USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 658 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 8 CYS SG : rot 150:sc= -4.97 USER MOD Set 1.2: A 10 HIS : no HD1:sc= -3.39! C(o=-23!,f=-26!) USER MOD Set 1.3: A 71 ASN :FLIP amide:sc= -4.67! C(o=-25!,f=-23!) USER MOD Set 1.4: A 83 CYS SG : rot -158:sc= -3.47 USER MOD Set 1.5: A 86 CYS SG : rot 131:sc= -6.25! USER MOD Set 2.1: A 75 ASN :FLIP amide:sc= -1.8 F(o=-19!,f=-7.4) USER MOD Set 2.2: A 77 THR OG1 : rot 87:sc= -5.64! USER MOD Set 3.1: A 43 CYS SG : rot 135:sc= 0.3 USER MOD Set 3.2: A 45 GLN :FLIP amide:sc= -7.85! C(o=-20!,f=-19!) USER MOD Set 3.3: A 48 CYS SG : rot -144:sc= 0.0349 USER MOD Set 3.4: A 64 HIS : no HE2:sc= -2.76 K(o=-19,f=-21) USER MOD Set 3.5: A 70 HIS :FLIP no HD1:sc= -8.42! C(o=-20!,f=-19!) USER MOD Set 4.1: A 30 CYS SG : rot -153:sc= -1.66! USER MOD Set 4.2: A 33 CYS SG : rot -146:sc= 0.251 USER MOD Set 4.3: A 53 CYS SG : rot -114:sc= 1.56 USER MOD Set 4.4: A 60 HIS :FLIP no HD1:sc= -1.83 F(o=-3.9!,f=-1.7) USER MOD Set 5.1: A 31 GLN : amide:sc= -4.58! C(o=-4.3!,f=-7.8!) USER MOD Set 5.2: A 32 SER OG : rot 121:sc= 0.244 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= -3.69! (180deg=-3.92!) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= -1.35! (180deg=-1.43!) USER MOD Single : A 26 SER OG : rot -52:sc= -0.894 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 36 THR OG1 : rot 76:sc= -0.744! USER MOD Single : A 39 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.95) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -140:sc= -1.14 USER MOD Single : A 61 SER OG : rot 148:sc= -0.315! USER MOD Single : A 62 THR OG1 : rot -82:sc= -2.07! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 68 LYS NZ :NH3+ 140:sc= -0.01 (180deg=-0.479) USER MOD Single : A 69 LYS NZ :NH3+ -150:sc= 0.983 (180deg=-0.347!) USER MOD Single : A 73 THR OG1 : rot 170:sc= 0.329! USER MOD Single : A 78 THR OG1 : rot -140:sc= -0.103 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.584 X(o=-0.58,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 72 N ASP A 6 12.649 6.885 4.586 1.00 0.00 N ATOM 73 CA ASP A 6 11.219 6.624 4.260 1.00 0.00 C ATOM 74 C ASP A 6 11.131 5.382 3.368 1.00 0.00 C ATOM 75 O ASP A 6 10.156 4.657 3.389 1.00 0.00 O ATOM 76 CB ASP A 6 10.642 7.839 3.520 1.00 0.00 C ATOM 77 CG ASP A 6 9.260 8.182 4.081 1.00 0.00 C ATOM 78 OD1 ASP A 6 8.920 9.353 4.093 1.00 0.00 O ATOM 79 OD2 ASP A 6 8.567 7.266 4.493 1.00 0.00 O ATOM 0 HA ASP A 6 10.650 6.456 5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.310 8.693 3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.569 7.625 2.454 1.00 0.00 H new ATOM 84 N LEU A 7 12.145 5.136 2.586 1.00 0.00 N ATOM 85 CA LEU A 7 12.129 3.946 1.690 1.00 0.00 C ATOM 86 C LEU A 7 12.140 2.667 2.538 1.00 0.00 C ATOM 87 O LEU A 7 12.518 2.680 3.693 1.00 0.00 O ATOM 88 CB LEU A 7 13.350 4.010 0.739 1.00 0.00 C ATOM 89 CG LEU A 7 14.548 3.168 1.244 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.841 3.449 2.729 1.00 0.00 C ATOM 91 CD2 LEU A 7 14.279 1.666 1.030 1.00 0.00 C ATOM 0 H LEU A 7 12.987 5.710 2.529 1.00 0.00 H new ATOM 0 HA LEU A 7 11.223 3.938 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.054 3.657 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.663 5.048 0.626 1.00 0.00 H new ATOM 0 HG LEU A 7 15.426 3.456 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.687 2.843 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.079 4.505 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.964 3.198 3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.131 1.089 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.384 1.375 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 7 14.131 1.471 -0.032 1.00 0.00 H new ATOM 103 N CYS A 8 11.724 1.562 1.971 1.00 0.00 N ATOM 104 CA CYS A 8 11.709 0.272 2.730 1.00 0.00 C ATOM 105 C CYS A 8 12.426 -0.794 1.892 1.00 0.00 C ATOM 106 O CYS A 8 12.567 -0.660 0.695 1.00 0.00 O ATOM 107 CB CYS A 8 10.254 -0.162 3.020 1.00 0.00 C ATOM 108 SG CYS A 8 9.958 -1.840 2.376 1.00 0.00 S ATOM 0 H CYS A 8 11.392 1.497 1.009 1.00 0.00 H new ATOM 0 HA CYS A 8 12.220 0.398 3.684 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.067 -0.138 4.094 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.559 0.540 2.560 1.00 0.00 H new ATOM 0 HG CYS A 8 9.073 -2.439 3.116 1.00 0.00 H new ATOM 113 N PRO A 9 12.880 -1.843 2.519 1.00 0.00 N ATOM 114 CA PRO A 9 13.601 -2.957 1.825 1.00 0.00 C ATOM 115 C PRO A 9 12.763 -3.542 0.687 1.00 0.00 C ATOM 116 O PRO A 9 13.182 -3.603 -0.452 1.00 0.00 O ATOM 117 CB PRO A 9 13.795 -4.005 2.935 1.00 0.00 C ATOM 118 CG PRO A 9 12.811 -3.627 3.991 1.00 0.00 C ATOM 119 CD PRO A 9 12.750 -2.109 3.953 1.00 0.00 C ATOM 0 HA PRO A 9 14.535 -2.627 1.369 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.610 -5.013 2.564 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.815 -3.989 3.320 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.833 -4.066 3.793 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.128 -3.984 4.971 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.813 -1.727 4.357 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.555 -1.652 4.529 1.00 0.00 H new ATOM 127 N HIS A 10 11.575 -3.964 1.003 1.00 0.00 N ATOM 128 CA HIS A 10 10.673 -4.549 -0.033 1.00 0.00 C ATOM 129 C HIS A 10 10.075 -3.419 -0.867 1.00 0.00 C ATOM 130 O HIS A 10 9.271 -3.637 -1.750 1.00 0.00 O ATOM 131 CB HIS A 10 9.549 -5.345 0.652 1.00 0.00 C ATOM 132 CG HIS A 10 10.082 -5.983 1.905 1.00 0.00 C ATOM 133 ND1 HIS A 10 10.067 -5.339 3.143 1.00 0.00 N ATOM 134 CD2 HIS A 10 10.651 -7.212 2.124 1.00 0.00 C ATOM 135 CE1 HIS A 10 10.615 -6.190 4.034 1.00 0.00 C ATOM 136 NE2 HIS A 10 10.984 -7.337 3.465 1.00 0.00 N ATOM 0 H HIS A 10 11.182 -3.930 1.944 1.00 0.00 H new ATOM 0 HA HIS A 10 11.239 -5.220 -0.680 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.716 -4.685 0.893 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.165 -6.109 -0.024 1.00 0.00 H new ATOM 0 HD2 HIS A 10 10.815 -7.966 1.369 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.740 -5.968 5.084 1.00 0.00 H new ATOM 0 HE2 HIS A 10 11.420 -8.139 3.920 1.00 0.00 H new ATOM 144 N LEU A 11 10.465 -2.211 -0.584 1.00 0.00 N ATOM 145 CA LEU A 11 9.930 -1.047 -1.341 1.00 0.00 C ATOM 146 C LEU A 11 10.479 -1.057 -2.768 1.00 0.00 C ATOM 147 O LEU A 11 9.813 -0.655 -3.702 1.00 0.00 O ATOM 148 CB LEU A 11 10.355 0.235 -0.624 1.00 0.00 C ATOM 149 CG LEU A 11 9.519 1.431 -1.119 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.976 2.222 0.077 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.393 2.351 -1.982 1.00 0.00 C ATOM 0 H LEU A 11 11.138 -1.977 0.146 1.00 0.00 H new ATOM 0 HA LEU A 11 8.842 -1.101 -1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.229 0.116 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.413 0.425 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 11 8.684 1.057 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.386 3.065 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.347 1.573 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.808 2.590 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.799 3.196 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.232 2.717 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.770 1.795 -2.840 1.00 0.00 H new ATOM 163 N ASP A 12 11.683 -1.517 -2.947 1.00 0.00 N ATOM 164 CA ASP A 12 12.271 -1.555 -4.314 1.00 0.00 C ATOM 165 C ASP A 12 11.790 -2.811 -5.046 1.00 0.00 C ATOM 166 O ASP A 12 11.840 -2.893 -6.256 1.00 0.00 O ATOM 167 CB ASP A 12 13.794 -1.591 -4.204 1.00 0.00 C ATOM 168 CG ASP A 12 14.413 -1.501 -5.601 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.619 -0.392 -6.064 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.666 -2.543 -6.182 1.00 0.00 O ATOM 0 H ASP A 12 12.287 -1.869 -2.205 1.00 0.00 H new ATOM 0 HA ASP A 12 11.959 -0.670 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.144 -0.764 -3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.111 -2.511 -3.713 1.00 0.00 H new ATOM 175 N SER A 13 11.337 -3.797 -4.319 1.00 0.00 N ATOM 176 CA SER A 13 10.869 -5.053 -4.974 1.00 0.00 C ATOM 177 C SER A 13 9.435 -4.884 -5.492 1.00 0.00 C ATOM 178 O SER A 13 8.986 -5.627 -6.342 1.00 0.00 O ATOM 179 CB SER A 13 10.907 -6.196 -3.960 1.00 0.00 C ATOM 180 OG SER A 13 10.743 -7.433 -4.641 1.00 0.00 O ATOM 0 H SER A 13 11.271 -3.787 -3.301 1.00 0.00 H new ATOM 0 HA SER A 13 11.525 -5.278 -5.815 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.854 -6.187 -3.420 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.117 -6.067 -3.220 1.00 0.00 H new ATOM 0 HG SER A 13 10.768 -8.169 -3.994 1.00 0.00 H new ATOM 186 N ILE A 14 8.709 -3.927 -4.985 1.00 0.00 N ATOM 187 CA ILE A 14 7.302 -3.732 -5.450 1.00 0.00 C ATOM 188 C ILE A 14 7.271 -2.852 -6.703 1.00 0.00 C ATOM 189 O ILE A 14 6.286 -2.200 -6.982 1.00 0.00 O ATOM 190 CB ILE A 14 6.510 -3.044 -4.347 1.00 0.00 C ATOM 191 CG1 ILE A 14 7.307 -1.840 -3.841 1.00 0.00 C ATOM 192 CG2 ILE A 14 6.275 -4.027 -3.195 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.371 -0.867 -3.124 1.00 0.00 C ATOM 0 H ILE A 14 9.026 -3.272 -4.270 1.00 0.00 H new ATOM 0 HA ILE A 14 6.867 -4.703 -5.686 1.00 0.00 H new ATOM 0 HB ILE A 14 5.547 -2.712 -4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.093 -2.171 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.797 -1.339 -4.676 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.708 -3.534 -2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.715 -4.888 -3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.235 -4.359 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.942 -0.011 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.601 -0.525 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.901 -1.370 -2.279 1.00 0.00 H new ATOM 205 N GLY A 15 8.337 -2.834 -7.463 1.00 0.00 N ATOM 206 CA GLY A 15 8.373 -1.998 -8.708 1.00 0.00 C ATOM 207 C GLY A 15 7.503 -0.745 -8.539 1.00 0.00 C ATOM 208 O GLY A 15 7.509 -0.108 -7.505 1.00 0.00 O ATOM 0 H GLY A 15 9.189 -3.364 -7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.400 -1.708 -8.929 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.018 -2.583 -9.556 1.00 0.00 H new ATOM 212 N GLU A 16 6.751 -0.394 -9.552 1.00 0.00 N ATOM 213 CA GLU A 16 5.873 0.814 -9.458 1.00 0.00 C ATOM 214 C GLU A 16 4.531 0.514 -10.129 1.00 0.00 C ATOM 215 O GLU A 16 4.399 0.592 -11.335 1.00 0.00 O ATOM 216 CB GLU A 16 6.546 1.996 -10.167 1.00 0.00 C ATOM 217 CG GLU A 16 5.585 3.193 -10.234 1.00 0.00 C ATOM 218 CD GLU A 16 4.974 3.449 -8.854 1.00 0.00 C ATOM 219 OE1 GLU A 16 5.725 3.760 -7.945 1.00 0.00 O ATOM 220 OE2 GLU A 16 3.766 3.330 -8.731 1.00 0.00 O ATOM 0 H GLU A 16 6.707 -0.892 -10.441 1.00 0.00 H new ATOM 0 HA GLU A 16 5.712 1.067 -8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.454 2.279 -9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.844 1.703 -11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.119 4.080 -10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.796 2.997 -10.960 1.00 0.00 H new ATOM 227 N VAL A 17 3.533 0.175 -9.359 1.00 0.00 N ATOM 228 CA VAL A 17 2.201 -0.126 -9.956 1.00 0.00 C ATOM 229 C VAL A 17 1.664 1.140 -10.629 1.00 0.00 C ATOM 230 O VAL A 17 2.268 2.192 -10.555 1.00 0.00 O ATOM 231 CB VAL A 17 1.245 -0.582 -8.849 1.00 0.00 C ATOM 232 CG1 VAL A 17 0.932 0.594 -7.925 1.00 0.00 C ATOM 233 CG2 VAL A 17 -0.058 -1.107 -9.463 1.00 0.00 C ATOM 0 H VAL A 17 3.582 0.094 -8.343 1.00 0.00 H new ATOM 0 HA VAL A 17 2.289 -0.920 -10.698 1.00 0.00 H new ATOM 0 HB VAL A 17 1.719 -1.380 -8.278 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.252 0.268 -7.138 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.856 0.961 -7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.465 1.394 -8.500 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.731 -1.429 -8.668 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.533 -0.315 -10.042 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.162 -1.951 -10.116 1.00 0.00 H new ATOM 243 N THR A 18 0.541 1.054 -11.290 1.00 0.00 N ATOM 244 CA THR A 18 -0.007 2.263 -11.966 1.00 0.00 C ATOM 245 C THR A 18 -0.427 3.287 -10.911 1.00 0.00 C ATOM 246 O THR A 18 -1.140 2.982 -9.979 1.00 0.00 O ATOM 247 CB THR A 18 -1.222 1.861 -12.818 1.00 0.00 C ATOM 248 OG1 THR A 18 -1.557 0.506 -12.549 1.00 0.00 O ATOM 249 CG2 THR A 18 -0.888 2.012 -14.305 1.00 0.00 C ATOM 0 H THR A 18 -0.016 0.206 -11.390 1.00 0.00 H new ATOM 0 HA THR A 18 0.754 2.704 -12.610 1.00 0.00 H new ATOM 0 HB THR A 18 -2.064 2.507 -12.570 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.332 0.247 -13.089 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.753 1.726 -14.903 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.628 3.049 -14.516 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.045 1.369 -14.556 1.00 0.00 H new ATOM 257 N LYS A 19 -0.009 4.509 -11.073 1.00 0.00 N ATOM 258 CA LYS A 19 -0.403 5.565 -10.103 1.00 0.00 C ATOM 259 C LYS A 19 -1.924 5.573 -10.029 1.00 0.00 C ATOM 260 O LYS A 19 -2.511 5.328 -8.996 1.00 0.00 O ATOM 261 CB LYS A 19 0.098 6.921 -10.607 1.00 0.00 C ATOM 262 CG LYS A 19 0.092 6.933 -12.148 1.00 0.00 C ATOM 263 CD LYS A 19 1.527 7.066 -12.680 1.00 0.00 C ATOM 264 CE LYS A 19 2.288 5.753 -12.448 1.00 0.00 C ATOM 265 NZ LYS A 19 1.772 4.712 -13.379 1.00 0.00 N ATOM 0 H LYS A 19 0.590 4.823 -11.837 1.00 0.00 H new ATOM 0 HA LYS A 19 0.026 5.374 -9.119 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.537 7.720 -10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.105 7.109 -10.236 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.360 6.016 -12.525 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.517 7.761 -12.511 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.510 7.305 -13.743 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.037 7.887 -12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.355 5.905 -12.610 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.165 5.426 -11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.238 3.804 -13.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.745 4.610 -13.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.972 4.994 -14.360 1.00 0.00 H new ATOM 279 N GLU A 20 -2.561 5.828 -11.140 1.00 0.00 N ATOM 280 CA GLU A 20 -4.042 5.819 -11.179 1.00 0.00 C ATOM 281 C GLU A 20 -4.526 4.627 -10.362 1.00 0.00 C ATOM 282 O GLU A 20 -5.489 4.706 -9.631 1.00 0.00 O ATOM 283 CB GLU A 20 -4.492 5.698 -12.636 1.00 0.00 C ATOM 284 CG GLU A 20 -5.948 5.201 -12.735 1.00 0.00 C ATOM 285 CD GLU A 20 -5.991 3.868 -13.488 1.00 0.00 C ATOM 286 OE1 GLU A 20 -5.181 3.011 -13.181 1.00 0.00 O ATOM 287 OE2 GLU A 20 -6.832 3.731 -14.361 1.00 0.00 O ATOM 0 H GLU A 20 -2.109 6.044 -12.029 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.458 6.736 -10.761 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.402 6.667 -13.128 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.834 5.009 -13.166 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.369 5.079 -11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.560 5.941 -13.251 1.00 0.00 H new ATOM 294 N ASP A 21 -3.840 3.527 -10.462 1.00 0.00 N ATOM 295 CA ASP A 21 -4.243 2.332 -9.669 1.00 0.00 C ATOM 296 C ASP A 21 -4.461 2.774 -8.223 1.00 0.00 C ATOM 297 O ASP A 21 -5.397 2.365 -7.570 1.00 0.00 O ATOM 298 CB ASP A 21 -3.142 1.264 -9.736 1.00 0.00 C ATOM 299 CG ASP A 21 -3.755 -0.126 -9.548 1.00 0.00 C ATOM 300 OD1 ASP A 21 -3.050 -1.096 -9.767 1.00 0.00 O ATOM 301 OD2 ASP A 21 -4.919 -0.197 -9.186 1.00 0.00 O ATOM 0 H ASP A 21 -3.020 3.401 -11.056 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.160 1.902 -10.071 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.628 1.318 -10.696 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.395 1.450 -8.964 1.00 0.00 H new ATOM 306 N LEU A 22 -3.614 3.633 -7.729 1.00 0.00 N ATOM 307 CA LEU A 22 -3.784 4.130 -6.337 1.00 0.00 C ATOM 308 C LEU A 22 -4.929 5.130 -6.328 1.00 0.00 C ATOM 309 O LEU A 22 -5.566 5.365 -5.322 1.00 0.00 O ATOM 310 CB LEU A 22 -2.503 4.827 -5.869 1.00 0.00 C ATOM 311 CG LEU A 22 -1.470 3.787 -5.437 1.00 0.00 C ATOM 312 CD1 LEU A 22 -1.102 2.904 -6.631 1.00 0.00 C ATOM 313 CD2 LEU A 22 -0.217 4.506 -4.925 1.00 0.00 C ATOM 0 H LEU A 22 -2.811 4.012 -8.230 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.996 3.296 -5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.098 5.441 -6.674 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.726 5.497 -5.038 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.885 3.165 -4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.365 2.163 -6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.995 2.397 -6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.684 3.522 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.524 3.769 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.198 5.125 -5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.480 5.135 -4.075 1.00 0.00 H new ATOM 325 N LEU A 23 -5.189 5.718 -7.453 1.00 0.00 N ATOM 326 CA LEU A 23 -6.286 6.709 -7.548 1.00 0.00 C ATOM 327 C LEU A 23 -7.622 5.966 -7.579 1.00 0.00 C ATOM 328 O LEU A 23 -8.475 6.191 -6.743 1.00 0.00 O ATOM 329 CB LEU A 23 -6.072 7.527 -8.825 1.00 0.00 C ATOM 330 CG LEU A 23 -4.647 8.112 -8.816 1.00 0.00 C ATOM 331 CD1 LEU A 23 -4.488 9.107 -9.978 1.00 0.00 C ATOM 332 CD2 LEU A 23 -4.391 8.841 -7.490 1.00 0.00 C ATOM 0 H LEU A 23 -4.682 5.553 -8.323 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.293 7.382 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.214 6.897 -9.703 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.807 8.329 -8.885 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.930 7.299 -8.928 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.479 9.519 -9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.661 8.593 -10.923 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.211 9.915 -9.866 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.382 9.252 -7.490 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.112 9.650 -7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.497 8.139 -6.663 1.00 0.00 H new ATOM 344 N LEU A 24 -7.816 5.060 -8.502 1.00 0.00 N ATOM 345 CA LEU A 24 -9.100 4.316 -8.504 1.00 0.00 C ATOM 346 C LEU A 24 -9.204 3.562 -7.197 1.00 0.00 C ATOM 347 O LEU A 24 -10.218 3.603 -6.550 1.00 0.00 O ATOM 348 CB LEU A 24 -9.184 3.329 -9.667 1.00 0.00 C ATOM 349 CG LEU A 24 -8.035 2.307 -9.614 1.00 0.00 C ATOM 350 CD1 LEU A 24 -8.533 0.993 -8.999 1.00 0.00 C ATOM 351 CD2 LEU A 24 -7.536 2.030 -11.037 1.00 0.00 C ATOM 0 H LEU A 24 -7.155 4.810 -9.237 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.919 5.026 -8.619 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.140 2.807 -9.636 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.148 3.872 -10.611 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.226 2.711 -9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.714 0.274 -8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.895 1.179 -7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.344 0.591 -9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.722 1.306 -11.003 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.353 1.629 -11.637 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.178 2.957 -11.484 1.00 0.00 H new ATOM 363 N LYS A 25 -8.160 2.894 -6.777 1.00 0.00 N ATOM 364 CA LYS A 25 -8.245 2.175 -5.481 1.00 0.00 C ATOM 365 C LYS A 25 -8.831 3.152 -4.465 1.00 0.00 C ATOM 366 O LYS A 25 -9.795 2.861 -3.787 1.00 0.00 O ATOM 367 CB LYS A 25 -6.852 1.719 -5.050 1.00 0.00 C ATOM 368 CG LYS A 25 -6.507 0.391 -5.738 1.00 0.00 C ATOM 369 CD LYS A 25 -5.161 -0.125 -5.220 1.00 0.00 C ATOM 370 CE LYS A 25 -4.574 -1.129 -6.216 1.00 0.00 C ATOM 371 NZ LYS A 25 -3.578 -1.993 -5.520 1.00 0.00 N ATOM 0 H LYS A 25 -7.270 2.818 -7.269 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.873 1.288 -5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.114 2.477 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.817 1.599 -3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.288 -0.344 -5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.462 0.531 -6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.472 0.707 -5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.292 -0.598 -4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.368 -1.742 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.099 -0.602 -7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.058 -2.557 -6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.910 -1.396 -4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.071 -2.629 -4.861 1.00 0.00 H new ATOM 385 N SER A 26 -8.276 4.333 -4.393 1.00 0.00 N ATOM 386 CA SER A 26 -8.820 5.362 -3.471 1.00 0.00 C ATOM 387 C SER A 26 -10.276 5.645 -3.871 1.00 0.00 C ATOM 388 O SER A 26 -10.877 6.598 -3.417 1.00 0.00 O ATOM 389 CB SER A 26 -8.000 6.651 -3.623 1.00 0.00 C ATOM 390 OG SER A 26 -8.129 7.432 -2.442 1.00 0.00 O ATOM 0 H SER A 26 -7.465 4.627 -4.938 1.00 0.00 H new ATOM 0 HA SER A 26 -8.770 5.014 -2.439 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.952 6.410 -3.801 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.348 7.217 -4.487 1.00 0.00 H new ATOM 0 HG SER A 26 -9.078 7.551 -2.231 1.00 0.00 H new ATOM 396 N LYS A 27 -10.834 4.843 -4.747 1.00 0.00 N ATOM 397 CA LYS A 27 -12.231 5.093 -5.202 1.00 0.00 C ATOM 398 C LYS A 27 -13.144 5.336 -3.997 1.00 0.00 C ATOM 399 O LYS A 27 -13.878 6.303 -3.967 1.00 0.00 O ATOM 400 CB LYS A 27 -12.756 3.913 -6.041 1.00 0.00 C ATOM 401 CG LYS A 27 -12.254 2.569 -5.488 1.00 0.00 C ATOM 402 CD LYS A 27 -13.349 1.510 -5.633 1.00 0.00 C ATOM 403 CE LYS A 27 -13.621 1.271 -7.120 1.00 0.00 C ATOM 404 NZ LYS A 27 -14.664 0.218 -7.273 1.00 0.00 N ATOM 0 H LYS A 27 -10.381 4.030 -5.163 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.231 5.983 -5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.846 3.923 -6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.432 4.027 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.358 2.256 -6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.976 2.677 -4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.040 0.581 -5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.259 1.840 -5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.951 2.196 -7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.704 0.965 -7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.848 0.056 -8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.332 -0.665 -6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.541 0.527 -6.806 1.00 0.00 H new ATOM 418 N GLY A 28 -13.107 4.494 -2.992 1.00 0.00 N ATOM 419 CA GLY A 28 -13.979 4.741 -1.813 1.00 0.00 C ATOM 420 C GLY A 28 -14.502 3.431 -1.239 1.00 0.00 C ATOM 421 O GLY A 28 -15.374 3.434 -0.400 1.00 0.00 O ATOM 0 H GLY A 28 -12.520 3.662 -2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.419 5.280 -1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.816 5.376 -2.102 1.00 0.00 H new ATOM 425 N THR A 29 -14.009 2.306 -1.679 1.00 0.00 N ATOM 426 CA THR A 29 -14.538 1.036 -1.114 1.00 0.00 C ATOM 427 C THR A 29 -13.565 -0.136 -1.337 1.00 0.00 C ATOM 428 O THR A 29 -12.848 -0.192 -2.316 1.00 0.00 O ATOM 429 CB THR A 29 -15.875 0.733 -1.794 1.00 0.00 C ATOM 430 OG1 THR A 29 -16.067 1.638 -2.871 1.00 0.00 O ATOM 431 CG2 THR A 29 -17.027 0.879 -0.795 1.00 0.00 C ATOM 0 H THR A 29 -13.281 2.212 -2.387 1.00 0.00 H new ATOM 0 HA THR A 29 -14.665 1.153 -0.038 1.00 0.00 H new ATOM 0 HB THR A 29 -15.860 -0.291 -2.166 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.922 1.447 -3.311 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.971 0.660 -1.294 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.883 0.182 0.031 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.048 1.899 -0.410 1.00 0.00 H new ATOM 439 N CYS A 30 -13.583 -1.095 -0.442 1.00 0.00 N ATOM 440 CA CYS A 30 -12.717 -2.306 -0.592 1.00 0.00 C ATOM 441 C CYS A 30 -13.141 -3.015 -1.876 1.00 0.00 C ATOM 442 O CYS A 30 -14.307 -3.036 -2.220 1.00 0.00 O ATOM 443 CB CYS A 30 -12.937 -3.251 0.601 1.00 0.00 C ATOM 444 SG CYS A 30 -11.854 -4.700 0.438 1.00 0.00 S ATOM 0 H CYS A 30 -14.167 -1.089 0.394 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.665 -2.022 -0.629 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.726 -2.730 1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.980 -3.566 0.641 1.00 0.00 H new ATOM 0 HG CYS A 30 -12.394 -5.716 1.043 1.00 0.00 H new ATOM 449 N GLN A 31 -12.223 -3.582 -2.601 1.00 0.00 N ATOM 450 CA GLN A 31 -12.616 -4.263 -3.865 1.00 0.00 C ATOM 451 C GLN A 31 -13.234 -5.632 -3.568 1.00 0.00 C ATOM 452 O GLN A 31 -13.916 -6.199 -4.397 1.00 0.00 O ATOM 453 CB GLN A 31 -11.397 -4.438 -4.769 1.00 0.00 C ATOM 454 CG GLN A 31 -10.245 -5.092 -3.996 1.00 0.00 C ATOM 455 CD GLN A 31 -10.485 -6.598 -3.880 1.00 0.00 C ATOM 456 OE1 GLN A 31 -10.216 -7.189 -2.853 1.00 0.00 O ATOM 457 NE2 GLN A 31 -10.978 -7.251 -4.897 1.00 0.00 N ATOM 0 H GLN A 31 -11.228 -3.605 -2.379 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.356 -3.644 -4.372 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.660 -5.053 -5.630 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.080 -3.469 -5.154 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.300 -4.904 -4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.165 -4.650 -3.003 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.204 -6.756 -5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.137 -8.256 -4.829 1.00 0.00 H new ATOM 466 N SER A 32 -13.003 -6.172 -2.400 1.00 0.00 N ATOM 467 CA SER A 32 -13.583 -7.509 -2.069 1.00 0.00 C ATOM 468 C SER A 32 -14.621 -7.371 -0.950 1.00 0.00 C ATOM 469 O SER A 32 -15.336 -8.306 -0.648 1.00 0.00 O ATOM 470 CB SER A 32 -12.467 -8.452 -1.617 1.00 0.00 C ATOM 471 OG SER A 32 -11.761 -8.923 -2.758 1.00 0.00 O ATOM 0 H SER A 32 -12.440 -5.748 -1.663 1.00 0.00 H new ATOM 0 HA SER A 32 -14.069 -7.915 -2.956 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.786 -7.932 -0.943 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.886 -9.291 -1.062 1.00 0.00 H new ATOM 0 HG SER A 32 -10.815 -8.678 -2.682 1.00 0.00 H new ATOM 477 N CYS A 33 -14.710 -6.223 -0.328 1.00 0.00 N ATOM 478 CA CYS A 33 -15.706 -6.048 0.774 1.00 0.00 C ATOM 479 C CYS A 33 -16.584 -4.823 0.510 1.00 0.00 C ATOM 480 O CYS A 33 -17.662 -4.702 1.057 1.00 0.00 O ATOM 481 CB CYS A 33 -14.977 -5.867 2.109 1.00 0.00 C ATOM 482 SG CYS A 33 -13.816 -7.224 2.353 1.00 0.00 S ATOM 0 H CYS A 33 -14.140 -5.403 -0.533 1.00 0.00 H new ATOM 0 HA CYS A 33 -16.336 -6.937 0.816 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.446 -4.915 2.119 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -15.697 -5.839 2.927 1.00 0.00 H new ATOM 0 HG CYS A 33 -13.737 -7.505 3.620 1.00 0.00 H new ATOM 487 N GLY A 34 -16.142 -3.904 -0.305 1.00 0.00 N ATOM 488 CA GLY A 34 -16.980 -2.695 -0.559 1.00 0.00 C ATOM 489 C GLY A 34 -17.366 -2.083 0.789 1.00 0.00 C ATOM 490 O GLY A 34 -18.515 -2.097 1.187 1.00 0.00 O ATOM 0 H GLY A 34 -15.251 -3.935 -0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.429 -1.971 -1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.873 -2.964 -1.123 1.00 0.00 H new ATOM 494 N VAL A 35 -16.400 -1.583 1.508 1.00 0.00 N ATOM 495 CA VAL A 35 -16.672 -1.002 2.857 1.00 0.00 C ATOM 496 C VAL A 35 -16.736 0.531 2.817 1.00 0.00 C ATOM 497 O VAL A 35 -17.670 1.115 3.325 1.00 0.00 O ATOM 498 CB VAL A 35 -15.556 -1.449 3.806 1.00 0.00 C ATOM 499 CG1 VAL A 35 -15.514 -2.980 3.843 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.213 -0.909 3.304 1.00 0.00 C ATOM 0 H VAL A 35 -15.423 -1.551 1.217 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.643 -1.357 3.203 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.746 -1.064 4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.722 -3.306 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.472 -3.362 4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.319 -3.363 2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.418 -1.227 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.016 -1.296 2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.248 0.180 3.272 1.00 0.00 H new ATOM 510 N THR A 36 -15.760 1.195 2.242 1.00 0.00 N ATOM 511 CA THR A 36 -15.795 2.689 2.214 1.00 0.00 C ATOM 512 C THR A 36 -14.409 3.221 1.849 1.00 0.00 C ATOM 513 O THR A 36 -13.508 2.468 1.545 1.00 0.00 O ATOM 514 CB THR A 36 -16.193 3.248 3.588 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.890 4.635 3.632 1.00 0.00 O ATOM 516 CG2 THR A 36 -15.415 2.526 4.694 1.00 0.00 C ATOM 0 H THR A 36 -14.948 0.769 1.795 1.00 0.00 H new ATOM 0 HA THR A 36 -16.531 3.004 1.474 1.00 0.00 H new ATOM 0 HB THR A 36 -17.261 3.094 3.743 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.560 5.133 3.118 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.704 2.929 5.665 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.641 1.460 4.662 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.346 2.675 4.543 1.00 0.00 H new ATOM 524 N GLY A 37 -14.241 4.517 1.863 1.00 0.00 N ATOM 525 CA GLY A 37 -12.923 5.112 1.507 1.00 0.00 C ATOM 526 C GLY A 37 -12.032 5.213 2.743 1.00 0.00 C ATOM 527 O GLY A 37 -11.022 4.548 2.843 1.00 0.00 O ATOM 0 H GLY A 37 -14.966 5.192 2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.434 4.501 0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.069 6.102 1.074 1.00 0.00 H new ATOM 531 N PRO A 38 -12.384 6.049 3.676 1.00 0.00 N ATOM 532 CA PRO A 38 -11.583 6.230 4.906 1.00 0.00 C ATOM 533 C PRO A 38 -11.144 4.898 5.507 1.00 0.00 C ATOM 534 O PRO A 38 -11.933 4.000 5.722 1.00 0.00 O ATOM 535 CB PRO A 38 -12.497 6.986 5.873 1.00 0.00 C ATOM 536 CG PRO A 38 -13.800 7.210 5.154 1.00 0.00 C ATOM 537 CD PRO A 38 -13.566 6.911 3.670 1.00 0.00 C ATOM 0 HA PRO A 38 -10.661 6.773 4.696 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.653 6.412 6.786 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.049 7.935 6.166 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.577 6.561 5.558 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.141 8.237 5.289 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -14.425 6.411 3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.394 7.824 3.099 1.00 0.00 H new ATOM 545 N ASN A 39 -9.882 4.779 5.767 1.00 0.00 N ATOM 546 CA ASN A 39 -9.334 3.523 6.350 1.00 0.00 C ATOM 547 C ASN A 39 -9.225 2.464 5.253 1.00 0.00 C ATOM 548 O ASN A 39 -9.223 1.278 5.520 1.00 0.00 O ATOM 549 CB ASN A 39 -10.255 3.016 7.473 1.00 0.00 C ATOM 550 CG ASN A 39 -9.413 2.418 8.603 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.038 1.263 8.550 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.097 3.160 9.629 1.00 0.00 N ATOM 0 H ASN A 39 -9.190 5.509 5.599 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.347 3.720 6.768 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.863 3.836 7.855 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.941 2.265 7.082 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.535 2.771 10.386 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.412 4.129 9.674 1.00 0.00 H new ATOM 559 N LEU A 40 -9.131 2.880 4.022 1.00 0.00 N ATOM 560 CA LEU A 40 -9.017 1.890 2.916 1.00 0.00 C ATOM 561 C LEU A 40 -7.616 1.276 2.943 1.00 0.00 C ATOM 562 O LEU A 40 -6.806 1.591 3.792 1.00 0.00 O ATOM 563 CB LEU A 40 -9.239 2.584 1.562 1.00 0.00 C ATOM 564 CG LEU A 40 -10.668 2.363 1.057 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.805 2.989 -0.336 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.981 0.860 0.968 1.00 0.00 C ATOM 0 H LEU A 40 -9.128 3.859 3.734 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.771 1.114 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.046 3.652 1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.528 2.198 0.831 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.367 2.827 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.819 2.837 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.596 4.057 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.097 2.518 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.000 0.721 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.284 0.383 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.881 0.408 1.955 1.00 0.00 H new ATOM 578 N TRP A 41 -7.324 0.410 2.015 1.00 0.00 N ATOM 579 CA TRP A 41 -5.976 -0.224 1.980 1.00 0.00 C ATOM 580 C TRP A 41 -5.648 -0.640 0.545 1.00 0.00 C ATOM 581 O TRP A 41 -6.115 -1.652 0.058 1.00 0.00 O ATOM 582 CB TRP A 41 -5.966 -1.455 2.887 1.00 0.00 C ATOM 583 CG TRP A 41 -5.721 -1.035 4.300 1.00 0.00 C ATOM 584 CD1 TRP A 41 -6.662 -0.560 5.144 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.471 -1.046 5.044 1.00 0.00 C ATOM 586 NE1 TRP A 41 -6.068 -0.274 6.361 1.00 0.00 N ATOM 587 CE2 TRP A 41 -4.719 -0.560 6.349 1.00 0.00 C ATOM 588 CE3 TRP A 41 -3.162 -1.427 4.717 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -3.699 -0.456 7.296 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -2.134 -1.326 5.665 1.00 0.00 C ATOM 591 CH2 TRP A 41 -2.401 -0.841 6.953 1.00 0.00 C ATOM 0 H TRP A 41 -7.962 0.112 1.277 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.229 0.488 2.331 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.918 -1.981 2.813 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.191 -2.151 2.564 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.707 -0.425 4.908 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.567 0.102 7.167 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.944 -1.801 3.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.912 -0.081 8.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.130 -1.624 5.401 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.605 -0.765 7.679 1.00 0.00 H new ATOM 602 N ALA A 42 -4.854 0.136 -0.134 1.00 0.00 N ATOM 603 CA ALA A 42 -4.494 -0.199 -1.539 1.00 0.00 C ATOM 604 C ALA A 42 -3.195 -1.008 -1.568 1.00 0.00 C ATOM 605 O ALA A 42 -2.141 -0.506 -1.247 1.00 0.00 O ATOM 606 CB ALA A 42 -4.300 1.102 -2.325 1.00 0.00 C ATOM 0 H ALA A 42 -4.436 0.994 0.226 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.291 -0.792 -1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.036 0.868 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.225 1.678 -2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.501 1.687 -1.869 1.00 0.00 H new ATOM 612 N CYS A 43 -3.249 -2.248 -1.971 1.00 0.00 N ATOM 613 CA CYS A 43 -1.991 -3.042 -2.028 1.00 0.00 C ATOM 614 C CYS A 43 -1.018 -2.305 -2.944 1.00 0.00 C ATOM 615 O CYS A 43 -1.428 -1.572 -3.822 1.00 0.00 O ATOM 616 CB CYS A 43 -2.270 -4.439 -2.580 1.00 0.00 C ATOM 617 SG CYS A 43 -0.906 -5.535 -2.124 1.00 0.00 S ATOM 0 H CYS A 43 -4.096 -2.739 -2.259 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.569 -3.152 -1.029 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.210 -4.821 -2.181 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.376 -4.401 -3.664 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.383 -6.663 -1.687 1.00 0.00 H new ATOM 622 N LEU A 44 0.262 -2.453 -2.736 1.00 0.00 N ATOM 623 CA LEU A 44 1.229 -1.707 -3.592 1.00 0.00 C ATOM 624 C LEU A 44 2.358 -2.608 -4.091 1.00 0.00 C ATOM 625 O LEU A 44 3.501 -2.205 -4.110 1.00 0.00 O ATOM 626 CB LEU A 44 1.821 -0.557 -2.771 1.00 0.00 C ATOM 627 CG LEU A 44 2.531 0.440 -3.702 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.522 1.467 -4.228 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.635 1.173 -2.934 1.00 0.00 C ATOM 0 H LEU A 44 0.677 -3.050 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 44 0.697 -1.329 -4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.031 -0.051 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.526 -0.948 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 44 2.968 -0.107 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.030 2.171 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.736 0.954 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.082 2.007 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.134 1.878 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.197 1.714 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.360 0.450 -2.561 1.00 0.00 H new ATOM 641 N GLN A 45 2.071 -3.808 -4.524 1.00 0.00 N ATOM 642 CA GLN A 45 3.175 -4.662 -5.043 1.00 0.00 C ATOM 643 C GLN A 45 3.342 -4.397 -6.540 1.00 0.00 C ATOM 644 O GLN A 45 2.405 -4.044 -7.228 1.00 0.00 O ATOM 645 CB GLN A 45 2.879 -6.146 -4.820 1.00 0.00 C ATOM 646 CG GLN A 45 2.297 -6.369 -3.417 1.00 0.00 C ATOM 647 CD GLN A 45 3.322 -7.112 -2.553 1.00 0.00 C ATOM 648 OE1 GLN A 45 3.881 -8.198 -3.012 1.00 0.00 O flip ATOM 649 NE2 GLN A 45 3.621 -6.696 -1.451 1.00 0.00 N flip ATOM 0 H GLN A 45 1.140 -4.225 -4.541 1.00 0.00 H new ATOM 0 HA GLN A 45 4.091 -4.414 -4.506 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.176 -6.501 -5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.793 -6.728 -4.939 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.045 -5.412 -2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.374 -6.945 -3.482 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.185 -5.847 -1.091 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.308 -7.196 -0.886 1.00 0.00 H new ATOM 658 N VAL A 46 4.536 -4.550 -7.038 1.00 0.00 N ATOM 659 CA VAL A 46 4.798 -4.295 -8.489 1.00 0.00 C ATOM 660 C VAL A 46 3.645 -4.810 -9.361 1.00 0.00 C ATOM 661 O VAL A 46 3.499 -4.398 -10.495 1.00 0.00 O ATOM 662 CB VAL A 46 6.100 -4.999 -8.902 1.00 0.00 C ATOM 663 CG1 VAL A 46 6.171 -6.381 -8.254 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.149 -5.150 -10.427 1.00 0.00 C ATOM 0 H VAL A 46 5.352 -4.843 -6.500 1.00 0.00 H new ATOM 0 HA VAL A 46 4.886 -3.219 -8.637 1.00 0.00 H new ATOM 0 HB VAL A 46 6.947 -4.399 -8.570 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.096 -6.875 -8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.147 -6.276 -7.169 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.320 -6.979 -8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.074 -5.650 -10.714 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.298 -5.743 -10.761 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.110 -4.165 -10.892 1.00 0.00 H new ATOM 674 N ALA A 47 2.830 -5.710 -8.873 1.00 0.00 N ATOM 675 CA ALA A 47 1.721 -6.216 -9.739 1.00 0.00 C ATOM 676 C ALA A 47 0.550 -6.738 -8.901 1.00 0.00 C ATOM 677 O ALA A 47 0.181 -7.891 -8.997 1.00 0.00 O ATOM 678 CB ALA A 47 2.250 -7.349 -10.620 1.00 0.00 C ATOM 0 H ALA A 47 2.880 -6.109 -7.936 1.00 0.00 H new ATOM 0 HA ALA A 47 1.362 -5.389 -10.351 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.446 -7.723 -11.254 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.061 -6.976 -11.245 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.620 -8.157 -9.990 1.00 0.00 H new ATOM 684 N CYS A 48 -0.054 -5.902 -8.097 1.00 0.00 N ATOM 685 CA CYS A 48 -1.216 -6.367 -7.283 1.00 0.00 C ATOM 686 C CYS A 48 -2.277 -5.268 -7.210 1.00 0.00 C ATOM 687 O CYS A 48 -2.340 -4.526 -6.251 1.00 0.00 O ATOM 688 CB CYS A 48 -0.762 -6.694 -5.867 1.00 0.00 C ATOM 689 SG CYS A 48 -2.111 -7.524 -4.994 1.00 0.00 S ATOM 0 H CYS A 48 0.205 -4.924 -7.969 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.634 -7.256 -7.755 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.120 -7.334 -5.893 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.479 -5.782 -5.342 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.111 -7.157 -3.747 1.00 0.00 H new ATOM 694 N PRO A 49 -3.112 -5.167 -8.208 1.00 0.00 N ATOM 695 CA PRO A 49 -4.188 -4.145 -8.240 1.00 0.00 C ATOM 696 C PRO A 49 -5.441 -4.613 -7.488 1.00 0.00 C ATOM 697 O PRO A 49 -6.234 -5.373 -8.002 1.00 0.00 O ATOM 698 CB PRO A 49 -4.478 -3.999 -9.732 1.00 0.00 C ATOM 699 CG PRO A 49 -4.178 -5.343 -10.322 1.00 0.00 C ATOM 700 CD PRO A 49 -3.126 -6.006 -9.418 1.00 0.00 C ATOM 0 HA PRO A 49 -3.896 -3.213 -7.757 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.516 -3.715 -9.906 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.856 -3.224 -10.180 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.081 -5.952 -10.374 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.803 -5.242 -11.340 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.393 -7.037 -9.185 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.147 -6.031 -9.897 1.00 0.00 H new ATOM 708 N TYR A 50 -5.619 -4.150 -6.279 1.00 0.00 N ATOM 709 CA TYR A 50 -6.811 -4.545 -5.471 1.00 0.00 C ATOM 710 C TYR A 50 -6.791 -3.740 -4.170 1.00 0.00 C ATOM 711 O TYR A 50 -5.798 -3.716 -3.470 1.00 0.00 O ATOM 712 CB TYR A 50 -6.744 -6.042 -5.132 1.00 0.00 C ATOM 713 CG TYR A 50 -7.131 -6.872 -6.336 1.00 0.00 C ATOM 714 CD1 TYR A 50 -8.420 -6.771 -6.877 1.00 0.00 C ATOM 715 CD2 TYR A 50 -6.199 -7.744 -6.912 1.00 0.00 C ATOM 716 CE1 TYR A 50 -8.774 -7.541 -7.991 1.00 0.00 C ATOM 717 CE2 TYR A 50 -6.554 -8.514 -8.027 1.00 0.00 C ATOM 718 CZ TYR A 50 -7.842 -8.412 -8.566 1.00 0.00 C ATOM 719 OH TYR A 50 -8.192 -9.170 -9.665 1.00 0.00 O ATOM 0 H TYR A 50 -4.981 -3.507 -5.811 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.722 -4.349 -6.036 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.736 -6.304 -4.810 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.412 -6.263 -4.300 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.140 -6.099 -6.434 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.205 -7.823 -6.496 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.768 -7.463 -8.407 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.834 -9.186 -8.471 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.429 -9.720 -9.940 1.00 0.00 H new ATOM 729 N VAL A 51 -7.866 -3.075 -3.834 1.00 0.00 N ATOM 730 CA VAL A 51 -7.874 -2.272 -2.574 1.00 0.00 C ATOM 731 C VAL A 51 -8.631 -3.018 -1.480 1.00 0.00 C ATOM 732 O VAL A 51 -9.836 -3.154 -1.515 1.00 0.00 O ATOM 733 CB VAL A 51 -8.524 -0.911 -2.829 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.759 -1.083 -3.719 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.932 -0.269 -1.497 1.00 0.00 C ATOM 0 H VAL A 51 -8.732 -3.053 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.846 -2.118 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.806 -0.264 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.218 -0.110 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.463 -1.524 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.476 -1.737 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.394 0.700 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.643 -0.916 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.049 -0.134 -0.873 1.00 0.00 H new ATOM 745 N GLY A 52 -7.922 -3.498 -0.502 1.00 0.00 N ATOM 746 CA GLY A 52 -8.574 -4.241 0.606 1.00 0.00 C ATOM 747 C GLY A 52 -9.068 -3.272 1.680 1.00 0.00 C ATOM 748 O GLY A 52 -9.024 -2.068 1.519 1.00 0.00 O ATOM 0 H GLY A 52 -6.909 -3.407 -0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.411 -4.822 0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.869 -4.949 1.042 1.00 0.00 H new ATOM 752 N CYS A 53 -9.548 -3.796 2.775 1.00 0.00 N ATOM 753 CA CYS A 53 -10.060 -2.934 3.873 1.00 0.00 C ATOM 754 C CYS A 53 -9.009 -2.775 4.947 1.00 0.00 C ATOM 755 O CYS A 53 -8.004 -3.455 4.988 1.00 0.00 O ATOM 756 CB CYS A 53 -11.246 -3.611 4.579 1.00 0.00 C ATOM 757 SG CYS A 53 -11.227 -5.391 4.247 1.00 0.00 S ATOM 0 H CYS A 53 -9.607 -4.798 2.956 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.340 -1.981 3.424 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.191 -3.432 5.653 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.183 -3.177 4.231 1.00 0.00 H new ATOM 0 HG CYS A 53 -12.270 -5.712 3.541 1.00 0.00 H new ATOM 762 N GLY A 54 -9.316 -1.926 5.867 1.00 0.00 N ATOM 763 CA GLY A 54 -8.458 -1.721 7.048 1.00 0.00 C ATOM 764 C GLY A 54 -9.321 -2.186 8.204 1.00 0.00 C ATOM 765 O GLY A 54 -10.523 -2.242 8.065 1.00 0.00 O ATOM 0 H GLY A 54 -10.155 -1.346 5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.536 -2.299 6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.171 -0.675 7.158 1.00 0.00 H new ATOM 769 N GLU A 55 -8.762 -2.546 9.319 1.00 0.00 N ATOM 770 CA GLU A 55 -9.625 -3.020 10.448 1.00 0.00 C ATOM 771 C GLU A 55 -11.022 -2.445 10.299 1.00 0.00 C ATOM 772 O GLU A 55 -12.010 -3.102 10.560 1.00 0.00 O ATOM 773 CB GLU A 55 -9.044 -2.553 11.771 1.00 0.00 C ATOM 774 CG GLU A 55 -9.180 -1.033 11.890 1.00 0.00 C ATOM 775 CD GLU A 55 -8.267 -0.524 13.008 1.00 0.00 C ATOM 776 OE1 GLU A 55 -7.694 0.541 12.840 1.00 0.00 O ATOM 777 OE2 GLU A 55 -8.157 -1.206 14.013 1.00 0.00 O ATOM 0 H GLU A 55 -7.759 -2.536 9.505 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.667 -4.109 10.427 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.562 -3.039 12.598 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.995 -2.840 11.839 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.915 -0.559 10.945 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.215 -0.765 12.101 1.00 0.00 H new ATOM 784 N SER A 56 -11.100 -1.229 9.845 1.00 0.00 N ATOM 785 CA SER A 56 -12.421 -0.588 9.621 1.00 0.00 C ATOM 786 C SER A 56 -13.444 -1.676 9.293 1.00 0.00 C ATOM 787 O SER A 56 -14.552 -1.677 9.792 1.00 0.00 O ATOM 788 CB SER A 56 -12.303 0.373 8.439 1.00 0.00 C ATOM 789 OG SER A 56 -12.308 1.712 8.915 1.00 0.00 O ATOM 0 H SER A 56 -10.295 -0.645 9.617 1.00 0.00 H new ATOM 0 HA SER A 56 -12.737 -0.042 10.510 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.384 0.176 7.886 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.131 0.219 7.747 1.00 0.00 H new ATOM 0 HG SER A 56 -12.841 2.272 8.312 1.00 0.00 H new ATOM 795 N PHE A 57 -13.062 -2.617 8.462 1.00 0.00 N ATOM 796 CA PHE A 57 -13.996 -3.728 8.106 1.00 0.00 C ATOM 797 C PHE A 57 -13.402 -5.059 8.551 1.00 0.00 C ATOM 798 O PHE A 57 -13.587 -5.498 9.670 1.00 0.00 O ATOM 799 CB PHE A 57 -14.206 -3.774 6.597 1.00 0.00 C ATOM 800 CG PHE A 57 -15.136 -4.916 6.259 1.00 0.00 C ATOM 801 CD1 PHE A 57 -14.667 -6.012 5.525 1.00 0.00 C ATOM 802 CD2 PHE A 57 -16.470 -4.878 6.684 1.00 0.00 C ATOM 803 CE1 PHE A 57 -15.531 -7.069 5.216 1.00 0.00 C ATOM 804 CE2 PHE A 57 -17.334 -5.935 6.373 1.00 0.00 C ATOM 805 CZ PHE A 57 -16.864 -7.031 5.639 1.00 0.00 C ATOM 0 H PHE A 57 -12.145 -2.662 8.017 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.949 -3.554 8.606 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.627 -2.831 6.248 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.251 -3.905 6.089 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.638 -6.042 5.197 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -16.832 -4.034 7.252 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.168 -7.915 4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -18.363 -5.905 6.699 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.530 -7.847 5.400 1.00 0.00 H new ATOM 815 N ALA A 58 -12.689 -5.700 7.671 1.00 0.00 N ATOM 816 CA ALA A 58 -12.062 -7.015 8.005 1.00 0.00 C ATOM 817 C ALA A 58 -10.546 -6.889 7.864 1.00 0.00 C ATOM 818 O ALA A 58 -9.807 -7.825 8.092 1.00 0.00 O ATOM 819 CB ALA A 58 -12.578 -8.086 7.040 1.00 0.00 C ATOM 0 H ALA A 58 -12.510 -5.369 6.723 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.317 -7.299 9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.121 -9.045 7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.661 -8.166 7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.320 -7.810 6.018 1.00 0.00 H new ATOM 825 N ASP A 59 -10.086 -5.729 7.490 1.00 0.00 N ATOM 826 CA ASP A 59 -8.624 -5.510 7.329 1.00 0.00 C ATOM 827 C ASP A 59 -8.029 -6.539 6.365 1.00 0.00 C ATOM 828 O ASP A 59 -7.180 -7.323 6.737 1.00 0.00 O ATOM 829 CB ASP A 59 -7.926 -5.623 8.691 1.00 0.00 C ATOM 830 CG ASP A 59 -6.412 -5.598 8.500 1.00 0.00 C ATOM 831 OD1 ASP A 59 -5.706 -5.768 9.481 1.00 0.00 O ATOM 832 OD2 ASP A 59 -5.983 -5.406 7.377 1.00 0.00 O ATOM 0 H ASP A 59 -10.667 -4.916 7.287 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.468 -4.512 6.920 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.234 -4.801 9.337 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.224 -6.547 9.187 1.00 0.00 H new ATOM 837 N HIS A 60 -8.433 -6.530 5.121 1.00 0.00 N ATOM 838 CA HIS A 60 -7.828 -7.497 4.160 1.00 0.00 C ATOM 839 C HIS A 60 -6.315 -7.343 4.281 1.00 0.00 C ATOM 840 O HIS A 60 -5.558 -8.259 4.062 1.00 0.00 O ATOM 841 CB HIS A 60 -8.255 -7.152 2.724 1.00 0.00 C ATOM 842 CG HIS A 60 -9.246 -8.158 2.201 1.00 0.00 C ATOM 843 ND1 HIS A 60 -9.129 -9.502 1.948 1.00 0.00 N flip ATOM 844 CD2 HIS A 60 -10.553 -7.814 1.849 1.00 0.00 C flip ATOM 845 CE1 HIS A 60 -10.329 -9.987 1.452 1.00 0.00 C flip ATOM 846 NE2 HIS A 60 -11.151 -8.939 1.410 1.00 0.00 N flip ATOM 0 H HIS A 60 -9.142 -5.907 4.735 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.150 -8.515 4.380 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.696 -6.155 2.701 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.379 -7.128 2.076 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.000 -6.833 1.916 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.551 -11.003 1.160 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.117 -8.983 1.085 1.00 0.00 H new ATOM 854 N SER A 61 -5.881 -6.170 4.641 1.00 0.00 N ATOM 855 CA SER A 61 -4.421 -5.912 4.791 1.00 0.00 C ATOM 856 C SER A 61 -3.755 -7.072 5.530 1.00 0.00 C ATOM 857 O SER A 61 -2.581 -7.332 5.360 1.00 0.00 O ATOM 858 CB SER A 61 -4.228 -4.618 5.585 1.00 0.00 C ATOM 859 OG SER A 61 -3.077 -3.940 5.098 1.00 0.00 O ATOM 0 H SER A 61 -6.481 -5.369 4.840 1.00 0.00 H new ATOM 0 HA SER A 61 -3.964 -5.817 3.806 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.108 -3.982 5.488 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.112 -4.841 6.646 1.00 0.00 H new ATOM 0 HG SER A 61 -3.205 -2.973 5.187 1.00 0.00 H new ATOM 865 N THR A 62 -4.487 -7.769 6.352 1.00 0.00 N ATOM 866 CA THR A 62 -3.878 -8.900 7.096 1.00 0.00 C ATOM 867 C THR A 62 -3.992 -10.186 6.287 1.00 0.00 C ATOM 868 O THR A 62 -3.007 -10.755 5.874 1.00 0.00 O ATOM 869 CB THR A 62 -4.616 -9.105 8.414 1.00 0.00 C ATOM 870 OG1 THR A 62 -5.414 -7.966 8.696 1.00 0.00 O ATOM 871 CG2 THR A 62 -3.613 -9.330 9.550 1.00 0.00 C ATOM 0 H THR A 62 -5.476 -7.604 6.539 1.00 0.00 H new ATOM 0 HA THR A 62 -2.829 -8.666 7.277 1.00 0.00 H new ATOM 0 HB THR A 62 -5.256 -9.983 8.330 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.858 -7.270 9.105 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.151 -9.475 10.487 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.013 -10.214 9.335 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.961 -8.461 9.637 1.00 0.00 H new ATOM 879 N ILE A 63 -5.194 -10.660 6.084 1.00 0.00 N ATOM 880 CA ILE A 63 -5.365 -11.929 5.333 1.00 0.00 C ATOM 881 C ILE A 63 -4.781 -11.771 3.930 1.00 0.00 C ATOM 882 O ILE A 63 -4.227 -12.691 3.366 1.00 0.00 O ATOM 883 CB ILE A 63 -6.839 -12.302 5.239 1.00 0.00 C ATOM 884 CG1 ILE A 63 -7.638 -11.075 4.827 1.00 0.00 C ATOM 885 CG2 ILE A 63 -7.332 -12.806 6.597 1.00 0.00 C ATOM 886 CD1 ILE A 63 -8.998 -11.507 4.279 1.00 0.00 C ATOM 0 H ILE A 63 -6.057 -10.223 6.406 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.841 -12.725 5.862 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.970 -13.091 4.498 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.773 -10.413 5.682 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.093 -10.511 4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.387 -13.072 6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.756 -13.683 6.890 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.205 -12.022 7.344 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.568 -10.626 3.985 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.853 -12.152 3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.544 -12.052 5.049 1.00 0.00 H new ATOM 898 N HIS A 64 -4.900 -10.603 3.372 1.00 0.00 N ATOM 899 CA HIS A 64 -4.349 -10.360 2.009 1.00 0.00 C ATOM 900 C HIS A 64 -2.824 -10.341 2.088 1.00 0.00 C ATOM 901 O HIS A 64 -2.144 -10.915 1.260 1.00 0.00 O ATOM 902 CB HIS A 64 -4.845 -9.017 1.471 1.00 0.00 C ATOM 903 CG HIS A 64 -4.259 -8.788 0.108 1.00 0.00 C ATOM 904 ND1 HIS A 64 -4.993 -8.965 -1.055 1.00 0.00 N ATOM 905 CD2 HIS A 64 -3.004 -8.405 -0.295 1.00 0.00 C ATOM 906 CE1 HIS A 64 -4.179 -8.693 -2.092 1.00 0.00 C ATOM 907 NE2 HIS A 64 -2.956 -8.347 -1.683 1.00 0.00 N ATOM 0 H HIS A 64 -5.358 -9.799 3.802 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.681 -11.153 1.339 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.934 -9.012 1.418 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.555 -8.211 2.145 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -5.971 -9.249 -1.114 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.179 -8.183 0.366 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.479 -8.748 -3.128 1.00 0.00 H new ATOM 915 N ALA A 65 -2.276 -9.708 3.092 1.00 0.00 N ATOM 916 CA ALA A 65 -0.792 -9.691 3.224 1.00 0.00 C ATOM 917 C ALA A 65 -0.382 -11.061 3.742 1.00 0.00 C ATOM 918 O ALA A 65 0.744 -11.491 3.630 1.00 0.00 O ATOM 919 CB ALA A 65 -0.368 -8.613 4.223 1.00 0.00 C ATOM 0 H ALA A 65 -2.787 -9.207 3.819 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.317 -9.472 2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.718 -8.608 4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.708 -7.638 3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.812 -8.824 5.196 1.00 0.00 H new ATOM 925 N GLN A 66 -1.326 -11.726 4.324 1.00 0.00 N ATOM 926 CA GLN A 66 -1.112 -13.075 4.901 1.00 0.00 C ATOM 927 C GLN A 66 -1.225 -14.146 3.810 1.00 0.00 C ATOM 928 O GLN A 66 -0.570 -15.169 3.858 1.00 0.00 O ATOM 929 CB GLN A 66 -2.240 -13.258 5.908 1.00 0.00 C ATOM 930 CG GLN A 66 -2.377 -14.708 6.378 1.00 0.00 C ATOM 931 CD GLN A 66 -1.536 -14.929 7.638 1.00 0.00 C ATOM 932 OE1 GLN A 66 -1.779 -14.316 8.660 1.00 0.00 O ATOM 933 NE2 GLN A 66 -0.551 -15.783 7.608 1.00 0.00 N ATOM 0 H GLN A 66 -2.278 -11.376 4.429 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.125 -13.169 5.354 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.061 -12.615 6.770 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.179 -12.935 5.459 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.423 -14.935 6.584 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.052 -15.387 5.590 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.348 -16.297 6.751 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.016 -15.937 8.442 1.00 0.00 H new ATOM 942 N ALA A 67 -2.072 -13.928 2.843 1.00 0.00 N ATOM 943 CA ALA A 67 -2.262 -14.940 1.767 1.00 0.00 C ATOM 944 C ALA A 67 -1.270 -14.691 0.636 1.00 0.00 C ATOM 945 O ALA A 67 -0.674 -15.606 0.103 1.00 0.00 O ATOM 946 CB ALA A 67 -3.694 -14.838 1.227 1.00 0.00 C ATOM 0 H ALA A 67 -2.644 -13.088 2.751 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.092 -15.937 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.839 -15.577 0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.402 -15.025 2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.860 -13.839 0.823 1.00 0.00 H new ATOM 952 N LYS A 68 -1.101 -13.457 0.259 1.00 0.00 N ATOM 953 CA LYS A 68 -0.162 -13.133 -0.848 1.00 0.00 C ATOM 954 C LYS A 68 1.174 -12.681 -0.265 1.00 0.00 C ATOM 955 O LYS A 68 2.087 -12.316 -0.979 1.00 0.00 O ATOM 956 CB LYS A 68 -0.762 -12.016 -1.699 1.00 0.00 C ATOM 957 CG LYS A 68 -2.162 -12.434 -2.177 1.00 0.00 C ATOM 958 CD LYS A 68 -3.229 -11.881 -1.227 1.00 0.00 C ATOM 959 CE LYS A 68 -4.617 -12.134 -1.817 1.00 0.00 C ATOM 960 NZ LYS A 68 -4.837 -13.602 -1.958 1.00 0.00 N ATOM 0 H LYS A 68 -1.575 -12.654 0.672 1.00 0.00 H new ATOM 0 HA LYS A 68 0.000 -14.015 -1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.824 -11.095 -1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.119 -11.811 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.336 -12.063 -3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.231 -13.521 -2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.145 -12.358 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.076 -10.813 -1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.382 -11.701 -1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.705 -11.647 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.815 -13.834 -1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.670 -13.885 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.179 -14.113 -1.336 1.00 0.00 H new ATOM 974 N LYS A 69 1.292 -12.713 1.029 1.00 0.00 N ATOM 975 CA LYS A 69 2.563 -12.301 1.680 1.00 0.00 C ATOM 976 C LYS A 69 2.943 -10.881 1.241 1.00 0.00 C ATOM 977 O LYS A 69 4.066 -10.452 1.420 1.00 0.00 O ATOM 978 CB LYS A 69 3.678 -13.284 1.291 1.00 0.00 C ATOM 979 CG LYS A 69 3.739 -14.434 2.306 1.00 0.00 C ATOM 980 CD LYS A 69 2.333 -15.005 2.544 1.00 0.00 C ATOM 981 CE LYS A 69 2.438 -16.473 2.962 1.00 0.00 C ATOM 982 NZ LYS A 69 1.099 -16.967 3.389 1.00 0.00 N ATOM 0 H LYS A 69 0.556 -13.010 1.670 1.00 0.00 H new ATOM 0 HA LYS A 69 2.432 -12.311 2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.494 -13.679 0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.636 -12.766 1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.401 -15.218 1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.159 -14.077 3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.823 -14.432 3.318 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.736 -14.917 1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.810 -17.073 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.153 -16.579 3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.216 -17.709 4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.550 -16.180 3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.595 -17.358 2.568 1.00 0.00 H new ATOM 996 N HIS A 70 2.019 -10.139 0.690 1.00 0.00 N ATOM 997 CA HIS A 70 2.349 -8.740 0.276 1.00 0.00 C ATOM 998 C HIS A 70 2.491 -7.900 1.547 1.00 0.00 C ATOM 999 O HIS A 70 1.564 -7.777 2.322 1.00 0.00 O ATOM 1000 CB HIS A 70 1.227 -8.185 -0.610 1.00 0.00 C ATOM 1001 CG HIS A 70 1.162 -8.993 -1.878 1.00 0.00 C ATOM 1002 ND1 HIS A 70 2.003 -9.950 -2.397 1.00 0.00 N flip ATOM 1003 CD2 HIS A 70 0.131 -8.857 -2.797 1.00 0.00 C flip ATOM 1004 CE1 HIS A 70 1.503 -10.394 -3.613 1.00 0.00 C flip ATOM 1005 NE2 HIS A 70 0.378 -9.708 -3.811 1.00 0.00 N flip ATOM 0 H HIS A 70 1.060 -10.435 0.509 1.00 0.00 H new ATOM 0 HA HIS A 70 3.277 -8.714 -0.296 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.273 -8.232 -0.084 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.413 -7.136 -0.841 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.715 -8.191 -2.714 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.936 -11.140 -4.263 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.222 -9.814 -4.629 1.00 0.00 H new ATOM 1013 N ASN A 71 3.650 -7.343 1.792 1.00 0.00 N ATOM 1014 CA ASN A 71 3.840 -6.550 3.039 1.00 0.00 C ATOM 1015 C ASN A 71 3.534 -5.074 2.798 1.00 0.00 C ATOM 1016 O ASN A 71 2.917 -4.419 3.614 1.00 0.00 O ATOM 1017 CB ASN A 71 5.287 -6.700 3.505 1.00 0.00 C ATOM 1018 CG ASN A 71 6.219 -6.717 2.292 1.00 0.00 C ATOM 1019 OD1 ASN A 71 6.285 -7.789 1.550 1.00 0.00 O flip ATOM 1020 ND2 ASN A 71 6.897 -5.748 2.017 1.00 0.00 N flip ATOM 0 H ASN A 71 4.467 -7.404 1.185 1.00 0.00 H new ATOM 0 HA ASN A 71 3.155 -6.922 3.801 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.553 -5.877 4.169 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.402 -7.621 4.077 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.847 -4.910 2.596 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.517 -5.772 1.207 1.00 0.00 H new ATOM 1027 N LEU A 72 3.985 -4.533 1.704 1.00 0.00 N ATOM 1028 CA LEU A 72 3.755 -3.086 1.442 1.00 0.00 C ATOM 1029 C LEU A 72 2.363 -2.812 0.888 1.00 0.00 C ATOM 1030 O LEU A 72 1.907 -3.435 -0.050 1.00 0.00 O ATOM 1031 CB LEU A 72 4.789 -2.593 0.442 1.00 0.00 C ATOM 1032 CG LEU A 72 6.169 -2.624 1.094 1.00 0.00 C ATOM 1033 CD1 LEU A 72 7.238 -2.579 0.008 1.00 0.00 C ATOM 1034 CD2 LEU A 72 6.336 -1.416 2.028 1.00 0.00 C ATOM 0 H LEU A 72 4.503 -5.029 0.979 1.00 0.00 H new ATOM 0 HA LEU A 72 3.844 -2.560 2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.780 -3.221 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.548 -1.580 0.120 1.00 0.00 H new ATOM 0 HG LEU A 72 6.272 -3.540 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.226 -2.601 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.125 -3.441 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.129 -1.663 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.323 -1.446 2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.231 -0.495 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.572 -1.448 2.805 1.00 0.00 H new ATOM 1046 N THR A 73 1.710 -1.843 1.461 1.00 0.00 N ATOM 1047 CA THR A 73 0.357 -1.440 0.997 1.00 0.00 C ATOM 1048 C THR A 73 0.210 0.051 1.295 1.00 0.00 C ATOM 1049 O THR A 73 0.892 0.575 2.148 1.00 0.00 O ATOM 1050 CB THR A 73 -0.712 -2.229 1.758 1.00 0.00 C ATOM 1051 OG1 THR A 73 -0.721 -1.812 3.117 1.00 0.00 O ATOM 1052 CG2 THR A 73 -0.403 -3.725 1.685 1.00 0.00 C ATOM 0 H THR A 73 2.066 -1.302 2.249 1.00 0.00 H new ATOM 0 HA THR A 73 0.234 -1.641 -0.067 1.00 0.00 H new ATOM 0 HB THR A 73 -1.688 -2.044 1.309 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.504 -2.190 3.570 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.167 -4.281 2.228 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.394 -4.044 0.643 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.572 -3.917 2.132 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.658 0.749 0.612 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.799 2.212 0.882 1.00 0.00 C ATOM 1062 C VAL A 74 -2.230 2.533 1.303 1.00 0.00 C ATOM 1063 O VAL A 74 -3.180 2.292 0.585 1.00 0.00 O ATOM 1064 CB VAL A 74 -0.437 3.008 -0.380 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -1.076 2.355 -1.611 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -0.943 4.450 -0.244 1.00 0.00 C ATOM 0 H VAL A 74 -1.270 0.376 -0.114 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.123 2.490 1.690 1.00 0.00 H new ATOM 0 HB VAL A 74 0.647 3.013 -0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.815 2.925 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.709 1.334 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.160 2.341 -1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.685 5.012 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.026 4.445 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.479 4.918 0.624 1.00 0.00 H new ATOM 1076 N ASN A 75 -2.380 3.083 2.476 1.00 0.00 N ATOM 1077 CA ASN A 75 -3.736 3.436 2.971 1.00 0.00 C ATOM 1078 C ASN A 75 -4.199 4.725 2.295 1.00 0.00 C ATOM 1079 O ASN A 75 -3.734 5.804 2.609 1.00 0.00 O ATOM 1080 CB ASN A 75 -3.690 3.639 4.488 1.00 0.00 C ATOM 1081 CG ASN A 75 -5.112 3.623 5.049 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -6.119 3.855 4.251 1.00 0.00 O flip ATOM 1083 ND2 ASN A 75 -5.312 3.396 6.227 1.00 0.00 N flip ATOM 0 H ASN A 75 -1.616 3.303 3.115 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.433 2.631 2.737 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.096 2.852 4.953 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.205 4.586 4.724 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.527 3.215 6.852 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.265 3.387 6.590 1.00 0.00 H new ATOM 1090 N LEU A 76 -5.112 4.623 1.374 1.00 0.00 N ATOM 1091 CA LEU A 76 -5.610 5.842 0.677 1.00 0.00 C ATOM 1092 C LEU A 76 -6.304 6.736 1.700 1.00 0.00 C ATOM 1093 O LEU A 76 -6.850 7.772 1.374 1.00 0.00 O ATOM 1094 CB LEU A 76 -6.601 5.431 -0.416 1.00 0.00 C ATOM 1095 CG LEU A 76 -6.071 4.180 -1.161 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -7.209 3.175 -1.402 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -5.447 4.584 -2.509 1.00 0.00 C ATOM 0 H LEU A 76 -5.537 3.747 1.072 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.782 6.382 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.575 5.218 0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.742 6.252 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.308 3.711 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.819 2.303 -1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.630 2.865 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.986 3.643 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.079 3.695 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.200 5.073 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.619 5.271 -2.335 1.00 0.00 H new ATOM 1109 N THR A 77 -6.276 6.339 2.939 1.00 0.00 N ATOM 1110 CA THR A 77 -6.916 7.149 4.005 1.00 0.00 C ATOM 1111 C THR A 77 -5.917 8.182 4.507 1.00 0.00 C ATOM 1112 O THR A 77 -6.263 9.312 4.793 1.00 0.00 O ATOM 1113 CB THR A 77 -7.314 6.228 5.157 1.00 0.00 C ATOM 1114 OG1 THR A 77 -8.124 5.181 4.650 1.00 0.00 O ATOM 1115 CG2 THR A 77 -8.081 7.030 6.212 1.00 0.00 C ATOM 0 H THR A 77 -5.832 5.479 3.260 1.00 0.00 H new ATOM 0 HA THR A 77 -7.801 7.652 3.614 1.00 0.00 H new ATOM 0 HB THR A 77 -6.424 5.803 5.621 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.553 4.450 4.333 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.365 6.372 7.034 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.447 7.832 6.591 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.978 7.457 5.763 1.00 0.00 H new ATOM 1123 N THR A 78 -4.676 7.792 4.630 1.00 0.00 N ATOM 1124 CA THR A 78 -3.638 8.742 5.134 1.00 0.00 C ATOM 1125 C THR A 78 -2.579 9.032 4.062 1.00 0.00 C ATOM 1126 O THR A 78 -1.833 9.983 4.168 1.00 0.00 O ATOM 1127 CB THR A 78 -2.961 8.137 6.368 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.809 6.737 6.182 1.00 0.00 O ATOM 1129 CG2 THR A 78 -3.819 8.397 7.608 1.00 0.00 C ATOM 0 H THR A 78 -4.335 6.858 4.404 1.00 0.00 H new ATOM 0 HA THR A 78 -4.127 9.682 5.391 1.00 0.00 H new ATOM 0 HB THR A 78 -1.982 8.597 6.506 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.000 6.273 7.024 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.334 7.965 8.483 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.936 9.471 7.751 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.800 7.940 7.474 1.00 0.00 H new ATOM 1137 N PHE A 79 -2.505 8.235 3.033 1.00 0.00 N ATOM 1138 CA PHE A 79 -1.493 8.484 1.959 1.00 0.00 C ATOM 1139 C PHE A 79 -0.086 8.105 2.440 1.00 0.00 C ATOM 1140 O PHE A 79 0.869 8.830 2.243 1.00 0.00 O ATOM 1141 CB PHE A 79 -1.519 9.962 1.551 1.00 0.00 C ATOM 1142 CG PHE A 79 -2.937 10.479 1.615 1.00 0.00 C ATOM 1143 CD1 PHE A 79 -3.233 11.624 2.366 1.00 0.00 C ATOM 1144 CD2 PHE A 79 -3.956 9.814 0.922 1.00 0.00 C ATOM 1145 CE1 PHE A 79 -4.547 12.103 2.423 1.00 0.00 C ATOM 1146 CE2 PHE A 79 -5.270 10.294 0.980 1.00 0.00 C ATOM 1147 CZ PHE A 79 -5.566 11.438 1.731 1.00 0.00 C ATOM 0 H PHE A 79 -3.101 7.420 2.886 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.745 7.865 1.098 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.878 10.544 2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.124 10.078 0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.447 12.137 2.901 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.728 8.931 0.343 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.775 12.986 3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.056 9.781 0.445 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.580 11.807 1.776 1.00 0.00 H new ATOM 1157 N ARG A 80 0.043 6.954 3.029 1.00 0.00 N ATOM 1158 CA ARG A 80 1.368 6.464 3.493 1.00 0.00 C ATOM 1159 C ARG A 80 1.372 4.964 3.246 1.00 0.00 C ATOM 1160 O ARG A 80 0.418 4.419 2.733 1.00 0.00 O ATOM 1161 CB ARG A 80 1.593 6.748 4.985 1.00 0.00 C ATOM 1162 CG ARG A 80 0.276 7.119 5.678 1.00 0.00 C ATOM 1163 CD ARG A 80 0.365 6.736 7.160 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.580 7.567 7.958 1.00 0.00 N ATOM 1165 CZ ARG A 80 -0.219 8.749 8.377 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -1.047 9.474 9.078 1.00 0.00 N ATOM 1167 NH2 ARG A 80 0.970 9.209 8.093 1.00 0.00 N ATOM 0 H ARG A 80 -0.732 6.317 3.213 1.00 0.00 H new ATOM 0 HA ARG A 80 2.168 6.973 2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.026 5.870 5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.310 7.561 5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.085 8.187 5.576 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.557 6.600 5.205 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.129 5.679 7.286 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.383 6.880 7.521 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.511 7.211 8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.977 9.117 9.299 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.765 10.398 9.405 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.617 8.644 7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.251 10.133 8.421 1.00 0.00 H new ATOM 1181 N LEU A 81 2.422 4.290 3.587 1.00 0.00 N ATOM 1182 CA LEU A 81 2.464 2.824 3.341 1.00 0.00 C ATOM 1183 C LEU A 81 2.518 2.067 4.657 1.00 0.00 C ATOM 1184 O LEU A 81 2.642 2.634 5.721 1.00 0.00 O ATOM 1185 CB LEU A 81 3.703 2.486 2.510 1.00 0.00 C ATOM 1186 CG LEU A 81 3.386 2.614 1.014 1.00 0.00 C ATOM 1187 CD1 LEU A 81 4.593 3.210 0.282 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.057 1.234 0.413 1.00 0.00 C ATOM 0 H LEU A 81 3.254 4.684 4.025 1.00 0.00 H new ATOM 0 HA LEU A 81 1.563 2.530 2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.522 3.155 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.035 1.472 2.734 1.00 0.00 H new ATOM 0 HG LEU A 81 2.522 3.267 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.366 3.300 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.816 4.196 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.457 2.559 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.835 1.343 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.912 0.569 0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.191 0.812 0.923 1.00 0.00 H new ATOM 1200 N TRP A 82 2.435 0.779 4.566 1.00 0.00 N ATOM 1201 CA TRP A 82 2.487 -0.083 5.768 1.00 0.00 C ATOM 1202 C TRP A 82 3.103 -1.413 5.345 1.00 0.00 C ATOM 1203 O TRP A 82 2.517 -2.166 4.592 1.00 0.00 O ATOM 1204 CB TRP A 82 1.067 -0.306 6.305 1.00 0.00 C ATOM 1205 CG TRP A 82 0.917 0.342 7.646 1.00 0.00 C ATOM 1206 CD1 TRP A 82 0.154 1.428 7.902 1.00 0.00 C ATOM 1207 CD2 TRP A 82 1.524 -0.040 8.914 1.00 0.00 C ATOM 1208 NE1 TRP A 82 0.258 1.741 9.245 1.00 0.00 N ATOM 1209 CE2 TRP A 82 1.091 0.865 9.912 1.00 0.00 C ATOM 1210 CE3 TRP A 82 2.402 -1.072 9.291 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 1.513 0.749 11.236 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 2.829 -1.192 10.623 1.00 0.00 C ATOM 1213 CH2 TRP A 82 2.385 -0.282 11.594 1.00 0.00 C ATOM 0 H TRP A 82 2.331 0.273 3.686 1.00 0.00 H new ATOM 0 HA TRP A 82 3.080 0.380 6.556 1.00 0.00 H new ATOM 0 HB2 TRP A 82 0.337 0.108 5.609 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.863 -1.374 6.383 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.440 1.964 7.176 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -0.222 2.524 9.689 1.00 0.00 H new ATOM 0 HE3 TRP A 82 2.750 -1.777 8.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.168 1.452 11.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.503 -1.989 10.902 1.00 0.00 H new ATOM 0 HH2 TRP A 82 2.717 -0.378 12.617 1.00 0.00 H new ATOM 1224 N CYS A 83 4.288 -1.699 5.799 1.00 0.00 N ATOM 1225 CA CYS A 83 4.944 -2.967 5.400 1.00 0.00 C ATOM 1226 C CYS A 83 4.611 -4.059 6.406 1.00 0.00 C ATOM 1227 O CYS A 83 5.108 -4.051 7.503 1.00 0.00 O ATOM 1228 CB CYS A 83 6.459 -2.762 5.379 1.00 0.00 C ATOM 1229 SG CYS A 83 7.176 -3.766 4.059 1.00 0.00 S ATOM 0 H CYS A 83 4.830 -1.108 6.430 1.00 0.00 H new ATOM 0 HA CYS A 83 4.589 -3.260 4.412 1.00 0.00 H new ATOM 0 HB2 CYS A 83 6.693 -1.709 5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 83 6.889 -3.043 6.340 1.00 0.00 H new ATOM 0 HG CYS A 83 8.433 -3.980 4.311 1.00 0.00 H new ATOM 1234 N TYR A 84 3.806 -5.015 6.045 1.00 0.00 N ATOM 1235 CA TYR A 84 3.515 -6.102 7.012 1.00 0.00 C ATOM 1236 C TYR A 84 4.804 -6.902 7.181 1.00 0.00 C ATOM 1237 O TYR A 84 4.867 -7.870 7.911 1.00 0.00 O ATOM 1238 CB TYR A 84 2.387 -7.003 6.483 1.00 0.00 C ATOM 1239 CG TYR A 84 1.650 -7.627 7.645 1.00 0.00 C ATOM 1240 CD1 TYR A 84 1.967 -8.928 8.058 1.00 0.00 C ATOM 1241 CD2 TYR A 84 0.650 -6.907 8.308 1.00 0.00 C ATOM 1242 CE1 TYR A 84 1.284 -9.506 9.134 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -0.033 -7.486 9.384 1.00 0.00 C ATOM 1244 CZ TYR A 84 0.283 -8.785 9.797 1.00 0.00 C ATOM 1245 OH TYR A 84 -0.389 -9.356 10.858 1.00 0.00 O ATOM 0 H TYR A 84 3.344 -5.091 5.139 1.00 0.00 H new ATOM 0 HA TYR A 84 3.184 -5.695 7.967 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.697 -6.419 5.873 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.800 -7.781 5.841 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.738 -9.484 7.546 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.405 -5.904 7.990 1.00 0.00 H new ATOM 0 HE1 TYR A 84 1.529 -10.508 9.453 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.804 -6.930 9.896 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.050 -8.722 11.206 1.00 0.00 H new ATOM 1255 N ALA A 85 5.849 -6.462 6.523 1.00 0.00 N ATOM 1256 CA ALA A 85 7.165 -7.140 6.645 1.00 0.00 C ATOM 1257 C ALA A 85 8.006 -6.301 7.602 1.00 0.00 C ATOM 1258 O ALA A 85 8.228 -6.676 8.737 1.00 0.00 O ATOM 1259 CB ALA A 85 7.860 -7.220 5.284 1.00 0.00 C ATOM 0 H ALA A 85 5.840 -5.653 5.902 1.00 0.00 H new ATOM 0 HA ALA A 85 7.037 -8.158 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.822 -7.720 5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.237 -7.783 4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.017 -6.214 4.896 1.00 0.00 H new ATOM 1265 N CYS A 86 8.425 -5.131 7.179 1.00 0.00 N ATOM 1266 CA CYS A 86 9.178 -4.258 8.101 1.00 0.00 C ATOM 1267 C CYS A 86 8.203 -3.918 9.216 1.00 0.00 C ATOM 1268 O CYS A 86 8.550 -3.368 10.243 1.00 0.00 O ATOM 1269 CB CYS A 86 9.618 -2.979 7.375 1.00 0.00 C ATOM 1270 SG CYS A 86 10.556 -3.411 5.887 1.00 0.00 S ATOM 0 H CYS A 86 8.274 -4.756 6.242 1.00 0.00 H new ATOM 0 HA CYS A 86 10.078 -4.742 8.480 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.745 -2.384 7.106 1.00 0.00 H new ATOM 0 HB3 CYS A 86 10.230 -2.366 8.037 1.00 0.00 H new ATOM 0 HG CYS A 86 10.088 -2.748 4.871 1.00 0.00 H new ATOM 1275 N GLU A 87 6.964 -4.270 8.992 1.00 0.00 N ATOM 1276 CA GLU A 87 5.895 -4.016 9.989 1.00 0.00 C ATOM 1277 C GLU A 87 6.007 -2.580 10.506 1.00 0.00 C ATOM 1278 O GLU A 87 6.251 -2.335 11.671 1.00 0.00 O ATOM 1279 CB GLU A 87 6.035 -5.038 11.117 1.00 0.00 C ATOM 1280 CG GLU A 87 4.783 -5.920 11.183 1.00 0.00 C ATOM 1281 CD GLU A 87 3.605 -5.098 11.708 1.00 0.00 C ATOM 1282 OE1 GLU A 87 3.584 -4.820 12.896 1.00 0.00 O ATOM 1283 OE2 GLU A 87 2.744 -4.759 10.913 1.00 0.00 O ATOM 0 H GLU A 87 6.647 -4.732 8.140 1.00 0.00 H new ATOM 0 HA GLU A 87 4.908 -4.126 9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.917 -5.656 10.951 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.179 -4.525 12.068 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.552 -6.316 10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.962 -6.775 11.835 1.00 0.00 H new ATOM 1290 N LYS A 88 5.819 -1.628 9.633 1.00 0.00 N ATOM 1291 CA LYS A 88 5.898 -0.198 10.047 1.00 0.00 C ATOM 1292 C LYS A 88 5.183 0.662 9.003 1.00 0.00 C ATOM 1293 O LYS A 88 4.630 0.157 8.050 1.00 0.00 O ATOM 1294 CB LYS A 88 7.363 0.230 10.143 1.00 0.00 C ATOM 1295 CG LYS A 88 8.123 -0.299 8.926 1.00 0.00 C ATOM 1296 CD LYS A 88 9.471 0.423 8.799 1.00 0.00 C ATOM 1297 CE LYS A 88 10.407 0.003 9.941 1.00 0.00 C ATOM 1298 NZ LYS A 88 10.629 1.163 10.850 1.00 0.00 N ATOM 0 H LYS A 88 5.613 -1.780 8.646 1.00 0.00 H new ATOM 0 HA LYS A 88 5.423 -0.071 11.020 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.435 1.317 10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.808 -0.156 11.060 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.283 -1.373 9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.532 -0.147 8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.929 0.187 7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.318 1.502 8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.973 -0.829 10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.358 -0.344 9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.263 0.881 11.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.061 1.944 10.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.718 1.474 11.244 1.00 0.00 H new ATOM 1312 N GLU A 89 5.195 1.956 9.178 1.00 0.00 N ATOM 1313 CA GLU A 89 4.520 2.863 8.198 1.00 0.00 C ATOM 1314 C GLU A 89 5.591 3.562 7.355 1.00 0.00 C ATOM 1315 O GLU A 89 6.618 3.960 7.868 1.00 0.00 O ATOM 1316 CB GLU A 89 3.697 3.904 8.972 1.00 0.00 C ATOM 1317 CG GLU A 89 2.365 4.170 8.259 1.00 0.00 C ATOM 1318 CD GLU A 89 1.354 4.730 9.262 1.00 0.00 C ATOM 1319 OE1 GLU A 89 1.704 5.663 9.968 1.00 0.00 O ATOM 1320 OE2 GLU A 89 0.249 4.217 9.308 1.00 0.00 O ATOM 0 H GLU A 89 5.645 2.429 9.962 1.00 0.00 H new ATOM 0 HA GLU A 89 3.859 2.295 7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.510 3.549 9.985 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.262 4.832 9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.512 4.876 7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.985 3.248 7.819 1.00 0.00 H new ATOM 1327 N VAL A 90 5.384 3.709 6.069 1.00 0.00 N ATOM 1328 CA VAL A 90 6.434 4.375 5.241 1.00 0.00 C ATOM 1329 C VAL A 90 5.799 5.110 4.055 1.00 0.00 C ATOM 1330 O VAL A 90 4.817 4.689 3.502 1.00 0.00 O ATOM 1331 CB VAL A 90 7.420 3.308 4.725 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.646 3.248 5.641 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.732 1.939 4.715 1.00 0.00 C ATOM 0 H VAL A 90 4.551 3.403 5.566 1.00 0.00 H new ATOM 0 HA VAL A 90 6.963 5.104 5.855 1.00 0.00 H new ATOM 0 HB VAL A 90 7.734 3.570 3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.339 2.492 5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.140 4.220 5.652 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.332 2.989 6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.429 1.184 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.416 1.683 5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.861 1.974 4.061 1.00 0.00 H new ATOM 1343 N PHE A 91 6.379 6.200 3.656 1.00 0.00 N ATOM 1344 CA PHE A 91 5.849 6.971 2.496 1.00 0.00 C ATOM 1345 C PHE A 91 6.707 6.656 1.291 1.00 0.00 C ATOM 1346 O PHE A 91 7.737 6.023 1.408 1.00 0.00 O ATOM 1347 CB PHE A 91 5.973 8.469 2.741 1.00 0.00 C ATOM 1348 CG PHE A 91 5.168 8.866 3.956 1.00 0.00 C ATOM 1349 CD1 PHE A 91 4.000 9.625 3.805 1.00 0.00 C ATOM 1350 CD2 PHE A 91 5.588 8.478 5.234 1.00 0.00 C ATOM 1351 CE1 PHE A 91 3.255 9.995 4.931 1.00 0.00 C ATOM 1352 CE2 PHE A 91 4.842 8.849 6.360 1.00 0.00 C ATOM 1353 CZ PHE A 91 3.675 9.607 6.208 1.00 0.00 C ATOM 0 H PHE A 91 7.212 6.599 4.089 1.00 0.00 H new ATOM 0 HA PHE A 91 4.803 6.702 2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.020 8.736 2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.622 9.018 1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.674 9.925 2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.488 7.892 5.352 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.355 10.581 4.814 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.167 8.550 7.346 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.099 9.892 7.076 1.00 0.00 H new ATOM 1363 N LEU A 92 6.309 7.102 0.137 1.00 0.00 N ATOM 1364 CA LEU A 92 7.133 6.845 -1.061 1.00 0.00 C ATOM 1365 C LEU A 92 8.594 7.133 -0.701 1.00 0.00 C ATOM 1366 O LEU A 92 8.911 7.542 0.398 1.00 0.00 O ATOM 1367 CB LEU A 92 6.677 7.756 -2.211 1.00 0.00 C ATOM 1368 CG LEU A 92 5.185 8.094 -2.045 1.00 0.00 C ATOM 1369 CD1 LEU A 92 5.031 9.341 -1.164 1.00 0.00 C ATOM 1370 CD2 LEU A 92 4.551 8.367 -3.416 1.00 0.00 C ATOM 0 H LEU A 92 5.452 7.631 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 92 7.026 5.809 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.268 8.672 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.843 7.261 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 92 4.684 7.247 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.973 9.577 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.469 9.151 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.542 10.183 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.495 8.605 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.058 9.208 -3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.649 7.482 -4.045 1.00 0.00 H new ATOM 1382 N GLU A 93 9.479 6.916 -1.607 1.00 0.00 N ATOM 1383 CA GLU A 93 10.919 7.157 -1.308 1.00 0.00 C ATOM 1384 C GLU A 93 11.195 8.663 -1.251 1.00 0.00 C ATOM 1385 O GLU A 93 12.312 9.088 -1.038 1.00 0.00 O ATOM 1386 CB GLU A 93 11.796 6.491 -2.374 1.00 0.00 C ATOM 1387 CG GLU A 93 11.206 6.724 -3.768 1.00 0.00 C ATOM 1388 CD GLU A 93 11.788 5.701 -4.746 1.00 0.00 C ATOM 1389 OE1 GLU A 93 11.014 4.951 -5.318 1.00 0.00 O ATOM 1390 OE2 GLU A 93 12.998 5.684 -4.906 1.00 0.00 O ATOM 0 H GLU A 93 9.280 6.581 -2.549 1.00 0.00 H new ATOM 0 HA GLU A 93 11.160 6.721 -0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.807 6.895 -2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.871 5.422 -2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.120 6.634 -3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.432 7.735 -4.106 1.00 0.00 H new ATOM 1397 N GLN A 94 10.180 9.468 -1.423 1.00 0.00 N ATOM 1398 CA GLN A 94 10.366 10.952 -1.364 1.00 0.00 C ATOM 1399 C GLN A 94 11.291 11.421 -2.492 1.00 0.00 C ATOM 1400 O GLN A 94 11.160 12.521 -2.991 1.00 0.00 O ATOM 1401 CB GLN A 94 10.971 11.343 -0.013 1.00 0.00 C ATOM 1402 CG GLN A 94 10.267 10.574 1.107 1.00 0.00 C ATOM 1403 CD GLN A 94 10.615 11.204 2.457 1.00 0.00 C ATOM 1404 OE1 GLN A 94 9.789 11.852 3.070 1.00 0.00 O ATOM 1405 NE2 GLN A 94 11.813 11.043 2.949 1.00 0.00 N ATOM 0 H GLN A 94 9.224 9.162 -1.603 1.00 0.00 H new ATOM 0 HA GLN A 94 9.394 11.430 -1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.038 11.123 -0.004 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.866 12.416 0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.188 10.593 0.953 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.573 9.528 1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.507 10.499 2.435 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.056 11.461 3.847 1.00 0.00 H new