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.578 10.728 -0.151 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.330 11.158 -1.860 1.00 0.00 H new ATOM 185 N VAL A 16 3.042 8.617 -0.884 1.00 0.00 N ATOM 186 CA VAL A 16 4.211 8.069 -0.205 1.00 0.00 C ATOM 187 C VAL A 16 4.740 9.038 0.846 1.00 0.00 C ATOM 188 O VAL A 16 5.244 10.112 0.518 1.00 0.00 O ATOM 189 CB VAL A 16 5.339 7.746 -1.204 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.368 6.824 -0.567 1.00 0.00 C ATOM 191 CG2 VAL A 16 4.768 7.127 -2.470 1.00 0.00 C ATOM 0 H VAL A 16 3.255 9.151 -1.726 1.00 0.00 H new ATOM 0 HA VAL A 16 3.892 7.148 0.282 1.00 0.00 H new ATOM 0 HB VAL A 16 5.838 8.676 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.157 6.607 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.799 7.310 0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.886 5.894 -0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.579 6.905 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.243 6.205 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.073 7.826 -2.935 1.00 0.00 H new ATOM 201 N ASP A 17 4.624 8.650 2.111 1.00 0.00 N ATOM 202 CA ASP A 17 5.092 9.483 3.213 1.00 0.00 C ATOM 203 C ASP A 17 6.616 9.544 3.238 1.00 0.00 C ATOM 204 O ASP A 17 7.203 10.624 3.317 1.00 0.00 O ATOM 205 CB ASP A 17 4.569 8.946 4.545 1.00 0.00 C ATOM 206 CG ASP A 17 4.505 10.017 5.617 1.00 0.00 C ATOM 207 OD1 ASP A 17 5.575 10.525 6.013 1.00 0.00 O ATOM 208 OD2 ASP A 17 3.385 10.347 6.059 1.00 0.00 O ATOM 0 H ASP A 17 4.210 7.764 2.399 1.00 0.00 H new ATOM 0 HA ASP A 17 4.708 10.492 3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.575 8.524 4.398 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.213 8.135 4.884 1.00 0.00 H new ATOM 213 N SER A 18 7.251 8.379 3.171 1.00 0.00 N ATOM 214 CA SER A 18 8.707 8.299 3.192 1.00 0.00 C ATOM 215 C SER A 18 9.187 6.976 2.603 1.00 0.00 C ATOM 216 O SER A 18 8.472 5.974 2.634 1.00 0.00 O ATOM 217 CB SER A 18 9.228 8.452 4.622 1.00 0.00 C ATOM 218 OG SER A 18 10.522 9.028 4.635 1.00 0.00 O ATOM 0 H SER A 18 6.780 7.477 3.102 1.00 0.00 H new ATOM 0 HA SER A 18 9.099 9.113 2.582 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.543 9.076 5.197 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.256 7.477 5.108 1.00 0.00 H new ATOM 0 HG SER A 18 10.831 9.117 5.561 1.00 0.00 H new ATOM 224 N VAL A 19 10.404 6.980 2.067 1.00 0.00 N ATOM 225 CA VAL A 19 10.981 5.781 1.472 1.00 0.00 C ATOM 226 C VAL A 19 12.475 5.687 1.764 1.00 0.00 C ATOM 227 O VAL A 19 13.221 6.644 1.557 1.00 0.00 O ATOM 228 CB VAL A 19 10.765 5.751 -0.053 1.00 0.00 C ATOM 229 CG1 VAL A 19 11.712 4.757 -0.707 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.318 5.415 -0.378 1.00 0.00 C ATOM 0 H VAL A 19 11.009 7.801 2.033 1.00 0.00 H new ATOM 0 HA VAL A 19 10.471 4.928 1.921 1.00 0.00 H new ATOM 0 HB VAL A 19 10.983 6.741 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.545 4.750 -1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.742 5.047 -0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.529 3.761 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.182 5.398 -1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.070 4.437 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.663 6.169 0.058 1.00 0.00 H new ATOM 240 N THR A 20 12.906 4.526 2.248 1.00 0.00 N ATOM 241 CA THR A 20 14.310 4.307 2.570 1.00 0.00 C ATOM 242 C THR A 20 14.965 3.368 1.562 1.00 0.00 C ATOM 243 O THR A 20 14.327 2.924 0.607 1.00 0.00 O ATOM 244 CB THR A 20 14.477 3.720 3.984 1.00 0.00 C ATOM 245 OG1 THR A 20 13.417 4.177 4.832 1.00 0.00 O ATOM 246 CG2 THR A 20 15.818 4.120 4.581 1.00 0.00 C ATOM 0 H THR A 20 12.302 3.723 2.425 1.00 0.00 H new ATOM 0 HA THR A 20 14.799 5.280 2.528 1.00 0.00 H new ATOM 0 HB THR A 20 14.440 2.633 3.909 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.905 3.408 5.159 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.913 3.694 5.580 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.624 3.747 3.949 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.879 5.207 4.643 1.00 0.00 H new ATOM 254 N ASP A 21 16.240 3.069 1.782 1.00 0.00 N ATOM 255 CA ASP A 21 16.981 2.181 0.894 1.00 0.00 C ATOM 256 C ASP A 21 16.818 0.725 1.321 1.00 0.00 C ATOM 257 O ASP A 21 17.289 -0.189 0.643 1.00 0.00 O ATOM 258 CB ASP A 21 18.463 2.558 0.880 1.00 0.00 C ATOM 259 CG ASP A 21 18.780 3.622 -0.152 1.00 0.00 C ATOM 260 OD1 ASP A 21 18.618 3.345 -1.359 1.00 0.00 O ATOM 261 OD2 ASP A 21 19.192 4.732 0.247 1.00 0.00 O ATOM 0 H ASP A 21 16.782 3.428 2.568 1.00 0.00 H new ATOM 0 HA ASP A 21 16.576 2.294 -0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.753 2.916 1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.059 1.669 0.676 1.00 0.00 H new ATOM 266 N THR A 22 16.148 0.517 2.450 1.00 0.00 N ATOM 267 CA THR A 22 15.924 -0.827 2.969 1.00 0.00 C ATOM 268 C THR A 22 14.440 -1.087 3.200 1.00 0.00 C ATOM 269 O THR A 22 14.001 -2.237 3.255 1.00 0.00 O ATOM 270 CB THR A 22 16.685 -1.053 4.289 1.00 0.00 C ATOM 271 OG1 THR A 22 16.035 -2.069 5.061 1.00 0.00 O ATOM 272 CG2 THR A 22 16.760 0.234 5.097 1.00 0.00 C ATOM 0 H THR A 22 15.751 1.262 3.023 1.00 0.00 H new ATOM 0 HA THR A 22 16.299 -1.523 2.218 1.00 0.00 H new ATOM 0 HB THR A 22 17.699 -1.372 4.048 1.00 0.00 H new ATOM 0 HG1 THR A 22 16.526 -2.208 5.898 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.302 0.050 6.025 1.00 0.00 H new ATOM 0 HG22 THR A 22 17.280 0.997 4.518 1.00 0.00 H new ATOM 0 HG23 THR A 22 15.752 0.578 5.328 1.00 0.00 H new ATOM 280 N THR A 23 13.669 -0.012 3.333 1.00 0.00 N ATOM 281 CA THR A 23 12.233 -0.125 3.558 1.00 0.00 C ATOM 282 C THR A 23 11.479 1.008 2.871 1.00 0.00 C ATOM 283 O THR A 23 12.075 1.999 2.450 1.00 0.00 O ATOM 284 CB THR A 23 11.898 -0.113 5.061 1.00 0.00 C ATOM 285 OG1 THR A 23 12.170 1.180 5.614 1.00 0.00 O ATOM 286 CG2 THR A 23 12.705 -1.167 5.804 1.00 0.00 C ATOM 0 H THR A 23 14.015 0.947 3.289 1.00 0.00 H new ATOM 0 HA THR A 23 11.919 -1.078 3.131 1.00 0.00 H new ATOM 0 HB THR A 23 10.838 -0.341 5.176 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.953 1.179 6.570 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.451 -1.139 6.864 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.474 -2.153 5.401 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.769 -0.965 5.680 1.00 0.00 H new ATOM 294 N VAL A 24 10.163 0.856 2.763 1.00 0.00 N ATOM 295 CA VAL A 24 9.326 1.868 2.129 1.00 0.00 C ATOM 296 C VAL A 24 8.082 2.154 2.964 1.00 0.00 C ATOM 297 O VAL A 24 7.427 1.236 3.458 1.00 0.00 O ATOM 298 CB VAL A 24 8.894 1.434 0.716 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.108 1.076 -0.128 1.00 0.00 C ATOM 300 CG2 VAL A 24 7.924 0.264 0.792 1.00 0.00 C ATOM 0 H VAL A 24 9.653 0.042 3.106 1.00 0.00 H new ATOM 0 HA VAL A 24 9.927 2.775 2.055 1.00 0.00 H new ATOM 0 HB VAL A 24 8.383 2.270 0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.783 0.772 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.763 1.943 -0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.650 0.256 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.629 -0.030 -0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.407 -0.577 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.040 0.560 1.357 1.00 0.00 H new ATOM 310 N THR A 25 7.761 3.435 3.117 1.00 0.00 N ATOM 311 CA THR A 25 6.596 3.844 3.892 1.00 0.00 C ATOM 312 C THR A 25 5.456 4.283 2.981 1.00 0.00 C ATOM 313 O THR A 25 5.653 5.085 2.068 1.00 0.00 O ATOM 314 CB THR A 25 6.940 4.993 4.858 1.00 0.00 C ATOM 315 OG1 THR A 25 8.237 4.785 5.427 1.00 0.00 O ATOM 316 CG2 THR A 25 5.904 5.095 5.967 1.00 0.00 C ATOM 0 H THR A 25 8.292 4.207 2.714 1.00 0.00 H new ATOM 0 HA THR A 25 6.280 2.976 4.470 1.00 0.00 H new ATOM 0 HB THR A 25 6.938 5.925 4.293 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.924 5.071 4.789 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.168 5.913 6.637 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.923 5.284 5.532 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.878 4.161 6.528 1.00 0.00 H new ATOM 324 N MET A 26 4.264 3.755 3.235 1.00 0.00 N ATOM 325 CA MET A 26 3.091 4.095 2.438 1.00 0.00 C ATOM 326 C MET A 26 1.922 4.494 3.333 1.00 0.00 C ATOM 327 O MET A 26 1.528 3.743 4.226 1.00 0.00 O ATOM 328 CB MET A 26 2.691 2.915 1.551 1.00 0.00 C ATOM 329 CG MET A 26 3.694 2.614 0.450 1.00 0.00 C ATOM 330 SD MET A 26 3.989 4.029 -0.627 1.00 0.00 S ATOM 331 CE MET A 26 2.454 4.078 -1.550 1.00 0.00 C ATOM 0 H MET A 26 4.084 3.090 3.987 1.00 0.00 H new ATOM 0 HA MET A 26 3.347 4.945 1.805 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.570 2.028 2.173 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.721 3.123 1.100 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.637 2.301 0.899 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.332 1.777 -0.147 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.626 3.713 -2.563 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.713 3.447 -1.058 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.087 5.104 -1.591 1.00 0.00 H new ATOM 341 N ARG A 27 1.373 5.679 3.088 1.00 0.00 N ATOM 342 CA ARG A 27 0.250 6.177 3.874 1.00 0.00 C ATOM 343 C ARG A 27 -0.985 6.365 2.998 1.00 0.00 C ATOM 344 O ARG A 27 -0.877 6.704 1.819 1.00 0.00 O ATOM 345 CB ARG A 27 0.617 7.501 4.546 1.00 0.00 C ATOM 346 CG ARG A 27 0.532 8.700 3.617 1.00 0.00 C ATOM 347 CD ARG A 27 -0.849 9.336 3.654 1.00 0.00 C ATOM 348 NE ARG A 27 -1.225 9.750 5.003 1.00 0.00 N ATOM 349 CZ ARG A 27 -0.683 10.787 5.632 1.00 0.00 C ATOM 350 NH1 ARG A 27 0.254 11.511 5.036 1.00 0.00 N ATOM 351 NH2 ARG A 27 -1.078 11.101 6.859 1.00 0.00 N ATOM 0 H ARG A 27 1.687 6.312 2.352 1.00 0.00 H new ATOM 0 HA ARG A 27 0.021 5.439 4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.046 7.663 5.396 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.630 7.429 4.941 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.281 9.438 3.904 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.764 8.390 2.598 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.868 10.201 2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.585 8.627 3.274 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.943 9.213 5.489 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.560 11.272 4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.669 12.307 5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.799 10.546 7.320 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.661 11.897 7.341 1.00 0.00 H new ATOM 365 N TRP A 28 -2.157 6.142 3.581 1.00 0.00 N ATOM 366 CA TRP A 28 -3.413 6.286 2.853 1.00 0.00 C ATOM 367 C TRP A 28 -4.481 6.929 3.732 1.00 0.00 C ATOM 368 O TRP A 28 -4.242 7.215 4.905 1.00 0.00 O ATOM 369 CB TRP A 28 -3.897 4.923 2.356 1.00 0.00 C ATOM 370 CG TRP A 28 -4.037 3.907 3.448 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.117 3.725 4.265 1.00 0.00 C ATOM 372 CD2 TRP A 28 -3.063 2.935 3.845 1.00 0.00 C ATOM 373 NE1 TRP A 28 -4.872 2.698 5.145 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.620 2.197 4.907 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.776 2.616 3.404 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -2.932 1.161 5.534 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.095 1.588 4.028 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.674 0.870 5.083 1.00 0.00 C ATOM 0 H TRP A 28 -2.264 5.861 4.556 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.235 6.935 1.996 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.859 5.046 1.859 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.198 4.548 1.608 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.029 4.303 4.225 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.518 2.363 5.860 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.322 3.163 2.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.376 0.607 6.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.099 1.334 3.697 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.116 0.071 5.549 1.00 0.00 H new ATOM 389 N ARG A 29 -5.658 7.154 3.157 1.00 0.00 N ATOM 390 CA ARG A 29 -6.761 7.764 3.888 1.00 0.00 C ATOM 391 C ARG A 29 -7.970 6.834 3.924 1.00 0.00 C ATOM 392 O ARG A 29 -8.193 6.030 3.018 1.00 0.00 O ATOM 393 CB ARG A 29 -7.149 9.098 3.248 1.00 0.00 C ATOM 394 CG ARG A 29 -6.290 10.266 3.705 1.00 0.00 C ATOM 395 CD ARG A 29 -6.883 10.949 4.927 1.00 0.00 C ATOM 396 NE ARG A 29 -8.224 11.466 4.668 1.00 0.00 N ATOM 397 CZ ARG A 29 -8.818 12.381 5.426 1.00 0.00 C ATOM 398 NH1 ARG A 29 -8.193 12.878 6.484 1.00 0.00 N ATOM 399 NH2 ARG A 29 -10.041 12.801 5.125 1.00 0.00 N ATOM 0 H ARG A 29 -5.872 6.923 2.187 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.431 7.942 4.911 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.076 9.006 2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.192 9.313 3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.286 9.912 3.937 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.194 10.988 2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.921 10.241 5.755 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.233 11.767 5.236 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.732 11.105 3.861 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.253 12.558 6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.652 13.580 7.064 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.525 12.421 4.311 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.497 13.504 5.707 1.00 0.00 H new ATOM 413 N PRO A 30 -8.770 6.943 4.995 1.00 0.00 N ATOM 414 CA PRO A 30 -9.969 6.120 5.175 1.00 0.00 C ATOM 415 C PRO A 30 -11.075 6.484 4.190 1.00 0.00 C ATOM 416 O PRO A 30 -11.068 7.553 3.579 1.00 0.00 O ATOM 417 CB PRO A 30 -10.405 6.436 6.608 1.00 0.00 C ATOM 418 CG PRO A 30 -9.855 7.794 6.881 1.00 0.00 C ATOM 419 CD PRO A 30 -8.565 7.880 6.113 1.00 0.00 C ATOM 0 HA PRO A 30 -9.768 5.063 4.999 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.491 6.422 6.704 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.014 5.702 7.312 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.552 8.569 6.561 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.685 7.939 7.948 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.375 8.893 5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.712 7.592 6.727 1.00 0.00 H new ATOM 427 N PRO A 31 -12.049 5.576 4.030 1.00 0.00 N ATOM 428 CA PRO A 31 -13.181 5.780 3.121 1.00 0.00 C ATOM 429 C PRO A 31 -14.135 6.861 3.617 1.00 0.00 C ATOM 430 O PRO A 31 -14.387 6.978 4.816 1.00 0.00 O ATOM 431 CB PRO A 31 -13.876 4.417 3.109 1.00 0.00 C ATOM 432 CG PRO A 31 -13.508 3.792 4.410 1.00 0.00 C ATOM 433 CD PRO A 31 -12.121 4.280 4.726 1.00 0.00 C ATOM 0 HA PRO A 31 -12.858 6.117 2.136 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.956 4.525 3.013 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.540 3.809 2.269 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.210 4.078 5.193 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.533 2.704 4.341 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.969 4.391 5.800 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.360 3.588 4.366 1.00 0.00 H new ATOM 441 N ASP A 32 -14.664 7.649 2.687 1.00 0.00 N ATOM 442 CA ASP A 32 -15.593 8.720 3.030 1.00 0.00 C ATOM 443 C ASP A 32 -16.596 8.253 4.081 1.00 0.00 C ATOM 444 O ASP A 32 -16.812 8.926 5.089 1.00 0.00 O ATOM 445 CB ASP A 32 -16.331 9.202 1.781 1.00 0.00 C ATOM 446 CG ASP A 32 -15.424 9.954 0.826 1.00 0.00 C ATOM 447 OD1 ASP A 32 -14.373 10.454 1.277 1.00 0.00 O ATOM 448 OD2 ASP A 32 -15.767 10.044 -0.372 1.00 0.00 O ATOM 0 H ASP A 32 -14.465 7.566 1.690 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.018 9.548 3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.765 8.345 1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.157 9.848 2.077 1.00 0.00 H new ATOM 453 N HIS A 33 -17.207 7.098 3.837 1.00 0.00 N ATOM 454 CA HIS A 33 -18.188 6.542 4.762 1.00 0.00 C ATOM 455 C HIS A 33 -17.965 5.045 4.954 1.00 0.00 C ATOM 456 O HIS A 33 -17.527 4.350 4.037 1.00 0.00 O ATOM 457 CB HIS A 33 -19.605 6.797 4.249 1.00 0.00 C ATOM 458 CG HIS A 33 -20.675 6.350 5.197 1.00 0.00 C ATOM 459 ND1 HIS A 33 -21.341 5.149 5.069 1.00 0.00 N ATOM 460 CD2 HIS A 33 -21.192 6.950 6.295 1.00 0.00 C ATOM 461 CE1 HIS A 33 -22.222 5.031 6.046 1.00 0.00 C ATOM 462 NE2 HIS A 33 -22.152 6.110 6.804 1.00 0.00 N ATOM 0 H HIS A 33 -17.040 6.529 3.007 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.064 7.036 5.725 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.726 7.863 4.054 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -19.736 6.282 3.297 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -20.903 7.910 6.696 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -22.887 4.194 6.199 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -22.719 6.290 7.633 1.00 0.00 H new ATOM 471 N ILE A 34 -18.270 4.556 6.152 1.00 0.00 N ATOM 472 CA ILE A 34 -18.103 3.142 6.464 1.00 0.00 C ATOM 473 C ILE A 34 -19.401 2.373 6.240 1.00 0.00 C ATOM 474 O ILE A 34 -20.362 2.525 6.992 1.00 0.00 O ATOM 475 CB ILE A 34 -17.642 2.937 7.919 1.00 0.00 C ATOM 476 CG1 ILE A 34 -16.415 3.802 8.215 1.00 0.00 C ATOM 477 CG2 ILE A 34 -17.337 1.469 8.176 1.00 0.00 C ATOM 478 CD1 ILE A 34 -15.167 3.349 7.489 1.00 0.00 C ATOM 0 H ILE A 34 -18.634 5.118 6.922 1.00 0.00 H new ATOM 0 HA ILE A 34 -17.336 2.759 5.791 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.448 3.243 8.587 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.632 4.834 7.938 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.225 3.793 9.288 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.012 1.340 9.209 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.234 0.875 8.001 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -16.546 1.139 7.503 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.337 4.008 7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.925 2.328 7.784 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.339 3.385 6.413 1.00 0.00 H new ATOM 517 N GLY A 38 -19.161 -2.500 7.727 1.00 0.00 N ATOM 518 CA GLY A 38 -18.035 -2.079 8.540 1.00 0.00 C ATOM 519 C GLY A 38 -16.702 -2.357 7.874 1.00 0.00 C ATOM 520 O GLY A 38 -16.500 -3.425 7.294 1.00 0.00 O ATOM 0 HA2 GLY A 38 -18.119 -1.012 8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.072 -2.593 9.500 1.00 0.00 H new ATOM 524 N LEU A 39 -15.790 -1.395 7.955 1.00 0.00 N ATOM 525 CA LEU A 39 -14.469 -1.541 7.353 1.00 0.00 C ATOM 526 C LEU A 39 -13.556 -2.381 8.240 1.00 0.00 C ATOM 527 O LEU A 39 -13.474 -2.162 9.449 1.00 0.00 O ATOM 528 CB LEU A 39 -13.842 -0.166 7.114 1.00 0.00 C ATOM 529 CG LEU A 39 -12.322 -0.142 6.947 1.00 0.00 C ATOM 530 CD1 LEU A 39 -11.933 -0.566 5.539 1.00 0.00 C ATOM 531 CD2 LEU A 39 -11.773 1.243 7.260 1.00 0.00 C ATOM 0 H LEU A 39 -15.940 -0.506 8.431 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.587 -2.052 6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.293 0.266 6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.106 0.482 7.950 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.887 -0.851 7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.848 -0.543 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.293 -1.577 5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.379 0.118 4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.690 1.242 7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.215 1.972 6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.020 1.509 8.288 1.00 0.00 H new ATOM 543 N ASP A 40 -12.871 -3.343 7.632 1.00 0.00 N ATOM 544 CA ASP A 40 -11.961 -4.215 8.365 1.00 0.00 C ATOM 545 C ASP A 40 -10.523 -4.019 7.895 1.00 0.00 C ATOM 546 O ASP A 40 -10.107 -4.583 6.883 1.00 0.00 O ATOM 547 CB ASP A 40 -12.372 -5.678 8.192 1.00 0.00 C ATOM 548 CG ASP A 40 -13.725 -5.975 8.808 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.737 -5.451 8.298 1.00 0.00 O ATOM 550 OD2 ASP A 40 -13.772 -6.732 9.801 1.00 0.00 O ATOM 0 H ASP A 40 -12.929 -3.539 6.633 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.018 -3.952 9.421 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.398 -5.922 7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.619 -6.320 8.648 1.00 0.00 H new ATOM 555 N GLY A 41 -9.767 -3.214 8.636 1.00 0.00 N ATOM 556 CA GLY A 41 -8.385 -2.957 8.278 1.00 0.00 C ATOM 557 C GLY A 41 -8.198 -2.766 6.786 1.00 0.00 C ATOM 558 O GLY A 41 -9.071 -2.225 6.108 1.00 0.00 O ATOM 0 H GLY A 41 -10.088 -2.736 9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.037 -2.067 8.801 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.765 -3.788 8.615 1.00 0.00 H new ATOM 562 N TYR A 42 -7.056 -3.210 6.273 1.00 0.00 N ATOM 563 CA TYR A 42 -6.755 -3.082 4.852 1.00 0.00 C ATOM 564 C TYR A 42 -5.746 -4.137 4.411 1.00 0.00 C ATOM 565 O TYR A 42 -5.203 -4.876 5.233 1.00 0.00 O ATOM 566 CB TYR A 42 -6.214 -1.684 4.548 1.00 0.00 C ATOM 567 CG TYR A 42 -6.756 -0.612 5.465 1.00 0.00 C ATOM 568 CD1 TYR A 42 -6.262 -0.458 6.755 1.00 0.00 C ATOM 569 CD2 TYR A 42 -7.764 0.247 5.044 1.00 0.00 C ATOM 570 CE1 TYR A 42 -6.755 0.520 7.597 1.00 0.00 C ATOM 571 CE2 TYR A 42 -8.262 1.229 5.878 1.00 0.00 C ATOM 572 CZ TYR A 42 -7.755 1.361 7.154 1.00 0.00 C ATOM 573 OH TYR A 42 -8.249 2.336 7.989 1.00 0.00 O ATOM 0 H TYR A 42 -6.323 -3.662 6.820 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.680 -3.236 4.296 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.127 -1.700 4.624 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.457 -1.426 3.517 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.479 -1.114 7.105 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.165 0.145 4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.360 0.626 8.597 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.044 1.890 5.533 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.947 2.842 7.524 1.00 0.00 H new ATOM 583 N VAL A 43 -5.498 -4.202 3.107 1.00 0.00 N ATOM 584 CA VAL A 43 -4.553 -5.165 2.555 1.00 0.00 C ATOM 585 C VAL A 43 -3.520 -4.476 1.670 1.00 0.00 C ATOM 586 O VAL A 43 -3.867 -3.675 0.800 1.00 0.00 O ATOM 587 CB VAL A 43 -5.273 -6.251 1.734 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.266 -7.112 0.987 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.152 -7.105 2.636 1.00 0.00 C ATOM 0 H VAL A 43 -5.939 -3.599 2.413 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.049 -5.633 3.400 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.912 -5.762 0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.794 -7.874 0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.683 -6.486 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.599 -7.594 1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.653 -7.867 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.535 -7.586 3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.898 -6.474 3.120 1.00 0.00 H new ATOM 599 N LEU A 44 -2.250 -4.793 1.896 1.00 0.00 N ATOM 600 CA LEU A 44 -1.165 -4.204 1.119 1.00 0.00 C ATOM 601 C LEU A 44 -0.505 -5.251 0.227 1.00 0.00 C ATOM 602 O LEU A 44 -0.229 -6.368 0.664 1.00 0.00 O ATOM 603 CB LEU A 44 -0.123 -3.582 2.050 1.00 0.00 C ATOM 604 CG LEU A 44 0.833 -2.575 1.410 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.265 -1.167 1.499 1.00 0.00 C ATOM 606 CD2 LEU A 44 2.201 -2.644 2.073 1.00 0.00 C ATOM 0 H LEU A 44 -1.946 -5.454 2.611 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.587 -3.425 0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.646 -3.087 2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.468 -4.386 2.489 1.00 0.00 H new ATOM 0 HG LEU A 44 0.948 -2.831 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.960 -0.465 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.691 -1.127 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.119 -0.899 2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.869 -1.921 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.103 -2.414 3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.612 -3.647 1.955 1.00 0.00 H new ATOM 618 N GLU A 45 -0.252 -4.880 -1.025 1.00 0.00 N ATOM 619 CA GLU A 45 0.377 -5.787 -1.977 1.00 0.00 C ATOM 620 C GLU A 45 1.305 -5.027 -2.920 1.00 0.00 C ATOM 621 O GLU A 45 0.933 -3.993 -3.476 1.00 0.00 O ATOM 622 CB GLU A 45 -0.688 -6.534 -2.784 1.00 0.00 C ATOM 623 CG GLU A 45 -1.385 -7.633 -2.001 1.00 0.00 C ATOM 624 CD GLU A 45 -2.663 -8.104 -2.668 1.00 0.00 C ATOM 625 OE1 GLU A 45 -3.403 -7.252 -3.201 1.00 0.00 O ATOM 626 OE2 GLU A 45 -2.921 -9.326 -2.658 1.00 0.00 O ATOM 0 H GLU A 45 -0.473 -3.959 -1.402 1.00 0.00 H new ATOM 0 HA GLU A 45 0.970 -6.509 -1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.434 -5.820 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.223 -6.969 -3.669 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.707 -8.478 -1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.615 -7.270 -0.999 1.00 0.00 H new ATOM 633 N TYR A 46 2.515 -5.547 -3.095 1.00 0.00 N ATOM 634 CA TYR A 46 3.499 -4.917 -3.968 1.00 0.00 C ATOM 635 C TYR A 46 3.992 -5.896 -5.029 1.00 0.00 C ATOM 636 O TYR A 46 4.358 -7.031 -4.721 1.00 0.00 O ATOM 637 CB TYR A 46 4.681 -4.399 -3.148 1.00 0.00 C ATOM 638 CG TYR A 46 5.492 -5.495 -2.494 1.00 0.00 C ATOM 639 CD1 TYR A 46 5.007 -6.178 -1.386 1.00 0.00 C ATOM 640 CD2 TYR A 46 6.743 -5.848 -2.986 1.00 0.00 C ATOM 641 CE1 TYR A 46 5.745 -7.179 -0.785 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.487 -6.849 -2.393 1.00 0.00 C ATOM 643 CZ TYR A 46 6.984 -7.512 -1.292 1.00 0.00 C ATOM 644 OH TYR A 46 7.721 -8.510 -0.697 1.00 0.00 O ATOM 0 H TYR A 46 2.838 -6.403 -2.644 1.00 0.00 H new ATOM 0 HA TYR A 46 3.018 -4.078 -4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.333 -3.814 -3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.309 -3.724 -2.377 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.036 -5.922 -0.988 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.140 -5.331 -3.847 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.354 -7.698 0.077 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.457 -7.112 -2.789 1.00 0.00 H new ATOM 0 HH TYR A 46 8.568 -8.621 -1.177 1.00 0.00 H new ATOM 654 N CYS A 47 3.999 -5.448 -6.280 1.00 0.00 N ATOM 655 CA CYS A 47 4.447 -6.284 -7.388 1.00 0.00 C ATOM 656 C CYS A 47 5.907 -6.002 -7.726 1.00 0.00 C ATOM 657 O CYS A 47 6.278 -4.867 -8.027 1.00 0.00 O ATOM 658 CB CYS A 47 3.571 -6.046 -8.620 1.00 0.00 C ATOM 659 SG CYS A 47 4.355 -6.506 -10.183 1.00 0.00 S ATOM 0 H CYS A 47 3.700 -4.512 -6.552 1.00 0.00 H new ATOM 0 HA CYS A 47 4.358 -7.327 -7.083 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.646 -6.612 -8.510 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.297 -4.992 -8.660 1.00 0.00 H new ATOM 0 HG CYS A 47 3.537 -6.270 -11.165 1.00 0.00 H new ATOM 665 N PHE A 48 6.733 -7.042 -7.672 1.00 0.00 N ATOM 666 CA PHE A 48 8.154 -6.907 -7.970 1.00 0.00 C ATOM 667 C PHE A 48 8.412 -7.048 -9.467 1.00 0.00 C ATOM 668 O PHE A 48 7.843 -7.918 -10.126 1.00 0.00 O ATOM 669 CB PHE A 48 8.960 -7.955 -7.201 1.00 0.00 C ATOM 670 CG PHE A 48 10.353 -7.508 -6.860 1.00 0.00 C ATOM 671 CD1 PHE A 48 10.563 -6.477 -5.958 1.00 0.00 C ATOM 672 CD2 PHE A 48 11.452 -8.120 -7.441 1.00 0.00 C ATOM 673 CE1 PHE A 48 11.844 -6.064 -5.642 1.00 0.00 C ATOM 674 CE2 PHE A 48 12.735 -7.711 -7.128 1.00 0.00 C ATOM 675 CZ PHE A 48 12.931 -6.681 -6.229 1.00 0.00 C ATOM 0 H PHE A 48 6.442 -7.988 -7.424 1.00 0.00 H new ATOM 0 HA PHE A 48 8.472 -5.913 -7.657 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.432 -8.205 -6.281 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.015 -8.867 -7.795 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.716 -5.991 -5.497 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.305 -8.925 -8.146 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.994 -5.260 -4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.584 -8.197 -7.586 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.933 -6.359 -5.986 1.00 0.00 H new ATOM 685 N GLU A 49 9.274 -6.186 -9.997 1.00 0.00 N ATOM 686 CA GLU A 49 9.607 -6.214 -11.417 1.00 0.00 C ATOM 687 C GLU A 49 10.094 -7.599 -11.834 1.00 0.00 C ATOM 688 O GLU A 49 9.758 -8.089 -12.911 1.00 0.00 O ATOM 689 CB GLU A 49 10.678 -5.168 -11.733 1.00 0.00 C ATOM 690 CG GLU A 49 11.909 -5.271 -10.849 1.00 0.00 C ATOM 691 CD GLU A 49 12.835 -6.397 -11.267 1.00 0.00 C ATOM 692 OE1 GLU A 49 12.800 -6.784 -12.454 1.00 0.00 O ATOM 693 OE2 GLU A 49 13.593 -6.892 -10.407 1.00 0.00 O ATOM 0 H GLU A 49 9.754 -5.460 -9.465 1.00 0.00 H new ATOM 0 HA GLU A 49 8.704 -5.980 -11.981 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.980 -5.273 -12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.246 -4.173 -11.625 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.454 -4.327 -10.880 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.598 -5.426 -9.816 1.00 0.00 H new ATOM 700 N GLY A 50 10.890 -8.225 -10.972 1.00 0.00 N ATOM 701 CA GLY A 50 11.411 -9.546 -11.268 1.00 0.00 C ATOM 702 C GLY A 50 10.334 -10.613 -11.249 1.00 0.00 C ATOM 703 O GLY A 50 10.515 -11.700 -11.798 1.00 0.00 O ATOM 0 H GLY A 50 11.183 -7.840 -10.074 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.888 -9.534 -12.248 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.182 -9.800 -10.541 1.00 0.00 H new ATOM 707 N THR A 51 9.208 -10.303 -10.613 1.00 0.00 N ATOM 708 CA THR A 51 8.098 -11.244 -10.521 1.00 0.00 C ATOM 709 C THR A 51 6.941 -10.818 -11.418 1.00 0.00 C ATOM 710 O THR A 51 7.012 -9.790 -12.090 1.00 0.00 O ATOM 711 CB THR A 51 7.590 -11.373 -9.073 1.00 0.00 C ATOM 712 OG1 THR A 51 7.133 -10.102 -8.598 1.00 0.00 O ATOM 713 CG2 THR A 51 8.688 -11.897 -8.159 1.00 0.00 C ATOM 0 H THR A 51 9.041 -9.408 -10.154 1.00 0.00 H new ATOM 0 HA THR A 51 8.475 -12.211 -10.853 1.00 0.00 H new ATOM 0 HB THR A 51 6.762 -12.082 -9.064 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.326 -9.414 -9.268 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.306 -11.980 -7.142 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.013 -12.878 -8.506 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.533 -11.209 -8.174 1.00 0.00 H new ATOM 721 N GLU A 52 5.877 -11.615 -11.421 1.00 0.00 N ATOM 722 CA GLU A 52 4.705 -11.319 -12.236 1.00 0.00 C ATOM 723 C GLU A 52 3.460 -11.172 -11.366 1.00 0.00 C ATOM 724 O GLU A 52 2.587 -10.351 -11.646 1.00 0.00 O ATOM 725 CB GLU A 52 4.487 -12.420 -13.275 1.00 0.00 C ATOM 726 CG GLU A 52 3.469 -12.057 -14.343 1.00 0.00 C ATOM 727 CD GLU A 52 4.058 -11.195 -15.442 1.00 0.00 C ATOM 728 OE1 GLU A 52 4.109 -9.960 -15.264 1.00 0.00 O ATOM 729 OE2 GLU A 52 4.469 -11.755 -16.480 1.00 0.00 O ATOM 0 H GLU A 52 5.803 -12.469 -10.869 1.00 0.00 H new ATOM 0 HA GLU A 52 4.882 -10.374 -12.750 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.439 -12.648 -13.755 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.160 -13.327 -12.767 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.065 -12.970 -14.780 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.635 -11.529 -13.880 1.00 0.00 H new ATOM 736 N ASP A 53 3.386 -11.975 -10.310 1.00 0.00 N ATOM 737 CA ASP A 53 2.249 -11.935 -9.397 1.00 0.00 C ATOM 738 C ASP A 53 2.493 -10.939 -8.268 1.00 0.00 C ATOM 739 O ASP A 53 3.634 -10.703 -7.871 1.00 0.00 O ATOM 740 CB ASP A 53 1.984 -13.326 -8.818 1.00 0.00 C ATOM 741 CG ASP A 53 1.395 -14.277 -9.842 1.00 0.00 C ATOM 742 OD1 ASP A 53 2.173 -14.868 -10.618 1.00 0.00 O ATOM 743 OD2 ASP A 53 0.156 -14.428 -9.867 1.00 0.00 O ATOM 0 H ASP A 53 4.100 -12.661 -10.065 1.00 0.00 H new ATOM 0 HA ASP A 53 1.374 -11.611 -9.960 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.917 -13.741 -8.435 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.302 -13.240 -7.972 1.00 0.00 H new ATOM 748 N TRP A 54 1.415 -10.357 -7.757 1.00 0.00 N ATOM 749 CA TRP A 54 1.512 -9.384 -6.674 1.00 0.00 C ATOM 750 C TRP A 54 1.884 -10.066 -5.362 1.00 0.00 C ATOM 751 O TRP A 54 1.372 -11.139 -5.044 1.00 0.00 O ATOM 752 CB TRP A 54 0.189 -8.633 -6.516 1.00 0.00 C ATOM 753 CG TRP A 54 -0.008 -7.556 -7.540 1.00 0.00 C ATOM 754 CD1 TRP A 54 -0.521 -7.704 -8.796 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.307 -6.167 -7.394 1.00 0.00 C ATOM 756 NE1 TRP A 54 -0.545 -6.490 -9.440 1.00 0.00 N ATOM 757 CE2 TRP A 54 -0.043 -5.531 -8.601 1.00 0.00 C ATOM 758 CE3 TRP A 54 0.848 -5.397 -6.360 1.00 0.00 C ATOM 759 CZ2 TRP A 54 0.133 -4.164 -8.801 1.00 0.00 C ATOM 760 CZ3 TRP A 54 1.022 -4.041 -6.560 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.665 -3.436 -7.772 1.00 0.00 C ATOM 0 H TRP A 54 0.463 -10.541 -8.074 1.00 0.00 H new ATOM 0 HA TRP A 54 2.298 -8.672 -6.927 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.635 -9.344 -6.584 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.147 -8.190 -5.521 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.858 -8.638 -9.221 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.882 -6.329 -10.389 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.125 -5.854 -5.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.141 -3.695 -9.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.440 -3.437 -5.768 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.813 -2.373 -7.897 1.00 0.00 H new ATOM 772 N ILE A 55 2.776 -9.436 -4.605 1.00 0.00 N ATOM 773 CA ILE A 55 3.214 -9.983 -3.327 1.00 0.00 C ATOM 774 C ILE A 55 2.529 -9.276 -2.163 1.00 0.00 C ATOM 775 O ILE A 55 2.315 -8.064 -2.197 1.00 0.00 O ATOM 776 CB ILE A 55 4.741 -9.865 -3.158 1.00 0.00 C ATOM 777 CG1 ILE A 55 5.460 -10.589 -4.297 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.169 -10.427 -1.811 1.00 0.00 C ATOM 779 CD1 ILE A 55 5.736 -9.708 -5.495 1.00 0.00 C ATOM 0 H ILE A 55 3.209 -8.547 -4.854 1.00 0.00 H new ATOM 0 HA ILE A 55 2.936 -11.037 -3.323 1.00 0.00 H new ATOM 0 HB ILE A 55 5.016 -8.811 -3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.404 -10.988 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.857 -11.440 -4.613 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.250 -10.337 -1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.679 -9.870 -1.012 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.885 -11.477 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.248 -10.288 -6.263 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.794 -9.330 -5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.365 -8.870 -5.194 1.00 0.00 H new ATOM 791 N VAL A 56 2.186 -10.042 -1.132 1.00 0.00 N ATOM 792 CA VAL A 56 1.527 -9.489 0.045 1.00 0.00 C ATOM 793 C VAL A 56 2.542 -9.119 1.121 1.00 0.00 C ATOM 794 O VAL A 56 3.602 -9.735 1.227 1.00 0.00 O ATOM 795 CB VAL A 56 0.509 -10.482 0.637 1.00 0.00 C ATOM 796 CG1 VAL A 56 1.095 -11.885 0.683 1.00 0.00 C ATOM 797 CG2 VAL A 56 0.070 -10.033 2.022 1.00 0.00 C ATOM 0 H VAL A 56 2.354 -11.047 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 56 1.002 -8.591 -0.280 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.369 -10.502 -0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.361 -12.572 1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.354 -12.204 -0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.991 -11.885 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.649 -10.746 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.938 -9.982 2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.394 -9.049 1.955 1.00 0.00 H new ATOM 807 N ALA A 57 2.210 -8.108 1.917 1.00 0.00 N ATOM 808 CA ALA A 57 3.092 -7.657 2.987 1.00 0.00 C ATOM 809 C ALA A 57 2.541 -8.047 4.354 1.00 0.00 C ATOM 810 O ALA A 57 3.290 -8.448 5.244 1.00 0.00 O ATOM 811 CB ALA A 57 3.291 -6.150 2.906 1.00 0.00 C ATOM 0 H ALA A 57 1.337 -7.586 1.841 1.00 0.00 H new ATOM 0 HA ALA A 57 4.057 -8.148 2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.951 -5.826 3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.737 -5.893 1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.327 -5.650 3.004 1.00 0.00 H new ATOM 817 N ASN A 58 1.227 -7.926 4.514 1.00 0.00 N ATOM 818 CA ASN A 58 0.576 -8.265 5.774 1.00 0.00 C ATOM 819 C ASN A 58 0.161 -9.733 5.794 1.00 0.00 C ATOM 820 O ASN A 58 -0.130 -10.322 4.753 1.00 0.00 O ATOM 821 CB ASN A 58 -0.648 -7.374 5.996 1.00 0.00 C ATOM 822 CG ASN A 58 -1.636 -7.453 4.847 1.00 0.00 C ATOM 823 OD1 ASN A 58 -1.263 -7.308 3.683 1.00 0.00 O ATOM 824 ND2 ASN A 58 -2.903 -7.683 5.171 1.00 0.00 N ATOM 0 H ASN A 58 0.592 -7.596 3.787 1.00 0.00 H new ATOM 0 HA ASN A 58 1.290 -8.097 6.580 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.145 -7.668 6.920 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.324 -6.341 6.123 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.613 -7.746 4.441 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.167 -7.797 6.150 1.00 0.00 H new ATOM 831 N LYS A 59 0.136 -10.319 6.986 1.00 0.00 N ATOM 832 CA LYS A 59 -0.245 -11.717 7.144 1.00 0.00 C ATOM 833 C LYS A 59 -1.762 -11.866 7.190 1.00 0.00 C ATOM 834 O LYS A 59 -2.311 -12.867 6.729 1.00 0.00 O ATOM 835 CB LYS A 59 0.374 -12.295 8.419 1.00 0.00 C ATOM 836 CG LYS A 59 -0.342 -11.869 9.690 1.00 0.00 C ATOM 837 CD LYS A 59 0.126 -10.502 10.161 1.00 0.00 C ATOM 838 CE LYS A 59 -0.259 -10.252 11.611 1.00 0.00 C ATOM 839 NZ LYS A 59 -1.683 -9.838 11.744 1.00 0.00 N ATOM 0 H LYS A 59 0.375 -9.847 7.858 1.00 0.00 H new ATOM 0 HA LYS A 59 0.130 -12.269 6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.367 -13.383 8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.418 -11.986 8.479 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.417 -11.846 9.513 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.164 -12.606 10.473 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.208 -10.429 10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.310 -9.729 9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.088 -11.158 12.193 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.385 -9.478 12.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.906 -9.677 12.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.841 -8.960 11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.299 -10.587 11.368 1.00 0.00 H new ATOM 853 N ASP A 60 -2.434 -10.865 7.748 1.00 0.00 N ATOM 854 CA ASP A 60 -3.888 -10.884 7.852 1.00 0.00 C ATOM 855 C ASP A 60 -4.481 -9.549 7.410 1.00 0.00 C ATOM 856 O ASP A 60 -5.108 -9.456 6.354 1.00 0.00 O ATOM 857 CB ASP A 60 -4.314 -11.195 9.287 1.00 0.00 C ATOM 858 CG ASP A 60 -5.661 -11.889 9.354 1.00 0.00 C ATOM 859 OD1 ASP A 60 -5.726 -13.092 9.023 1.00 0.00 O ATOM 860 OD2 ASP A 60 -6.649 -11.230 9.737 1.00 0.00 O ATOM 0 H ASP A 60 -1.995 -10.030 8.135 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.265 -11.666 7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.560 -11.825 9.758 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.357 -10.268 9.859 1.00 0.00 H new ATOM 865 N LEU A 61 -4.281 -8.520 8.226 1.00 0.00 N ATOM 866 CA LEU A 61 -4.797 -7.190 7.920 1.00 0.00 C ATOM 867 C LEU A 61 -3.974 -6.113 8.618 1.00 0.00 C ATOM 868 O LEU A 61 -3.243 -6.395 9.568 1.00 0.00 O ATOM 869 CB LEU A 61 -6.264 -7.081 8.341 1.00 0.00 C ATOM 870 CG LEU A 61 -7.283 -7.717 7.395 1.00 0.00 C ATOM 871 CD1 LEU A 61 -8.671 -7.703 8.018 1.00 0.00 C ATOM 872 CD2 LEU A 61 -7.290 -6.995 6.056 1.00 0.00 C ATOM 0 H LEU A 61 -3.766 -8.581 9.104 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.722 -7.037 6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.374 -7.540 9.323 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.512 -6.025 8.453 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.994 -8.754 7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.383 -8.160 7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.656 -8.265 8.952 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.969 -6.674 8.219 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.021 -7.461 5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.554 -5.948 6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.300 -7.058 5.604 1.00 0.00 H new ATOM 884 N ILE A 62 -4.100 -4.878 8.143 1.00 0.00 N ATOM 885 CA ILE A 62 -3.370 -3.758 8.724 1.00 0.00 C ATOM 886 C ILE A 62 -4.293 -2.873 9.554 1.00 0.00 C ATOM 887 O ILE A 62 -5.187 -2.217 9.020 1.00 0.00 O ATOM 888 CB ILE A 62 -2.695 -2.901 7.637 1.00 0.00 C ATOM 889 CG1 ILE A 62 -1.747 -3.759 6.796 1.00 0.00 C ATOM 890 CG2 ILE A 62 -1.945 -1.738 8.270 1.00 0.00 C ATOM 891 CD1 ILE A 62 -1.567 -3.251 5.382 1.00 0.00 C ATOM 0 H ILE A 62 -4.701 -4.628 7.357 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.601 -4.183 9.369 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.467 -2.497 6.982 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.774 -3.798 7.286 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.128 -4.780 6.761 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.473 -1.141 7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.644 -1.116 8.830 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.180 -2.122 8.945 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.883 -3.907 4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.532 -3.238 4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.157 -2.241 5.408 1.00 0.00 H new ATOM 903 N ASP A 63 -4.068 -2.857 10.864 1.00 0.00 N ATOM 904 CA ASP A 63 -4.878 -2.049 11.768 1.00 0.00 C ATOM 905 C ASP A 63 -4.280 -0.655 11.934 1.00 0.00 C ATOM 906 O ASP A 63 -4.310 -0.079 13.022 1.00 0.00 O ATOM 907 CB ASP A 63 -4.993 -2.733 13.132 1.00 0.00 C ATOM 908 CG ASP A 63 -6.166 -2.216 13.941 1.00 0.00 C ATOM 909 OD1 ASP A 63 -7.320 -2.409 13.503 1.00 0.00 O ATOM 910 OD2 ASP A 63 -5.931 -1.617 15.012 1.00 0.00 O ATOM 0 H ASP A 63 -3.332 -3.394 11.323 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.873 -1.949 11.334 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.100 -3.808 12.988 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.071 -2.577 13.693 1.00 0.00 H new ATOM 915 N LYS A 64 -3.737 -0.117 10.847 1.00 0.00 N ATOM 916 CA LYS A 64 -3.132 1.210 10.870 1.00 0.00 C ATOM 917 C LYS A 64 -3.142 1.836 9.479 1.00 0.00 C ATOM 918 O LYS A 64 -2.894 1.159 8.480 1.00 0.00 O ATOM 919 CB LYS A 64 -1.697 1.129 11.395 1.00 0.00 C ATOM 920 CG LYS A 64 -0.978 -0.151 11.006 1.00 0.00 C ATOM 921 CD LYS A 64 0.292 -0.345 11.818 1.00 0.00 C ATOM 922 CE LYS A 64 1.422 0.535 11.306 1.00 0.00 C ATOM 923 NZ LYS A 64 1.421 1.873 11.958 1.00 0.00 N ATOM 0 H LYS A 64 -3.703 -0.580 9.939 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.721 1.840 11.537 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.132 1.982 11.018 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.711 1.212 12.482 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.641 -1.003 11.157 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.732 -0.123 9.945 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.095 -0.113 12.865 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.596 -1.391 11.775 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.377 0.043 11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.327 0.657 10.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.407 2.614 11.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.579 1.965 12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.277 1.976 12.540 1.00 0.00 H new ATOM 937 N THR A 65 -3.428 3.133 9.420 1.00 0.00 N ATOM 938 CA THR A 65 -3.469 3.850 8.152 1.00 0.00 C ATOM 939 C THR A 65 -2.082 3.939 7.526 1.00 0.00 C ATOM 940 O THR A 65 -1.922 4.451 6.418 1.00 0.00 O ATOM 941 CB THR A 65 -4.032 5.273 8.330 1.00 0.00 C ATOM 942 OG1 THR A 65 -3.499 5.866 9.519 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.551 5.248 8.406 1.00 0.00 C ATOM 0 H THR A 65 -3.635 3.708 10.236 1.00 0.00 H new ATOM 0 HA THR A 65 -4.127 3.287 7.491 1.00 0.00 H new ATOM 0 HB THR A 65 -3.737 5.867 7.465 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.861 6.771 9.624 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.926 6.264 8.532 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.954 4.824 7.487 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.863 4.639 9.254 1.00 0.00 H new ATOM 951 N LYS A 66 -1.082 3.436 8.241 1.00 0.00 N ATOM 952 CA LYS A 66 0.293 3.456 7.755 1.00 0.00 C ATOM 953 C LYS A 66 0.861 2.043 7.672 1.00 0.00 C ATOM 954 O LYS A 66 0.287 1.100 8.215 1.00 0.00 O ATOM 955 CB LYS A 66 1.167 4.317 8.670 1.00 0.00 C ATOM 956 CG LYS A 66 1.044 5.807 8.404 1.00 0.00 C ATOM 957 CD LYS A 66 2.034 6.269 7.348 1.00 0.00 C ATOM 958 CE LYS A 66 3.418 6.489 7.941 1.00 0.00 C ATOM 959 NZ LYS A 66 3.457 7.685 8.827 1.00 0.00 N ATOM 0 H LYS A 66 -1.198 3.009 9.160 1.00 0.00 H new ATOM 0 HA LYS A 66 0.292 3.887 6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.898 4.118 9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.209 4.020 8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.030 6.037 8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.214 6.358 9.329 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.092 5.527 6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.679 7.195 6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.715 5.607 8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.143 6.609 7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.444 7.982 8.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.920 8.460 8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.034 7.449 9.747 1.00 0.00 H new ATOM 973 N PHE A 67 1.994 1.905 6.990 1.00 0.00 N ATOM 974 CA PHE A 67 2.641 0.607 6.837 1.00 0.00 C ATOM 975 C PHE A 67 4.064 0.767 6.310 1.00 0.00 C ATOM 976 O PHE A 67 4.395 1.770 5.677 1.00 0.00 O ATOM 977 CB PHE A 67 1.831 -0.281 5.891 1.00 0.00 C ATOM 978 CG PHE A 67 2.284 -1.713 5.879 1.00 0.00 C ATOM 979 CD1 PHE A 67 3.422 -2.088 5.183 1.00 0.00 C ATOM 980 CD2 PHE A 67 1.570 -2.685 6.562 1.00 0.00 C ATOM 981 CE1 PHE A 67 3.841 -3.405 5.170 1.00 0.00 C ATOM 982 CE2 PHE A 67 1.985 -4.003 6.554 1.00 0.00 C ATOM 983 CZ PHE A 67 3.121 -4.364 5.856 1.00 0.00 C ATOM 0 H PHE A 67 2.483 2.676 6.535 1.00 0.00 H new ATOM 0 HA PHE A 67 2.687 0.134 7.818 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.781 -0.243 6.180 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.899 0.122 4.880 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.988 -1.342 4.644 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.679 -2.409 7.107 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.730 -3.684 4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.422 -4.750 7.093 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.446 -5.394 5.847 1.00 0.00 H new ATOM 993 N THR A 68 4.902 -0.229 6.576 1.00 0.00 N ATOM 994 CA THR A 68 6.290 -0.200 6.131 1.00 0.00 C ATOM 995 C THR A 68 6.771 -1.592 5.739 1.00 0.00 C ATOM 996 O THR A 68 6.634 -2.545 6.506 1.00 0.00 O ATOM 997 CB THR A 68 7.218 0.363 7.223 1.00 0.00 C ATOM 998 OG1 THR A 68 6.732 1.633 7.672 1.00 0.00 O ATOM 999 CG2 THR A 68 8.639 0.515 6.701 1.00 0.00 C ATOM 0 H THR A 68 4.644 -1.067 7.098 1.00 0.00 H new ATOM 0 HA THR A 68 6.329 0.453 5.259 1.00 0.00 H new ATOM 0 HB THR A 68 7.227 -0.338 8.057 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.327 1.984 8.367 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.276 0.914 7.490 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.017 -0.458 6.387 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.643 1.198 5.851 1.00 0.00 H new ATOM 1007 N ILE A 69 7.336 -1.702 4.541 1.00 0.00 N ATOM 1008 CA ILE A 69 7.839 -2.979 4.049 1.00 0.00 C ATOM 1009 C ILE A 69 9.313 -3.159 4.397 1.00 0.00 C ATOM 1010 O ILE A 69 10.101 -2.216 4.321 1.00 0.00 O ATOM 1011 CB ILE A 69 7.665 -3.103 2.524 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.233 -2.744 2.122 1.00 0.00 C ATOM 1013 CG2 ILE A 69 8.013 -4.510 2.064 1.00 0.00 C ATOM 1014 CD1 ILE A 69 6.093 -2.352 0.668 1.00 0.00 C ATOM 0 H ILE A 69 7.457 -0.923 3.894 1.00 0.00 H new ATOM 0 HA ILE A 69 7.254 -3.758 4.538 1.00 0.00 H new ATOM 0 HB ILE A 69 8.345 -2.404 2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.583 -3.596 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.884 -1.922 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.885 -4.582 0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.049 -4.732 2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.355 -5.227 2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.052 -2.111 0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.716 -1.481 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.410 -3.181 0.035 1.00 0.00 H new ATOM 1026 N THR A 70 9.680 -4.379 4.778 1.00 0.00 N ATOM 1027 CA THR A 70 11.059 -4.685 5.137 1.00 0.00 C ATOM 1028 C THR A 70 11.639 -5.762 4.227 1.00 0.00 C ATOM 1029 O THR A 70 10.975 -6.752 3.920 1.00 0.00 O ATOM 1030 CB THR A 70 11.169 -5.152 6.600 1.00 0.00 C ATOM 1031 OG1 THR A 70 10.450 -6.378 6.778 1.00 0.00 O ATOM 1032 CG2 THR A 70 10.621 -4.095 7.548 1.00 0.00 C ATOM 0 H THR A 70 9.041 -5.171 4.846 1.00 0.00 H new ATOM 0 HA THR A 70 11.628 -3.764 5.014 1.00 0.00 H new ATOM 0 HB THR A 70 12.223 -5.312 6.829 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.526 -6.669 7.711 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.709 -4.447 8.576 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.188 -3.172 7.431 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.572 -3.908 7.317 1.00 0.00 H new ATOM 1040 N GLY A 71 12.882 -5.563 3.798 1.00 0.00 N ATOM 1041 CA GLY A 71 13.529 -6.527 2.928 1.00 0.00 C ATOM 1042 C GLY A 71 13.376 -6.178 1.461 1.00 0.00 C ATOM 1043 O GLY A 71 12.791 -6.942 0.691 1.00 0.00 O ATOM 0 H GLY A 71 13.452 -4.752 4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.589 -6.582 3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.107 -7.516 3.109 1.00 0.00 H new ATOM 1047 N LEU A 72 13.899 -5.021 1.071 1.00 0.00 N ATOM 1048 CA LEU A 72 13.816 -4.571 -0.314 1.00 0.00 C ATOM 1049 C LEU A 72 15.179 -4.108 -0.818 1.00 0.00 C ATOM 1050 O LEU A 72 15.888 -3.349 -0.157 1.00 0.00 O ATOM 1051 CB LEU A 72 12.799 -3.435 -0.442 1.00 0.00 C ATOM 1052 CG LEU A 72 11.327 -3.849 -0.434 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.428 -2.623 -0.486 1.00 0.00 C ATOM 1054 CD2 LEU A 72 11.029 -4.781 -1.598 1.00 0.00 C ATOM 0 H LEU A 72 14.385 -4.377 1.695 1.00 0.00 H new ATOM 0 HA LEU A 72 13.490 -5.413 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.963 -2.733 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.000 -2.897 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 72 11.124 -4.384 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.384 -2.937 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.623 -1.992 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.632 -2.060 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.977 -5.065 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.248 -4.272 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.648 -5.674 -1.516 1.00 0.00 H new ATOM 1066 N PRO A 73 15.554 -4.572 -2.020 1.00 0.00 N ATOM 1067 CA PRO A 73 16.833 -4.216 -2.641 1.00 0.00 C ATOM 1068 C PRO A 73 16.878 -2.756 -3.082 1.00 0.00 C ATOM 1069 O PRO A 73 15.865 -2.191 -3.496 1.00 0.00 O ATOM 1070 CB PRO A 73 16.908 -5.144 -3.856 1.00 0.00 C ATOM 1071 CG PRO A 73 15.488 -5.460 -4.179 1.00 0.00 C ATOM 1072 CD PRO A 73 14.759 -5.479 -2.864 1.00 0.00 C ATOM 0 HA PRO A 73 17.667 -4.329 -1.949 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.406 -4.658 -4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.473 -6.048 -3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.064 -4.712 -4.849 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.407 -6.423 -4.684 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.731 -5.132 -2.969 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.715 -6.484 -2.444 1.00 0.00 H new ATOM 1080 N THR A 74 18.058 -2.151 -2.991 1.00 0.00 N ATOM 1081 CA THR A 74 18.234 -0.757 -3.380 1.00 0.00 C ATOM 1082 C THR A 74 18.205 -0.602 -4.896 1.00 0.00 C ATOM 1083 O THR A 74 18.537 -1.532 -5.631 1.00 0.00 O ATOM 1084 CB THR A 74 19.559 -0.187 -2.841 1.00 0.00 C ATOM 1085 OG1 THR A 74 19.679 -0.464 -1.441 1.00 0.00 O ATOM 1086 CG2 THR A 74 19.637 1.314 -3.075 1.00 0.00 C ATOM 0 H THR A 74 18.906 -2.604 -2.651 1.00 0.00 H new ATOM 0 HA THR A 74 17.404 -0.200 -2.945 1.00 0.00 H new ATOM 0 HB THR A 74 20.379 -0.665 -3.376 1.00 0.00 H new ATOM 0 HG1 THR A 74 18.813 -0.324 -1.004 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.582 1.694 -2.686 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.576 1.519 -4.144 1.00 0.00 H new ATOM 0 HG23 THR A 74 18.810 1.806 -2.563 1.00 0.00 H new ATOM 1094 N ASP A 75 17.808 0.579 -5.357 1.00 0.00 N ATOM 1095 CA ASP A 75 17.738 0.857 -6.787 1.00 0.00 C ATOM 1096 C ASP A 75 16.815 -0.133 -7.489 1.00 0.00 C ATOM 1097 O ASP A 75 17.084 -0.561 -8.611 1.00 0.00 O ATOM 1098 CB ASP A 75 19.135 0.800 -7.408 1.00 0.00 C ATOM 1099 CG ASP A 75 19.207 1.522 -8.739 1.00 0.00 C ATOM 1100 OD1 ASP A 75 18.932 0.884 -9.777 1.00 0.00 O ATOM 1101 OD2 ASP A 75 19.537 2.726 -8.743 1.00 0.00 O ATOM 0 H ASP A 75 17.530 1.359 -4.762 1.00 0.00 H new ATOM 0 HA ASP A 75 17.331 1.860 -6.918 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.854 1.242 -6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.426 -0.241 -7.547 1.00 0.00 H new ATOM 1106 N ALA A 76 15.725 -0.494 -6.820 1.00 0.00 N ATOM 1107 CA ALA A 76 14.761 -1.434 -7.380 1.00 0.00 C ATOM 1108 C ALA A 76 13.407 -0.766 -7.599 1.00 0.00 C ATOM 1109 O ALA A 76 13.031 0.153 -6.872 1.00 0.00 O ATOM 1110 CB ALA A 76 14.613 -2.644 -6.469 1.00 0.00 C ATOM 0 H ALA A 76 15.487 -0.150 -5.890 1.00 0.00 H new ATOM 0 HA ALA A 76 15.135 -1.766 -8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.890 -3.337 -6.899 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.577 -3.142 -6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.265 -2.320 -5.488 1.00 0.00 H new ATOM 1116 N LYS A 77 12.679 -1.234 -8.607 1.00 0.00 N ATOM 1117 CA LYS A 77 11.366 -0.683 -8.923 1.00 0.00 C ATOM 1118 C LYS A 77 10.260 -1.660 -8.540 1.00 0.00 C ATOM 1119 O LYS A 77 10.354 -2.857 -8.812 1.00 0.00 O ATOM 1120 CB LYS A 77 11.275 -0.352 -10.415 1.00 0.00 C ATOM 1121 CG LYS A 77 12.162 0.807 -10.836 1.00 0.00 C ATOM 1122 CD LYS A 77 11.593 1.533 -12.044 1.00 0.00 C ATOM 1123 CE LYS A 77 12.047 2.984 -12.085 1.00 0.00 C ATOM 1124 NZ LYS A 77 11.787 3.609 -13.412 1.00 0.00 N ATOM 0 H LYS A 77 12.976 -1.994 -9.219 1.00 0.00 H new ATOM 0 HA LYS A 77 11.234 0.232 -8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.548 -1.236 -10.992 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.240 -0.116 -10.664 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.267 1.506 -10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.160 0.437 -11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.907 1.026 -12.956 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.504 1.492 -12.015 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.529 3.549 -11.310 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.112 3.038 -11.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.110 4.597 -13.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.301 3.086 -14.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.767 3.581 -13.615 1.00 0.00 H new ATOM 1138 N ILE A 78 9.212 -1.141 -7.908 1.00 0.00 N ATOM 1139 CA ILE A 78 8.086 -1.968 -7.490 1.00 0.00 C ATOM 1140 C ILE A 78 6.776 -1.191 -7.563 1.00 0.00 C ATOM 1141 O ILE A 78 6.764 0.036 -7.467 1.00 0.00 O ATOM 1142 CB ILE A 78 8.278 -2.496 -6.056 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.320 -1.333 -5.063 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.550 -3.326 -5.963 1.00 0.00 C ATOM 1145 CD1 ILE A 78 8.128 -1.760 -3.624 1.00 0.00 C ATOM 0 H ILE A 78 9.119 -0.152 -7.674 1.00 0.00 H new ATOM 0 HA ILE A 78 8.043 -2.813 -8.177 1.00 0.00 H new ATOM 0 HB ILE A 78 7.432 -3.135 -5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.277 -0.820 -5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.545 -0.613 -5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.672 -3.692 -4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.483 -4.172 -6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.407 -2.709 -6.232 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.169 -0.884 -2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.159 -2.247 -3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.917 -2.457 -3.343 1.00 0.00 H new ATOM 1157 N PHE A 79 5.675 -1.914 -7.732 1.00 0.00 N ATOM 1158 CA PHE A 79 4.358 -1.293 -7.817 1.00 0.00 C ATOM 1159 C PHE A 79 3.601 -1.440 -6.501 1.00 0.00 C ATOM 1160 O PHE A 79 3.526 -2.530 -5.933 1.00 0.00 O ATOM 1161 CB PHE A 79 3.549 -1.917 -8.956 1.00 0.00 C ATOM 1162 CG PHE A 79 4.217 -1.806 -10.297 1.00 0.00 C ATOM 1163 CD1 PHE A 79 4.088 -0.654 -11.057 1.00 0.00 C ATOM 1164 CD2 PHE A 79 4.973 -2.854 -10.798 1.00 0.00 C ATOM 1165 CE1 PHE A 79 4.702 -0.549 -12.291 1.00 0.00 C ATOM 1166 CE2 PHE A 79 5.589 -2.753 -12.031 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.452 -1.600 -12.779 1.00 0.00 C ATOM 0 H PHE A 79 5.668 -2.931 -7.813 1.00 0.00 H new ATOM 0 HA PHE A 79 4.497 -0.231 -8.019 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.374 -2.969 -8.732 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.573 -1.435 -9.004 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.501 0.171 -10.681 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.082 -3.759 -10.219 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.595 0.355 -12.873 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.177 -3.576 -12.410 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.931 -1.521 -13.744 1.00 0.00 H new ATOM 1177 N VAL A 80 3.041 -0.335 -6.020 1.00 0.00 N ATOM 1178 CA VAL A 80 2.290 -0.339 -4.771 1.00 0.00 C ATOM 1179 C VAL A 80 0.792 -0.217 -5.030 1.00 0.00 C ATOM 1180 O VAL A 80 0.367 0.474 -5.956 1.00 0.00 O ATOM 1181 CB VAL A 80 2.735 0.808 -3.843 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.819 0.901 -2.632 1.00 0.00 C ATOM 1183 CG2 VAL A 80 4.182 0.615 -3.415 1.00 0.00 C ATOM 0 H VAL A 80 3.093 0.575 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 80 2.495 -1.291 -4.282 1.00 0.00 H new ATOM 0 HB VAL A 80 2.665 1.746 -4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.149 1.716 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.797 1.090 -2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.854 -0.036 -2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.480 1.434 -2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.281 -0.331 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.824 0.603 -4.296 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.002 -0.891 -4.205 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.453 -0.859 -4.345 1.00 0.00 C ATOM 1195 C ARG A 81 -2.134 -1.263 -3.041 1.00 0.00 C ATOM 1196 O ARG A 81 -1.759 -2.253 -2.413 1.00 0.00 O ATOM 1197 CB ARG A 81 -1.898 -1.789 -5.476 1.00 0.00 C ATOM 1198 CG ARG A 81 -2.186 -3.209 -5.018 1.00 0.00 C ATOM 1199 CD ARG A 81 -2.597 -4.097 -6.183 1.00 0.00 C ATOM 1200 NE ARG A 81 -2.814 -5.480 -5.766 1.00 0.00 N ATOM 1201 CZ ARG A 81 -3.336 -6.412 -6.556 1.00 0.00 C ATOM 1202 NH1 ARG A 81 -3.691 -6.110 -7.797 1.00 0.00 N ATOM 1203 NH2 ARG A 81 -3.503 -7.648 -6.105 1.00 0.00 N ATOM 0 H ARG A 81 0.335 -1.466 -3.433 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.748 0.162 -4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.793 -1.378 -5.942 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.123 -1.813 -6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.300 -3.624 -4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.979 -3.198 -4.270 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.510 -3.706 -6.632 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.825 -4.067 -6.952 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.550 -5.745 -4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.564 -5.161 -8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.092 -6.827 -8.402 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.231 -7.884 -5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.904 -8.363 -6.712 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.138 -0.490 -2.640 1.00 0.00 N ATOM 1218 CA VAL A 82 -3.873 -0.768 -1.411 1.00 0.00 C ATOM 1219 C VAL A 82 -5.370 -0.876 -1.678 1.00 0.00 C ATOM 1220 O VAL A 82 -5.913 -0.171 -2.529 1.00 0.00 O ATOM 1221 CB VAL A 82 -3.629 0.324 -0.352 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.320 0.075 0.381 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -3.633 1.702 -0.998 1.00 0.00 C ATOM 0 H VAL A 82 -3.461 0.333 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.505 -1.721 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.439 0.286 0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.165 0.857 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.359 -0.895 0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.496 0.085 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.459 2.462 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.844 1.754 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.598 1.878 -1.473 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.033 -1.764 -0.946 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.469 -1.965 -1.101 1.00 0.00 C ATOM 1235 C LYS A 83 -8.162 -2.009 0.257 1.00 0.00 C ATOM 1236 O LYS A 83 -7.508 -1.985 1.299 1.00 0.00 O ATOM 1237 CB LYS A 83 -7.743 -3.261 -1.867 1.00 0.00 C ATOM 1238 CG LYS A 83 -7.226 -4.505 -1.165 1.00 0.00 C ATOM 1239 CD LYS A 83 -7.709 -5.773 -1.848 1.00 0.00 C ATOM 1240 CE LYS A 83 -6.738 -6.230 -2.926 1.00 0.00 C ATOM 1241 NZ LYS A 83 -7.037 -5.603 -4.244 1.00 0.00 N ATOM 0 H LYS A 83 -5.599 -2.357 -0.239 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.870 -1.124 -1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.817 -3.361 -2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.284 -3.194 -2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.136 -4.490 -1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.557 -4.502 -0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.830 -6.563 -1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.690 -5.598 -2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.720 -5.980 -2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.785 -7.315 -3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.165 -5.548 -4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.741 -6.177 -4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.414 -4.645 -4.095 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.489 -2.075 0.237 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.270 -2.126 1.467 1.00 0.00 C ATOM 1257 C ALA A 84 -11.048 -3.434 1.570 1.00 0.00 C ATOM 1258 O ALA A 84 -11.720 -3.844 0.623 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.219 -0.939 1.539 1.00 0.00 C ATOM 0 H ALA A 84 -10.046 -2.094 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.579 -2.077 2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -11.796 -0.990 2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.645 -0.013 1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.897 -0.963 0.686 1.00 0.00 H new ATOM 1265 N VAL A 85 -10.951 -4.085 2.724 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.646 -5.347 2.951 1.00 0.00 C ATOM 1267 C VAL A 85 -12.651 -5.224 4.091 1.00 0.00 C ATOM 1268 O VAL A 85 -12.318 -4.750 5.176 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.657 -6.482 3.273 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -11.405 -7.743 3.678 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -9.748 -6.750 2.083 1.00 0.00 C ATOM 0 H VAL A 85 -10.398 -3.760 3.517 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.175 -5.587 2.029 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.035 -6.172 4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.690 -8.534 3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.009 -7.539 4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.053 -8.060 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.055 -7.555 2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.351 -7.040 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.185 -5.847 1.844 1.00 0.00 H new ATOM 1281 N ASN A 86 -13.882 -5.655 3.836 1.00 0.00 N ATOM 1282 CA ASN A 86 -14.937 -5.593 4.842 1.00 0.00 C ATOM 1283 C ASN A 86 -15.881 -6.785 4.714 1.00 0.00 C ATOM 1284 O ASN A 86 -15.713 -7.630 3.836 1.00 0.00 O ATOM 1285 CB ASN A 86 -15.724 -4.288 4.706 1.00 0.00 C ATOM 1286 CG ASN A 86 -16.034 -3.947 3.262 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -17.142 -4.183 2.781 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -15.053 -3.389 2.562 1.00 0.00 N ATOM 0 H ASN A 86 -14.174 -6.051 2.942 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.469 -5.626 5.826 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.656 -4.369 5.265 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -15.153 -3.475 5.154 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.203 -3.138 1.585 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.150 -3.211 3.002 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.873 -6.843 5.596 1.00 0.00 N ATOM 1296 CA ALA A 87 -17.846 -7.929 5.580 1.00 0.00 C ATOM 1297 C ALA A 87 -18.408 -8.143 4.179 1.00 0.00 C ATOM 1298 O ALA A 87 -18.413 -9.261 3.666 1.00 0.00 O ATOM 1299 CB ALA A 87 -18.971 -7.645 6.564 1.00 0.00 C ATOM 0 H ALA A 87 -17.024 -6.151 6.330 1.00 0.00 H new ATOM 0 HA ALA A 87 -17.336 -8.844 5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -19.690 -8.464 6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -18.560 -7.551 7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -19.470 -6.716 6.288 1.00 0.00 H new ATOM 1305 N ALA A 88 -18.880 -7.063 3.565 1.00 0.00 N ATOM 1306 CA ALA A 88 -19.443 -7.132 2.222 1.00 0.00 C ATOM 1307 C ALA A 88 -18.533 -7.920 1.286 1.00 0.00 C ATOM 1308 O ALA A 88 -18.974 -8.853 0.616 1.00 0.00 O ATOM 1309 CB ALA A 88 -19.681 -5.732 1.677 1.00 0.00 C ATOM 0 H ALA A 88 -18.884 -6.130 3.976 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.398 -7.653 2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.102 -5.799 0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.377 -5.202 2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.736 -5.191 1.639 1.00 0.00 H new ATOM 1315 N GLY A 89 -17.261 -7.536 1.243 1.00 0.00 N ATOM 1316 CA GLY A 89 -16.309 -8.217 0.384 1.00 0.00 C ATOM 1317 C GLY A 89 -14.983 -7.488 0.297 1.00 0.00 C ATOM 1318 O GLY A 89 -14.397 -7.128 1.317 1.00 0.00 O ATOM 0 H GLY A 89 -16.873 -6.766 1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.141 -9.226 0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -16.732 -8.316 -0.616 1.00 0.00 H new ATOM 1322 N ALA A 90 -14.508 -7.272 -0.926 1.00 0.00 N ATOM 1323 CA ALA A 90 -13.243 -6.582 -1.142 1.00 0.00 C ATOM 1324 C ALA A 90 -13.370 -5.535 -2.244 1.00 0.00 C ATOM 1325 O ALA A 90 -14.083 -5.738 -3.227 1.00 0.00 O ATOM 1326 CB ALA A 90 -12.148 -7.581 -1.485 1.00 0.00 C ATOM 0 H ALA A 90 -14.980 -7.565 -1.781 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.975 -6.069 -0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.209 -7.051 -1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.031 -8.289 -0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.418 -8.120 -2.393 1.00 0.00 H new ATOM 1332 N SER A 91 -12.674 -4.416 -2.074 1.00 0.00 N ATOM 1333 CA SER A 91 -12.713 -3.335 -3.053 1.00 0.00 C ATOM 1334 C SER A 91 -11.467 -3.355 -3.934 1.00 0.00 C ATOM 1335 O SER A 91 -10.408 -3.822 -3.517 1.00 0.00 O ATOM 1336 CB SER A 91 -12.831 -1.983 -2.347 1.00 0.00 C ATOM 1337 OG SER A 91 -13.463 -1.026 -3.180 1.00 0.00 O ATOM 0 H SER A 91 -12.076 -4.234 -1.268 1.00 0.00 H new ATOM 0 HA SER A 91 -13.587 -3.483 -3.687 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.400 -2.099 -1.425 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.839 -1.628 -2.067 1.00 0.00 H new ATOM 0 HG SER A 91 -12.937 -0.906 -3.998 1.00 0.00 H new ATOM 1343 N GLU A 92 -11.605 -2.845 -5.153 1.00 0.00 N ATOM 1344 CA GLU A 92 -10.491 -2.804 -6.094 1.00 0.00 C ATOM 1345 C GLU A 92 -9.309 -2.039 -5.505 1.00 0.00 C ATOM 1346 O GLU A 92 -9.471 -1.034 -4.812 1.00 0.00 O ATOM 1347 CB GLU A 92 -10.928 -2.157 -7.409 1.00 0.00 C ATOM 1348 CG GLU A 92 -10.943 -0.638 -7.364 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.150 -0.016 -8.731 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -10.655 -0.590 -9.724 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -11.805 1.044 -8.809 1.00 0.00 O ATOM 0 H GLU A 92 -12.476 -2.455 -5.513 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.177 -3.829 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.258 -2.482 -8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.925 -2.514 -7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.736 -0.306 -6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.002 -0.281 -6.945 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.091 -2.524 -5.786 1.00 0.00 N ATOM 1359 CA PRO A 93 -6.858 -1.902 -5.295 1.00 0.00 C ATOM 1360 C PRO A 93 -6.583 -0.557 -5.959 1.00 0.00 C ATOM 1361 O PRO A 93 -6.938 -0.341 -7.118 1.00 0.00 O ATOM 1362 CB PRO A 93 -5.775 -2.916 -5.671 1.00 0.00 C ATOM 1363 CG PRO A 93 -6.338 -3.659 -6.833 1.00 0.00 C ATOM 1364 CD PRO A 93 -7.823 -3.718 -6.606 1.00 0.00 C ATOM 0 HA PRO A 93 -6.907 -1.687 -4.228 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -4.841 -2.419 -5.934 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.556 -3.587 -4.841 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.106 -3.152 -7.770 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.913 -4.661 -6.899 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.374 -3.692 -7.546 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.115 -4.633 -6.091 1.00 0.00 H new ATOM 1372 N LYS A 94 -5.948 0.344 -5.218 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.623 1.668 -5.735 1.00 0.00 C ATOM 1374 C LYS A 94 -4.231 1.683 -6.358 1.00 0.00 C ATOM 1375 O LYS A 94 -3.227 1.528 -5.662 1.00 0.00 O ATOM 1376 CB LYS A 94 -5.703 2.709 -4.616 1.00 0.00 C ATOM 1377 CG LYS A 94 -5.088 4.048 -4.985 1.00 0.00 C ATOM 1378 CD LYS A 94 -5.996 4.844 -5.907 1.00 0.00 C ATOM 1379 CE LYS A 94 -7.033 5.633 -5.123 1.00 0.00 C ATOM 1380 NZ LYS A 94 -8.288 5.827 -5.901 1.00 0.00 N ATOM 0 H LYS A 94 -5.648 0.182 -4.257 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.350 1.917 -6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.748 2.861 -4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.199 2.319 -3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.894 4.622 -4.079 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.126 3.886 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.397 5.527 -6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.498 4.167 -6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.259 5.111 -4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.621 6.605 -4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.969 6.369 -5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.077 6.347 -6.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.696 4.900 -6.139 1.00 0.00 H new ATOM 1394 N TYR A 95 -4.178 1.871 -7.672 1.00 0.00 N ATOM 1395 CA TYR A 95 -2.908 1.904 -8.389 1.00 0.00 C ATOM 1396 C TYR A 95 -2.371 3.329 -8.479 1.00 0.00 C ATOM 1397 O TYR A 95 -3.021 4.216 -9.033 1.00 0.00 O ATOM 1398 CB TYR A 95 -3.076 1.320 -9.792 1.00 0.00 C ATOM 1399 CG TYR A 95 -3.529 -0.122 -9.798 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -4.859 -0.454 -9.570 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -2.628 -1.153 -10.033 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -5.277 -1.770 -9.574 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -3.037 -2.472 -10.040 1.00 0.00 C ATOM 1404 CZ TYR A 95 -4.363 -2.776 -9.810 1.00 0.00 C ATOM 1405 OH TYR A 95 -4.776 -4.089 -9.816 1.00 0.00 O ATOM 0 H TYR A 95 -4.999 2.003 -8.262 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.190 1.299 -7.835 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.799 1.921 -10.342 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.128 1.396 -10.324 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.578 0.331 -9.387 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -1.589 -0.919 -10.213 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.314 -2.011 -9.393 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.323 -3.261 -10.224 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.084 -4.648 -10.227 1.00 0.00 H new ATOM 1415 N TYR A 96 -1.180 3.541 -7.930 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.554 4.858 -7.946 1.00 0.00 C ATOM 1417 C TYR A 96 -0.159 5.256 -9.365 1.00 0.00 C ATOM 1418 O TYR A 96 -0.145 4.426 -10.274 1.00 0.00 O ATOM 1419 CB TYR A 96 0.677 4.872 -7.039 1.00 0.00 C ATOM 1420 CG TYR A 96 1.137 6.263 -6.665 1.00 0.00 C ATOM 1421 CD1 TYR A 96 0.591 6.927 -5.574 1.00 0.00 C ATOM 1422 CD2 TYR A 96 2.118 6.913 -7.403 1.00 0.00 C ATOM 1423 CE1 TYR A 96 1.008 8.198 -5.228 1.00 0.00 C ATOM 1424 CE2 TYR A 96 2.543 8.183 -7.065 1.00 0.00 C ATOM 1425 CZ TYR A 96 1.985 8.821 -5.977 1.00 0.00 C ATOM 1426 OH TYR A 96 2.404 10.087 -5.637 1.00 0.00 O ATOM 0 H TYR A 96 -0.629 2.818 -7.468 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.279 5.581 -7.574 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.454 4.315 -6.129 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.493 4.351 -7.540 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.173 6.441 -4.986 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.556 6.417 -8.256 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.572 8.700 -4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.308 8.673 -7.649 1.00 0.00 H new ATOM 0 HH TYR A 96 3.097 10.382 -6.264 1.00 0.00 H new ATOM 1436 N SER A 97 0.163 6.533 -9.546 1.00 0.00 N ATOM 1437 CA SER A 97 0.556 7.043 -10.854 1.00 0.00 C ATOM 1438 C SER A 97 1.838 6.372 -11.337 1.00 0.00 C ATOM 1439 O SER A 97 1.809 5.521 -12.226 1.00 0.00 O ATOM 1440 CB SER A 97 0.752 8.560 -10.796 1.00 0.00 C ATOM 1441 OG SER A 97 1.717 8.911 -9.819 1.00 0.00 O ATOM 0 H SER A 97 0.159 7.233 -8.804 1.00 0.00 H new ATOM 0 HA SER A 97 -0.242 6.813 -11.560 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.068 8.927 -11.773 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.197 9.044 -10.565 1.00 0.00 H new ATOM 0 HG SER A 97 1.626 8.320 -9.042 1.00 0.00 H new ATOM 1447 N GLN A 98 2.962 6.761 -10.744 1.00 0.00 N ATOM 1448 CA GLN A 98 4.255 6.198 -11.113 1.00 0.00 C ATOM 1449 C GLN A 98 4.748 5.222 -10.050 1.00 0.00 C ATOM 1450 O GLN A 98 4.316 5.252 -8.897 1.00 0.00 O ATOM 1451 CB GLN A 98 5.283 7.313 -11.313 1.00 0.00 C ATOM 1452 CG GLN A 98 5.292 7.886 -12.721 1.00 0.00 C ATOM 1453 CD GLN A 98 6.332 8.974 -12.902 1.00 0.00 C ATOM 1454 OE1 GLN A 98 7.507 8.786 -12.584 1.00 0.00 O ATOM 1455 NE2 GLN A 98 5.905 10.122 -13.414 1.00 0.00 N ATOM 0 H GLN A 98 3.003 7.464 -10.006 1.00 0.00 H new ATOM 0 HA GLN A 98 4.131 5.655 -12.050 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.079 8.116 -10.604 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.275 6.927 -11.080 1.00 0.00 H new ATOM 0 HG2 GLN A 98 5.483 7.084 -13.434 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.306 8.289 -12.951 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.923 10.235 -13.664 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.559 10.891 -13.558 1.00 0.00 H new ATOM 1464 N PRO A 99 5.673 4.334 -10.443 1.00 0.00 N ATOM 1465 CA PRO A 99 6.244 3.332 -9.539 1.00 0.00 C ATOM 1466 C PRO A 99 7.150 3.954 -8.481 1.00 0.00 C ATOM 1467 O PRO A 99 7.808 4.964 -8.732 1.00 0.00 O ATOM 1468 CB PRO A 99 7.055 2.431 -10.474 1.00 0.00 C ATOM 1469 CG PRO A 99 7.393 3.298 -11.636 1.00 0.00 C ATOM 1470 CD PRO A 99 6.233 4.240 -11.802 1.00 0.00 C ATOM 0 HA PRO A 99 5.473 2.804 -8.978 1.00 0.00 H new ATOM 0 HB2 PRO A 99 7.954 2.058 -9.983 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.477 1.560 -10.784 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.318 3.846 -11.458 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.544 2.702 -12.536 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.555 5.213 -12.172 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.501 3.855 -12.512 1.00 0.00 H new ATOM 1478 N ILE A 100 7.178 3.346 -7.300 1.00 0.00 N ATOM 1479 CA ILE A 100 8.004 3.841 -6.206 1.00 0.00 C ATOM 1480 C ILE A 100 9.404 3.239 -6.259 1.00 0.00 C ATOM 1481 O ILE A 100 9.565 2.022 -6.361 1.00 0.00 O ATOM 1482 CB ILE A 100 7.373 3.525 -4.837 1.00 0.00 C ATOM 1483 CG1 ILE A 100 6.004 4.197 -4.716 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.293 3.978 -3.713 1.00 0.00 C ATOM 1485 CD1 ILE A 100 4.862 3.333 -5.204 1.00 0.00 C ATOM 0 H ILE A 100 6.638 2.510 -7.076 1.00 0.00 H new ATOM 0 HA ILE A 100 8.071 4.922 -6.325 1.00 0.00 H new ATOM 0 HB ILE A 100 7.236 2.447 -4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.829 4.462 -3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.013 5.127 -5.284 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.834 3.748 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.248 3.458 -3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.458 5.053 -3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.922 3.873 -5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.014 3.089 -6.256 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.826 2.413 -4.620 1.00 0.00 H new ATOM 1497 N LEU A 101 10.414 4.098 -6.188 1.00 0.00 N ATOM 1498 CA LEU A 101 11.803 3.651 -6.226 1.00 0.00 C ATOM 1499 C LEU A 101 12.393 3.590 -4.821 1.00 0.00 C ATOM 1500 O LEU A 101 12.619 4.620 -4.185 1.00 0.00 O ATOM 1501 CB LEU A 101 12.637 4.588 -7.101 1.00 0.00 C ATOM 1502 CG LEU A 101 13.969 4.029 -7.603 1.00 0.00 C ATOM 1503 CD1 LEU A 101 14.562 3.068 -6.585 1.00 0.00 C ATOM 1504 CD2 LEU A 101 13.785 3.339 -8.947 1.00 0.00 C ATOM 0 H LEU A 101 10.298 5.108 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 101 11.825 2.649 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.038 4.875 -7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.838 5.498 -6.536 1.00 0.00 H new ATOM 0 HG LEU A 101 14.663 4.859 -7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.509 2.680 -6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.731 3.593 -5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.871 2.241 -6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 101 14.743 2.947 -9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 101 13.075 2.519 -8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 101 13.405 4.056 -9.675 1.00 0.00 H new ATOM 1516 N VAL A 102 12.644 2.375 -4.342 1.00 0.00 N ATOM 1517 CA VAL A 102 13.212 2.179 -3.014 1.00 0.00 C ATOM 1518 C VAL A 102 14.567 2.866 -2.888 1.00 0.00 C ATOM 1519 O VAL A 102 15.613 2.233 -3.035 1.00 0.00 O ATOM 1520 CB VAL A 102 13.375 0.682 -2.689 1.00 0.00 C ATOM 1521 CG1 VAL A 102 14.221 -0.005 -3.749 1.00 0.00 C ATOM 1522 CG2 VAL A 102 13.986 0.501 -1.307 1.00 0.00 C ATOM 0 H VAL A 102 12.463 1.512 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 102 12.516 2.624 -2.303 1.00 0.00 H new ATOM 0 HB VAL A 102 12.389 0.218 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.325 -1.062 -3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.738 0.095 -4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.207 0.458 -3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.094 -0.562 -1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 102 14.965 0.979 -1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.337 0.957 -0.560 1.00 0.00 H new ATOM 1532 N LYS A 103 14.541 4.166 -2.615 1.00 0.00 N ATOM 1533 CA LYS A 103 15.767 4.942 -2.467 1.00 0.00 C ATOM 1534 C LYS A 103 15.616 5.997 -1.377 1.00 0.00 C ATOM 1535 O LYS A 103 14.532 6.546 -1.179 1.00 0.00 O ATOM 1536 CB LYS A 103 16.134 5.612 -3.793 1.00 0.00 C ATOM 1537 CG LYS A 103 17.600 5.997 -3.895 1.00 0.00 C ATOM 1538 CD LYS A 103 18.436 4.866 -4.470 1.00 0.00 C ATOM 1539 CE LYS A 103 19.894 5.271 -4.618 1.00 0.00 C ATOM 1540 NZ LYS A 103 20.523 5.572 -3.302 1.00 0.00 N ATOM 0 H LYS A 103 13.684 4.705 -2.492 1.00 0.00 H new ATOM 0 HA LYS A 103 16.566 4.259 -2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 103 15.887 4.937 -4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.523 6.505 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.702 6.882 -4.524 1.00 0.00 H new ATOM 0 HG3 LYS A 103 17.977 6.263 -2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.364 3.993 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.037 4.575 -5.442 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.445 4.469 -5.109 1.00 0.00 H new ATOM 0 HE3 LYS A 103 19.964 6.147 -5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 21.552 5.661 -3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 20.139 6.464 -2.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 20.317 4.801 -2.635 1.00 0.00 H new ATOM 1554 N GLU A 104 16.709 6.278 -0.674 1.00 0.00 N ATOM 1555 CA GLU A 104 16.695 7.269 0.395 1.00 0.00 C ATOM 1556 C GLU A 104 16.787 8.682 -0.172 1.00 0.00 C ATOM 1557 O GLU A 104 17.396 8.905 -1.218 1.00 0.00 O ATOM 1558 CB GLU A 104 17.853 7.020 1.365 1.00 0.00 C ATOM 1559 CG GLU A 104 17.868 7.971 2.550 1.00 0.00 C ATOM 1560 CD GLU A 104 19.017 7.699 3.501 1.00 0.00 C ATOM 1561 OE1 GLU A 104 20.180 7.930 3.108 1.00 0.00 O ATOM 1562 OE2 GLU A 104 18.754 7.256 4.639 1.00 0.00 O ATOM 0 H GLU A 104 17.614 5.834 -0.826 1.00 0.00 H new ATOM 0 HA GLU A 104 15.752 7.173 0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 104 17.794 5.996 1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 104 18.795 7.111 0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.936 8.997 2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.926 7.886 3.091 1.00 0.00 H new