USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1104 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 63 CYS SG : rot -46:sc= 0.056 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 155:sc= 1.22 (180deg=0.568) USER MOD Set 2.1: A 10 MET CE :methyl -113:sc= -3.12 (180deg=-2.24) USER MOD Set 2.2: A 51 HIS : no HD1:sc= -1.5 K(o=-4.6,f=-5.8) USER MOD Set 3.1: A 37 GLN : amide:sc= -2.12 K(o=-3.7,f=2.1) USER MOD Set 3.2: A 40 LYS NZ :NH3+ 159:sc= -1.59 (180deg=0) USER MOD Set 4.1: A 22 SER OG : rot -53:sc= 0.374 USER MOD Set 4.2: A 34 LYS NZ :NH3+ 137:sc= -0.403 (180deg=-2.19) USER MOD Set 5.1: A 17 ASN : amide:sc= -1.02 K(o=-1,f=-0.12) USER MOD Set 5.2: A 55 SER OG : rot 140:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 73:sc= 0.755 USER MOD Single : A 18 SER OG : rot 72:sc= 0.102 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.0315 K(o=0.031,f=-2.4!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0299) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 161:sc= -1.03 (180deg=-1.48) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 77:sc= 0.192 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -54:sc= 0.815 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -2.03 K(o=-2,f=-0.95) USER MOD Single : A 82 SER OG : rot 140:sc= -0.0977 USER MOD Single : A 84 HIS : no HD1:sc= -1.96 K(o=-2,f=-0.47) USER MOD Single : A 85 GLN : amide:sc= -3.19! C(o=-3.2!,f=-1.8!) USER MOD Single : A 98 SER OG : rot 76:sc= 1.22 USER MOD Single : A 99 ASN : amide:sc= -1.9! X(o=-1.9!,f=-2.3) USER MOD Single : A 100 ASN : amide:sc= 0.711 K(o=0.71,f=-3.4!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 161:sc= -0.852 USER MOD Single : A 106 GLN : amide:sc= 0.351 K(o=0.35,f=-0.87) USER MOD Single : A 107 ASN : amide:sc= -0.942 K(o=-0.94,f=-2) USER MOD Single : A 109 TYR OH : rot -116:sc= 1.16 USER MOD Single : A 111 CYS SG : rot -77:sc= 1.29 USER MOD Single : A 116 LYS NZ :NH3+ -165:sc= 1.21 (180deg=1.1) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 ASN : amide:sc= 0.815 K(o=0.82,f=0) USER MOD Single : A 130 ASN : amide:sc= 0.0314 X(o=0.031,f=0) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 138 GLN : amide:sc= 0.56 K(o=0.56,f=-0.24) USER MOD Single : A 143 MET CE :methyl -165:sc= -4.4! (180deg=-5.54!) USER MOD ----------------------------------------------------------------- ATOM 92 N MET A 10 -16.734 11.799 2.201 1.00 0.00 N ATOM 93 CA MET A 10 -15.520 11.079 1.836 1.00 0.00 C ATOM 94 C MET A 10 -15.853 9.802 1.071 1.00 0.00 C ATOM 95 O MET A 10 -15.311 8.736 1.360 1.00 0.00 O ATOM 96 CB MET A 10 -14.707 10.740 3.088 1.00 0.00 C ATOM 97 CG MET A 10 -14.305 11.960 3.900 1.00 0.00 C ATOM 98 SD MET A 10 -13.238 11.546 5.293 1.00 0.00 S ATOM 99 CE MET A 10 -11.891 10.716 4.453 1.00 0.00 C ATOM 0 HA MET A 10 -14.926 11.724 1.189 1.00 0.00 H new ATOM 0 HB2 MET A 10 -15.290 10.070 3.719 1.00 0.00 H new ATOM 0 HB3 MET A 10 -13.809 10.198 2.792 1.00 0.00 H new ATOM 0 HG2 MET A 10 -13.791 12.670 3.252 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.202 12.457 4.269 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.882 9.662 4.732 1.00 0.00 H new ATOM 0 HE2 MET A 10 -12.025 10.805 3.375 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.945 11.175 4.740 1.00 0.00 H new ATOM 109 N GLU A 11 -16.747 9.919 0.095 1.00 0.00 N ATOM 110 CA GLU A 11 -17.153 8.773 -0.711 1.00 0.00 C ATOM 111 C GLU A 11 -15.979 8.239 -1.527 1.00 0.00 C ATOM 112 O GLU A 11 -15.777 7.030 -1.625 1.00 0.00 O ATOM 113 CB GLU A 11 -18.303 9.158 -1.643 1.00 0.00 C ATOM 114 CG GLU A 11 -18.865 7.987 -2.432 1.00 0.00 C ATOM 115 CD GLU A 11 -20.185 8.315 -3.102 1.00 0.00 C ATOM 116 OE1 GLU A 11 -20.207 9.230 -3.952 1.00 0.00 O ATOM 117 OE2 GLU A 11 -21.196 7.658 -2.777 1.00 0.00 O ATOM 0 H GLU A 11 -17.204 10.795 -0.157 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.491 7.987 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.103 9.605 -1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.955 9.921 -2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.142 7.684 -3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.002 7.136 -1.764 1.00 0.00 H new ATOM 124 N ALA A 12 -15.209 9.151 -2.111 1.00 0.00 N ATOM 125 CA ALA A 12 -14.055 8.774 -2.917 1.00 0.00 C ATOM 126 C ALA A 12 -13.149 7.807 -2.161 1.00 0.00 C ATOM 127 O ALA A 12 -12.776 6.755 -2.680 1.00 0.00 O ATOM 128 CB ALA A 12 -13.276 10.011 -3.337 1.00 0.00 C ATOM 0 H ALA A 12 -15.364 10.157 -2.041 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.418 8.267 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.417 9.713 -3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.921 10.665 -3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.931 10.542 -2.450 1.00 0.00 H new ATOM 134 N VAL A 13 -12.799 8.172 -0.932 1.00 0.00 N ATOM 135 CA VAL A 13 -11.937 7.337 -0.104 1.00 0.00 C ATOM 136 C VAL A 13 -12.544 5.953 0.101 1.00 0.00 C ATOM 137 O VAL A 13 -12.039 4.958 -0.418 1.00 0.00 O ATOM 138 CB VAL A 13 -11.683 7.982 1.271 1.00 0.00 C ATOM 139 CG1 VAL A 13 -10.872 7.049 2.158 1.00 0.00 C ATOM 140 CG2 VAL A 13 -10.980 9.321 1.109 1.00 0.00 C ATOM 0 H VAL A 13 -13.099 9.040 -0.488 1.00 0.00 H new ATOM 0 HA VAL A 13 -10.989 7.240 -0.633 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.645 8.158 1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.703 7.522 3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.418 6.117 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.913 6.839 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.808 9.763 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.025 9.172 0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.603 9.989 0.514 1.00 0.00 H new ATOM 150 N LYS A 14 -13.632 5.898 0.861 1.00 0.00 N ATOM 151 CA LYS A 14 -14.312 4.637 1.134 1.00 0.00 C ATOM 152 C LYS A 14 -14.219 3.698 -0.064 1.00 0.00 C ATOM 153 O LYS A 14 -14.024 2.492 0.092 1.00 0.00 O ATOM 154 CB LYS A 14 -15.780 4.890 1.485 1.00 0.00 C ATOM 155 CG LYS A 14 -15.970 5.790 2.693 1.00 0.00 C ATOM 156 CD LYS A 14 -17.316 6.494 2.658 1.00 0.00 C ATOM 157 CE LYS A 14 -17.279 7.807 3.424 1.00 0.00 C ATOM 158 NZ LYS A 14 -17.524 7.608 4.879 1.00 0.00 N ATOM 0 H LYS A 14 -14.062 6.712 1.299 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.819 4.164 1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.278 5.339 0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.270 3.935 1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.892 5.198 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.171 6.531 2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.602 6.683 1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -18.079 5.844 3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.309 8.283 3.281 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.030 8.485 3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.491 8.527 5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.460 7.177 5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.793 6.982 5.272 1.00 0.00 H new ATOM 172 N THR A 15 -14.358 4.258 -1.262 1.00 0.00 N ATOM 173 CA THR A 15 -14.290 3.472 -2.487 1.00 0.00 C ATOM 174 C THR A 15 -12.922 2.818 -2.645 1.00 0.00 C ATOM 175 O THR A 15 -12.821 1.613 -2.876 1.00 0.00 O ATOM 176 CB THR A 15 -14.579 4.337 -3.727 1.00 0.00 C ATOM 177 OG1 THR A 15 -15.878 4.930 -3.619 1.00 0.00 O ATOM 178 CG2 THR A 15 -14.500 3.505 -4.998 1.00 0.00 C ATOM 0 H THR A 15 -14.519 5.254 -1.409 1.00 0.00 H new ATOM 0 HA THR A 15 -15.053 2.698 -2.408 1.00 0.00 H new ATOM 0 HB THR A 15 -13.825 5.122 -3.778 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.858 5.642 -2.946 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.708 4.138 -5.861 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.501 3.079 -5.093 1.00 0.00 H new ATOM 0 HG23 THR A 15 -15.234 2.701 -4.953 1.00 0.00 H new ATOM 186 N PHE A 16 -11.870 3.620 -2.518 1.00 0.00 N ATOM 187 CA PHE A 16 -10.506 3.119 -2.647 1.00 0.00 C ATOM 188 C PHE A 16 -10.165 2.170 -1.502 1.00 0.00 C ATOM 189 O PHE A 16 -9.453 1.185 -1.690 1.00 0.00 O ATOM 190 CB PHE A 16 -9.513 4.283 -2.673 1.00 0.00 C ATOM 191 CG PHE A 16 -8.078 3.848 -2.591 1.00 0.00 C ATOM 192 CD1 PHE A 16 -7.508 3.521 -1.372 1.00 0.00 C ATOM 193 CD2 PHE A 16 -7.298 3.767 -3.734 1.00 0.00 C ATOM 194 CE1 PHE A 16 -6.187 3.120 -1.293 1.00 0.00 C ATOM 195 CE2 PHE A 16 -5.978 3.367 -3.661 1.00 0.00 C ATOM 196 CZ PHE A 16 -5.421 3.044 -2.439 1.00 0.00 C ATOM 0 H PHE A 16 -11.936 4.620 -2.326 1.00 0.00 H new ATOM 0 HA PHE A 16 -10.435 2.569 -3.585 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.659 4.855 -3.589 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.729 4.953 -1.841 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.102 3.580 -0.472 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.727 4.019 -4.692 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.755 2.867 -0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.381 3.307 -4.559 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.389 2.733 -2.380 1.00 0.00 H new ATOM 206 N ASN A 17 -10.679 2.476 -0.315 1.00 0.00 N ATOM 207 CA ASN A 17 -10.428 1.651 0.862 1.00 0.00 C ATOM 208 C ASN A 17 -10.845 0.205 0.612 1.00 0.00 C ATOM 209 O ASN A 17 -10.351 -0.716 1.262 1.00 0.00 O ATOM 210 CB ASN A 17 -11.181 2.209 2.071 1.00 0.00 C ATOM 211 CG ASN A 17 -10.350 3.201 2.862 1.00 0.00 C ATOM 212 OD1 ASN A 17 -10.185 3.063 4.074 1.00 0.00 O ATOM 213 ND2 ASN A 17 -9.822 4.209 2.177 1.00 0.00 N ATOM 0 H ASN A 17 -11.271 3.288 -0.142 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.358 1.671 1.068 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.097 2.694 1.733 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.478 1.387 2.722 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.254 4.908 2.655 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.985 4.284 1.173 1.00 0.00 H new ATOM 220 N SER A 18 -11.758 0.014 -0.336 1.00 0.00 N ATOM 221 CA SER A 18 -12.245 -1.319 -0.670 1.00 0.00 C ATOM 222 C SER A 18 -11.361 -1.971 -1.729 1.00 0.00 C ATOM 223 O SER A 18 -10.943 -3.119 -1.582 1.00 0.00 O ATOM 224 CB SER A 18 -13.689 -1.248 -1.169 1.00 0.00 C ATOM 225 OG SER A 18 -14.536 -0.659 -0.197 1.00 0.00 O ATOM 0 H SER A 18 -12.175 0.765 -0.886 1.00 0.00 H new ATOM 0 HA SER A 18 -12.210 -1.928 0.233 1.00 0.00 H new ATOM 0 HB2 SER A 18 -13.730 -0.668 -2.091 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.045 -2.251 -1.406 1.00 0.00 H new ATOM 0 HG SER A 18 -14.348 0.301 -0.138 1.00 0.00 H new ATOM 231 N GLU A 19 -11.081 -1.228 -2.795 1.00 0.00 N ATOM 232 CA GLU A 19 -10.247 -1.734 -3.880 1.00 0.00 C ATOM 233 C GLU A 19 -8.835 -2.036 -3.385 1.00 0.00 C ATOM 234 O GLU A 19 -8.219 -3.020 -3.796 1.00 0.00 O ATOM 235 CB GLU A 19 -10.192 -0.721 -5.025 1.00 0.00 C ATOM 236 CG GLU A 19 -11.558 -0.214 -5.456 1.00 0.00 C ATOM 237 CD GLU A 19 -12.361 -1.264 -6.200 1.00 0.00 C ATOM 238 OE1 GLU A 19 -12.068 -1.500 -7.391 1.00 0.00 O ATOM 239 OE2 GLU A 19 -13.282 -1.848 -5.593 1.00 0.00 O ATOM 0 H GLU A 19 -11.419 -0.275 -2.931 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.692 -2.660 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.579 0.127 -4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.697 -1.180 -5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.116 0.109 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.432 0.661 -6.093 1.00 0.00 H new ATOM 246 N LEU A 20 -8.329 -1.183 -2.501 1.00 0.00 N ATOM 247 CA LEU A 20 -6.990 -1.357 -1.950 1.00 0.00 C ATOM 248 C LEU A 20 -6.809 -2.766 -1.394 1.00 0.00 C ATOM 249 O LEU A 20 -5.905 -3.495 -1.804 1.00 0.00 O ATOM 250 CB LEU A 20 -6.731 -0.326 -0.851 1.00 0.00 C ATOM 251 CG LEU A 20 -5.279 -0.178 -0.397 1.00 0.00 C ATOM 252 CD1 LEU A 20 -4.931 -1.239 0.635 1.00 0.00 C ATOM 253 CD2 LEU A 20 -4.336 -0.262 -1.589 1.00 0.00 C ATOM 0 H LEU A 20 -8.826 -0.364 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.271 -1.209 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.082 0.645 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.337 -0.589 0.016 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.162 0.802 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.893 -1.117 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.584 -1.132 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.065 -2.229 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.307 -0.155 -1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.456 -1.227 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.569 0.536 -2.294 1.00 0.00 H new ATOM 265 N TYR A 21 -7.675 -3.143 -0.460 1.00 0.00 N ATOM 266 CA TYR A 21 -7.611 -4.465 0.152 1.00 0.00 C ATOM 267 C TYR A 21 -8.133 -5.534 -0.803 1.00 0.00 C ATOM 268 O TYR A 21 -7.696 -6.684 -0.764 1.00 0.00 O ATOM 269 CB TYR A 21 -8.418 -4.488 1.451 1.00 0.00 C ATOM 270 CG TYR A 21 -7.752 -3.751 2.591 1.00 0.00 C ATOM 271 CD1 TYR A 21 -7.681 -2.363 2.599 1.00 0.00 C ATOM 272 CD2 TYR A 21 -7.194 -4.441 3.660 1.00 0.00 C ATOM 273 CE1 TYR A 21 -7.073 -1.685 3.638 1.00 0.00 C ATOM 274 CE2 TYR A 21 -6.585 -3.771 4.703 1.00 0.00 C ATOM 275 CZ TYR A 21 -6.527 -2.393 4.688 1.00 0.00 C ATOM 276 OH TYR A 21 -5.920 -1.723 5.725 1.00 0.00 O ATOM 0 H TYR A 21 -8.429 -2.552 -0.110 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.567 -4.683 0.376 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.398 -4.047 1.268 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.585 -5.524 1.747 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.108 -1.805 1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.237 -5.520 3.676 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.026 -0.606 3.628 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.156 -4.323 5.526 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.589 -2.369 6.383 1.00 0.00 H new ATOM 286 N SER A 22 -9.071 -5.145 -1.660 1.00 0.00 N ATOM 287 CA SER A 22 -9.656 -6.070 -2.624 1.00 0.00 C ATOM 288 C SER A 22 -8.588 -6.980 -3.221 1.00 0.00 C ATOM 289 O SER A 22 -8.869 -8.114 -3.612 1.00 0.00 O ATOM 290 CB SER A 22 -10.365 -5.297 -3.738 1.00 0.00 C ATOM 291 OG SER A 22 -9.451 -4.904 -4.747 1.00 0.00 O ATOM 0 H SER A 22 -9.442 -4.196 -1.707 1.00 0.00 H new ATOM 0 HA SER A 22 -10.384 -6.689 -2.101 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.148 -5.917 -4.174 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.852 -4.416 -3.320 1.00 0.00 H new ATOM 0 HG SER A 22 -8.699 -4.425 -4.339 1.00 0.00 H new ATOM 297 N LEU A 23 -7.361 -6.476 -3.289 1.00 0.00 N ATOM 298 CA LEU A 23 -6.248 -7.243 -3.838 1.00 0.00 C ATOM 299 C LEU A 23 -6.292 -8.689 -3.355 1.00 0.00 C ATOM 300 O LEU A 23 -5.981 -9.614 -4.105 1.00 0.00 O ATOM 301 CB LEU A 23 -4.916 -6.602 -3.442 1.00 0.00 C ATOM 302 CG LEU A 23 -4.457 -5.424 -4.303 1.00 0.00 C ATOM 303 CD1 LEU A 23 -3.196 -4.801 -3.725 1.00 0.00 C ATOM 304 CD2 LEU A 23 -4.222 -5.872 -5.738 1.00 0.00 C ATOM 0 H LEU A 23 -7.111 -5.540 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.338 -7.239 -4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.991 -6.264 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.143 -7.370 -3.470 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.244 -4.670 -4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.884 -3.965 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.397 -4.444 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.402 -5.547 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.896 -5.021 -6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.453 -6.644 -5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.148 -6.272 -6.151 1.00 0.00 H new ATOM 316 N ASN A 24 -6.683 -8.876 -2.099 1.00 0.00 N ATOM 317 CA ASN A 24 -6.770 -10.211 -1.517 1.00 0.00 C ATOM 318 C ASN A 24 -7.418 -11.189 -2.492 1.00 0.00 C ATOM 319 O ASN A 24 -6.926 -12.300 -2.692 1.00 0.00 O ATOM 320 CB ASN A 24 -7.568 -10.169 -0.212 1.00 0.00 C ATOM 321 CG ASN A 24 -6.710 -9.793 0.980 1.00 0.00 C ATOM 322 OD1 ASN A 24 -6.177 -10.659 1.673 1.00 0.00 O ATOM 323 ND2 ASN A 24 -6.572 -8.495 1.223 1.00 0.00 N ATOM 0 H ASN A 24 -6.945 -8.121 -1.465 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.758 -10.555 -1.305 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.382 -9.451 -0.311 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.022 -11.144 -0.036 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.006 -8.181 2.011 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.032 -7.812 0.622 1.00 0.00 H new ATOM 330 N ASP A 25 -8.523 -10.768 -3.096 1.00 0.00 N ATOM 331 CA ASP A 25 -9.238 -11.606 -4.052 1.00 0.00 C ATOM 332 C ASP A 25 -8.282 -12.183 -5.090 1.00 0.00 C ATOM 333 O ASP A 25 -8.393 -13.349 -5.471 1.00 0.00 O ATOM 334 CB ASP A 25 -10.338 -10.800 -4.746 1.00 0.00 C ATOM 335 CG ASP A 25 -11.638 -10.803 -3.965 1.00 0.00 C ATOM 336 OD1 ASP A 25 -11.848 -11.740 -3.167 1.00 0.00 O ATOM 337 OD2 ASP A 25 -12.445 -9.868 -4.153 1.00 0.00 O ATOM 0 H ASP A 25 -8.943 -9.852 -2.941 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.693 -12.432 -3.505 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.001 -9.772 -4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.514 -11.211 -5.740 1.00 0.00 H new ATOM 342 N TYR A 26 -7.344 -11.360 -5.546 1.00 0.00 N ATOM 343 CA TYR A 26 -6.370 -11.788 -6.543 1.00 0.00 C ATOM 344 C TYR A 26 -5.016 -12.067 -5.897 1.00 0.00 C ATOM 345 O TYR A 26 -4.632 -11.417 -4.924 1.00 0.00 O ATOM 346 CB TYR A 26 -6.219 -10.722 -7.629 1.00 0.00 C ATOM 347 CG TYR A 26 -7.509 -10.003 -7.955 1.00 0.00 C ATOM 348 CD1 TYR A 26 -7.995 -8.998 -7.127 1.00 0.00 C ATOM 349 CD2 TYR A 26 -8.241 -10.328 -9.090 1.00 0.00 C ATOM 350 CE1 TYR A 26 -9.173 -8.339 -7.421 1.00 0.00 C ATOM 351 CE2 TYR A 26 -9.419 -9.673 -9.392 1.00 0.00 C ATOM 352 CZ TYR A 26 -9.882 -8.680 -8.554 1.00 0.00 C ATOM 353 OH TYR A 26 -11.055 -8.025 -8.850 1.00 0.00 O ATOM 0 H TYR A 26 -7.238 -10.393 -5.241 1.00 0.00 H new ATOM 0 HA TYR A 26 -6.733 -12.710 -6.996 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.477 -9.991 -7.308 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.835 -11.190 -8.535 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.443 -8.728 -6.239 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.883 -11.106 -9.748 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.537 -7.561 -6.767 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.975 -9.937 -10.280 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.429 -8.384 -9.682 1.00 0.00 H new ATOM 363 N LYS A 27 -4.295 -13.038 -6.446 1.00 0.00 N ATOM 364 CA LYS A 27 -2.982 -13.404 -5.928 1.00 0.00 C ATOM 365 C LYS A 27 -1.876 -12.936 -6.868 1.00 0.00 C ATOM 366 O LYS A 27 -1.970 -13.064 -8.089 1.00 0.00 O ATOM 367 CB LYS A 27 -2.892 -14.920 -5.732 1.00 0.00 C ATOM 368 CG LYS A 27 -4.041 -15.498 -4.924 1.00 0.00 C ATOM 369 CD LYS A 27 -4.111 -17.010 -5.057 1.00 0.00 C ATOM 370 CE LYS A 27 -5.287 -17.583 -4.281 1.00 0.00 C ATOM 371 NZ LYS A 27 -6.588 -17.274 -4.936 1.00 0.00 N ATOM 0 H LYS A 27 -4.598 -13.587 -7.251 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.849 -12.911 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.866 -15.403 -6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.952 -15.158 -5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.920 -15.229 -3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.980 -15.058 -5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.201 -17.280 -6.109 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.183 -17.452 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.172 -18.663 -4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.285 -17.179 -3.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.355 -17.766 -4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.757 -16.248 -4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.562 -17.592 -5.926 1.00 0.00 H new ATOM 385 N PRO A 28 -0.801 -12.381 -6.288 1.00 0.00 N ATOM 386 CA PRO A 28 0.345 -11.885 -7.056 1.00 0.00 C ATOM 387 C PRO A 28 0.824 -12.891 -8.097 1.00 0.00 C ATOM 388 O PRO A 28 0.965 -14.083 -7.826 1.00 0.00 O ATOM 389 CB PRO A 28 1.420 -11.667 -5.989 1.00 0.00 C ATOM 390 CG PRO A 28 0.660 -11.429 -4.729 1.00 0.00 C ATOM 391 CD PRO A 28 -0.621 -12.197 -4.838 1.00 0.00 C ATOM 0 HA PRO A 28 0.098 -10.986 -7.621 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.072 -12.536 -5.900 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.055 -10.816 -6.235 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.235 -11.759 -3.864 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.462 -10.366 -4.593 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.559 -13.153 -4.319 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.454 -11.649 -4.398 1.00 0.00 H new ATOM 399 N PRO A 29 1.083 -12.401 -9.319 1.00 0.00 N ATOM 400 CA PRO A 29 0.919 -10.983 -9.655 1.00 0.00 C ATOM 401 C PRO A 29 -0.546 -10.561 -9.688 1.00 0.00 C ATOM 402 O PRO A 29 -1.443 -11.403 -9.736 1.00 0.00 O ATOM 403 CB PRO A 29 1.538 -10.875 -11.050 1.00 0.00 C ATOM 404 CG PRO A 29 1.418 -12.244 -11.625 1.00 0.00 C ATOM 405 CD PRO A 29 1.554 -13.193 -10.467 1.00 0.00 C ATOM 0 HA PRO A 29 1.386 -10.332 -8.915 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.012 -10.142 -11.661 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.579 -10.558 -10.997 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.459 -12.374 -12.126 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.193 -12.424 -12.370 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.952 -14.090 -10.610 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.586 -13.519 -10.334 1.00 0.00 H new ATOM 413 N ILE A 30 -0.781 -9.254 -9.663 1.00 0.00 N ATOM 414 CA ILE A 30 -2.137 -8.721 -9.692 1.00 0.00 C ATOM 415 C ILE A 30 -2.536 -8.309 -11.105 1.00 0.00 C ATOM 416 O ILE A 30 -1.796 -7.603 -11.790 1.00 0.00 O ATOM 417 CB ILE A 30 -2.286 -7.508 -8.755 1.00 0.00 C ATOM 418 CG1 ILE A 30 -2.039 -7.923 -7.304 1.00 0.00 C ATOM 419 CG2 ILE A 30 -3.667 -6.887 -8.907 1.00 0.00 C ATOM 420 CD1 ILE A 30 -2.887 -9.094 -6.858 1.00 0.00 C ATOM 0 H ILE A 30 -0.050 -8.544 -9.623 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.796 -9.518 -9.348 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.541 -6.761 -9.031 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.987 -8.179 -7.182 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.237 -7.072 -6.652 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.757 -6.031 -8.238 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.807 -6.559 -9.937 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.428 -7.626 -8.655 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.659 -9.333 -5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.942 -8.834 -6.948 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.672 -9.959 -7.485 1.00 0.00 H new ATOM 432 N SER A 31 -3.712 -8.755 -11.536 1.00 0.00 N ATOM 433 CA SER A 31 -4.210 -8.435 -12.869 1.00 0.00 C ATOM 434 C SER A 31 -3.910 -6.982 -13.226 1.00 0.00 C ATOM 435 O SER A 31 -4.348 -6.058 -12.540 1.00 0.00 O ATOM 436 CB SER A 31 -5.716 -8.691 -12.949 1.00 0.00 C ATOM 437 OG SER A 31 -5.997 -10.080 -12.949 1.00 0.00 O ATOM 0 H SER A 31 -4.338 -9.339 -10.981 1.00 0.00 H new ATOM 0 HA SER A 31 -3.701 -9.080 -13.585 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.214 -8.216 -12.104 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.118 -8.235 -13.854 1.00 0.00 H new ATOM 0 HG SER A 31 -6.966 -10.218 -12.999 1.00 0.00 H new ATOM 443 N LYS A 32 -3.159 -6.788 -14.305 1.00 0.00 N ATOM 444 CA LYS A 32 -2.800 -5.449 -14.757 1.00 0.00 C ATOM 445 C LYS A 32 -4.001 -4.511 -14.687 1.00 0.00 C ATOM 446 O LYS A 32 -3.871 -3.348 -14.304 1.00 0.00 O ATOM 447 CB LYS A 32 -2.261 -5.499 -16.188 1.00 0.00 C ATOM 448 CG LYS A 32 -0.799 -5.899 -16.274 1.00 0.00 C ATOM 449 CD LYS A 32 -0.348 -6.062 -17.716 1.00 0.00 C ATOM 450 CE LYS A 32 -0.899 -7.339 -18.331 1.00 0.00 C ATOM 451 NZ LYS A 32 -1.093 -7.208 -19.802 1.00 0.00 N ATOM 0 H LYS A 32 -2.787 -7.542 -14.883 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.023 -5.066 -14.096 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.857 -6.205 -16.767 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.389 -4.520 -16.650 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.185 -5.144 -15.783 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.645 -6.834 -15.736 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.678 -5.203 -18.301 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.741 -6.077 -17.758 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.217 -8.164 -18.127 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.850 -7.588 -17.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.470 -8.099 -20.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.764 -6.437 -19.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.181 -6.996 -20.255 1.00 0.00 H new ATOM 465 N ALA A 33 -5.169 -5.024 -15.058 1.00 0.00 N ATOM 466 CA ALA A 33 -6.393 -4.233 -15.034 1.00 0.00 C ATOM 467 C ALA A 33 -6.791 -3.881 -13.604 1.00 0.00 C ATOM 468 O ALA A 33 -7.265 -2.777 -13.335 1.00 0.00 O ATOM 469 CB ALA A 33 -7.521 -4.983 -15.728 1.00 0.00 C ATOM 0 H ALA A 33 -5.294 -5.984 -15.379 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.206 -3.303 -15.571 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.429 -4.380 -15.702 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.245 -5.179 -16.764 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.699 -5.928 -15.215 1.00 0.00 H new ATOM 475 N LYS A 34 -6.597 -4.826 -12.691 1.00 0.00 N ATOM 476 CA LYS A 34 -6.934 -4.617 -11.288 1.00 0.00 C ATOM 477 C LYS A 34 -6.203 -3.401 -10.728 1.00 0.00 C ATOM 478 O LYS A 34 -6.825 -2.481 -10.198 1.00 0.00 O ATOM 479 CB LYS A 34 -6.583 -5.859 -10.467 1.00 0.00 C ATOM 480 CG LYS A 34 -6.599 -5.621 -8.967 1.00 0.00 C ATOM 481 CD LYS A 34 -7.999 -5.307 -8.467 1.00 0.00 C ATOM 482 CE LYS A 34 -7.966 -4.362 -7.275 1.00 0.00 C ATOM 483 NZ LYS A 34 -9.183 -3.505 -7.213 1.00 0.00 N ATOM 0 H LYS A 34 -6.207 -5.746 -12.898 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.007 -4.437 -11.221 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.288 -6.655 -10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.594 -6.210 -10.760 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.218 -6.504 -8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.930 -4.796 -8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.582 -4.859 -9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.502 -6.232 -8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.882 -4.941 -6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.080 -3.730 -7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.521 -3.453 -6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.952 -2.549 -7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.927 -3.914 -7.814 1.00 0.00 H new ATOM 497 N MET A 35 -4.880 -3.403 -10.851 1.00 0.00 N ATOM 498 CA MET A 35 -4.065 -2.298 -10.359 1.00 0.00 C ATOM 499 C MET A 35 -4.670 -0.956 -10.760 1.00 0.00 C ATOM 500 O MET A 35 -4.549 0.032 -10.036 1.00 0.00 O ATOM 501 CB MET A 35 -2.638 -2.409 -10.899 1.00 0.00 C ATOM 502 CG MET A 35 -1.712 -3.221 -10.008 1.00 0.00 C ATOM 503 SD MET A 35 -1.296 -2.366 -8.476 1.00 0.00 S ATOM 504 CE MET A 35 -1.191 -3.744 -7.337 1.00 0.00 C ATOM 0 H MET A 35 -4.349 -4.157 -11.287 1.00 0.00 H new ATOM 0 HA MET A 35 -4.039 -2.354 -9.271 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.667 -2.864 -11.889 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.226 -1.407 -11.021 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.186 -4.174 -9.771 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.796 -3.448 -10.553 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.627 -3.444 -6.454 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.195 -4.048 -7.040 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.687 -4.580 -7.823 1.00 0.00 H new ATOM 514 N THR A 36 -5.321 -0.928 -11.919 1.00 0.00 N ATOM 515 CA THR A 36 -5.943 0.293 -12.416 1.00 0.00 C ATOM 516 C THR A 36 -7.245 0.586 -11.679 1.00 0.00 C ATOM 517 O THR A 36 -7.556 1.741 -11.388 1.00 0.00 O ATOM 518 CB THR A 36 -6.231 0.201 -13.927 1.00 0.00 C ATOM 519 OG1 THR A 36 -5.010 0.316 -14.666 1.00 0.00 O ATOM 520 CG2 THR A 36 -7.197 1.293 -14.361 1.00 0.00 C ATOM 0 H THR A 36 -5.431 -1.737 -12.531 1.00 0.00 H new ATOM 0 HA THR A 36 -5.237 1.104 -12.236 1.00 0.00 H new ATOM 0 HB THR A 36 -6.688 -0.768 -14.129 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.201 0.255 -15.625 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.385 1.208 -15.431 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.136 1.185 -13.818 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.763 2.269 -14.145 1.00 0.00 H new ATOM 528 N GLN A 37 -8.000 -0.466 -11.380 1.00 0.00 N ATOM 529 CA GLN A 37 -9.269 -0.319 -10.677 1.00 0.00 C ATOM 530 C GLN A 37 -9.079 0.430 -9.362 1.00 0.00 C ATOM 531 O GLN A 37 -9.937 1.212 -8.952 1.00 0.00 O ATOM 532 CB GLN A 37 -9.890 -1.691 -10.410 1.00 0.00 C ATOM 533 CG GLN A 37 -10.422 -2.371 -11.661 1.00 0.00 C ATOM 534 CD GLN A 37 -11.783 -1.847 -12.077 1.00 0.00 C ATOM 535 OE1 GLN A 37 -12.810 -2.467 -11.801 1.00 0.00 O ATOM 536 NE2 GLN A 37 -11.797 -0.699 -12.744 1.00 0.00 N ATOM 0 H GLN A 37 -7.755 -1.428 -11.613 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.941 0.260 -11.310 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.143 -2.335 -9.946 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -10.704 -1.579 -9.693 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.715 -2.224 -12.478 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.488 -3.445 -11.486 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.921 -0.219 -12.951 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.683 -0.297 -13.049 1.00 0.00 H new ATOM 545 N ILE A 38 -7.950 0.185 -8.705 1.00 0.00 N ATOM 546 CA ILE A 38 -7.648 0.837 -7.437 1.00 0.00 C ATOM 547 C ILE A 38 -7.196 2.277 -7.653 1.00 0.00 C ATOM 548 O ILE A 38 -7.708 3.203 -7.022 1.00 0.00 O ATOM 549 CB ILE A 38 -6.554 0.079 -6.661 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.835 -1.425 -6.678 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.469 0.591 -5.231 1.00 0.00 C ATOM 552 CD1 ILE A 38 -5.826 -2.237 -5.898 1.00 0.00 C ATOM 0 H ILE A 38 -7.230 -0.460 -9.030 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.568 0.831 -6.852 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.595 0.256 -7.148 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.829 -1.605 -6.268 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.848 -1.772 -7.711 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.692 0.046 -4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.227 1.654 -5.239 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.427 0.440 -4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.088 -3.294 -5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.833 -2.087 -6.321 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.829 -1.917 -4.856 1.00 0.00 H new ATOM 564 N THR A 39 -6.234 2.462 -8.552 1.00 0.00 N ATOM 565 CA THR A 39 -5.714 3.789 -8.854 1.00 0.00 C ATOM 566 C THR A 39 -6.843 4.766 -9.162 1.00 0.00 C ATOM 567 O THR A 39 -6.810 5.922 -8.742 1.00 0.00 O ATOM 568 CB THR A 39 -4.741 3.754 -10.047 1.00 0.00 C ATOM 569 OG1 THR A 39 -3.683 2.823 -9.790 1.00 0.00 O ATOM 570 CG2 THR A 39 -4.156 5.133 -10.310 1.00 0.00 C ATOM 0 H THR A 39 -5.799 1.708 -9.084 1.00 0.00 H new ATOM 0 HA THR A 39 -5.177 4.126 -7.967 1.00 0.00 H new ATOM 0 HB THR A 39 -5.296 3.438 -10.930 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.010 1.910 -9.929 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.472 5.083 -11.157 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.961 5.833 -10.535 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.615 5.473 -9.427 1.00 0.00 H new ATOM 578 N LYS A 40 -7.843 4.293 -9.898 1.00 0.00 N ATOM 579 CA LYS A 40 -8.985 5.123 -10.262 1.00 0.00 C ATOM 580 C LYS A 40 -9.693 5.650 -9.018 1.00 0.00 C ATOM 581 O LYS A 40 -10.064 6.821 -8.953 1.00 0.00 O ATOM 582 CB LYS A 40 -9.968 4.326 -11.123 1.00 0.00 C ATOM 583 CG LYS A 40 -9.366 3.821 -12.423 1.00 0.00 C ATOM 584 CD LYS A 40 -10.060 2.557 -12.903 1.00 0.00 C ATOM 585 CE LYS A 40 -11.212 2.876 -13.843 1.00 0.00 C ATOM 586 NZ LYS A 40 -12.297 1.860 -13.755 1.00 0.00 N ATOM 0 H LYS A 40 -7.886 3.338 -10.254 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.616 5.973 -10.836 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.335 3.476 -10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.830 4.953 -11.351 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.446 4.594 -13.187 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.304 3.623 -12.281 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.340 1.917 -13.413 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.433 1.998 -12.045 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.615 3.860 -13.603 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.842 2.925 -14.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.184 2.268 -14.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.042 1.030 -14.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.423 1.572 -12.764 1.00 0.00 H new ATOM 600 N ALA A 41 -9.876 4.777 -8.033 1.00 0.00 N ATOM 601 CA ALA A 41 -10.536 5.155 -6.789 1.00 0.00 C ATOM 602 C ALA A 41 -9.673 6.117 -5.980 1.00 0.00 C ATOM 603 O ALA A 41 -10.163 7.118 -5.460 1.00 0.00 O ATOM 604 CB ALA A 41 -10.863 3.917 -5.968 1.00 0.00 C ATOM 0 H ALA A 41 -9.576 3.803 -8.072 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.465 5.666 -7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.355 4.214 -5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.526 3.266 -6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.943 3.382 -5.734 1.00 0.00 H new ATOM 610 N ALA A 42 -8.385 5.806 -5.877 1.00 0.00 N ATOM 611 CA ALA A 42 -7.453 6.643 -5.132 1.00 0.00 C ATOM 612 C ALA A 42 -7.371 8.042 -5.733 1.00 0.00 C ATOM 613 O ALA A 42 -7.746 9.025 -5.093 1.00 0.00 O ATOM 614 CB ALA A 42 -6.075 6.000 -5.099 1.00 0.00 C ATOM 0 H ALA A 42 -7.963 4.980 -6.301 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.823 6.735 -4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.390 6.637 -4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.140 5.025 -4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.706 5.877 -6.117 1.00 0.00 H new ATOM 620 N ILE A 43 -6.879 8.124 -6.965 1.00 0.00 N ATOM 621 CA ILE A 43 -6.749 9.403 -7.651 1.00 0.00 C ATOM 622 C ILE A 43 -8.038 10.212 -7.555 1.00 0.00 C ATOM 623 O ILE A 43 -8.011 11.442 -7.514 1.00 0.00 O ATOM 624 CB ILE A 43 -6.386 9.211 -9.135 1.00 0.00 C ATOM 625 CG1 ILE A 43 -5.054 8.469 -9.265 1.00 0.00 C ATOM 626 CG2 ILE A 43 -6.320 10.556 -9.843 1.00 0.00 C ATOM 627 CD1 ILE A 43 -3.854 9.312 -8.896 1.00 0.00 C ATOM 0 H ILE A 43 -6.564 7.320 -7.508 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.944 9.946 -7.156 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.163 8.611 -9.609 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.076 7.585 -8.628 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.941 8.120 -10.291 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.062 10.403 -10.891 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.289 11.050 -9.776 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.561 11.179 -9.370 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.945 8.722 -9.012 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.807 10.183 -9.549 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.944 9.640 -7.860 1.00 0.00 H new ATOM 639 N LYS A 44 -9.168 9.513 -7.519 1.00 0.00 N ATOM 640 CA LYS A 44 -10.469 10.165 -7.425 1.00 0.00 C ATOM 641 C LYS A 44 -10.685 10.748 -6.033 1.00 0.00 C ATOM 642 O LYS A 44 -11.360 11.765 -5.874 1.00 0.00 O ATOM 643 CB LYS A 44 -11.585 9.170 -7.752 1.00 0.00 C ATOM 644 CG LYS A 44 -11.944 9.123 -9.227 1.00 0.00 C ATOM 645 CD LYS A 44 -12.918 10.228 -9.600 1.00 0.00 C ATOM 646 CE LYS A 44 -14.353 9.840 -9.276 1.00 0.00 C ATOM 647 NZ LYS A 44 -15.324 10.871 -9.735 1.00 0.00 N ATOM 0 H LYS A 44 -9.209 8.494 -7.554 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.493 10.980 -8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.279 8.175 -7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.474 9.432 -7.178 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.038 9.218 -9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.383 8.154 -9.465 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.657 11.141 -9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.831 10.447 -10.664 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.586 8.886 -9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.456 9.697 -8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.290 10.569 -9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.118 11.776 -9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.244 10.989 -10.765 1.00 0.00 H new ATOM 661 N ALA A 45 -10.108 10.098 -5.027 1.00 0.00 N ATOM 662 CA ALA A 45 -10.236 10.555 -3.649 1.00 0.00 C ATOM 663 C ALA A 45 -9.070 11.458 -3.260 1.00 0.00 C ATOM 664 O ALA A 45 -8.780 11.638 -2.076 1.00 0.00 O ATOM 665 CB ALA A 45 -10.323 9.365 -2.705 1.00 0.00 C ATOM 0 H ALA A 45 -9.548 9.253 -5.141 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.154 11.137 -3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.418 9.721 -1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.193 8.760 -2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.421 8.761 -2.797 1.00 0.00 H new ATOM 671 N ILE A 46 -8.404 12.022 -4.262 1.00 0.00 N ATOM 672 CA ILE A 46 -7.270 12.906 -4.023 1.00 0.00 C ATOM 673 C ILE A 46 -7.613 13.973 -2.989 1.00 0.00 C ATOM 674 O ILE A 46 -6.821 14.260 -2.091 1.00 0.00 O ATOM 675 CB ILE A 46 -6.810 13.594 -5.321 1.00 0.00 C ATOM 676 CG1 ILE A 46 -5.343 14.016 -5.209 1.00 0.00 C ATOM 677 CG2 ILE A 46 -7.691 14.798 -5.624 1.00 0.00 C ATOM 678 CD1 ILE A 46 -4.618 14.039 -6.536 1.00 0.00 C ATOM 0 H ILE A 46 -8.630 11.883 -5.247 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.459 12.284 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.903 12.884 -6.143 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.292 15.007 -4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.827 13.333 -4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.353 15.274 -6.545 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.724 14.472 -5.742 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.627 15.511 -4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.584 14.347 -6.380 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.638 13.043 -6.979 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.109 14.744 -7.207 1.00 0.00 H new ATOM 690 N LYS A 47 -8.799 14.556 -3.120 1.00 0.00 N ATOM 691 CA LYS A 47 -9.251 15.590 -2.196 1.00 0.00 C ATOM 692 C LYS A 47 -9.086 15.136 -0.749 1.00 0.00 C ATOM 693 O LYS A 47 -8.721 15.926 0.122 1.00 0.00 O ATOM 694 CB LYS A 47 -10.715 15.942 -2.467 1.00 0.00 C ATOM 695 CG LYS A 47 -11.640 14.737 -2.466 1.00 0.00 C ATOM 696 CD LYS A 47 -12.850 14.962 -3.358 1.00 0.00 C ATOM 697 CE LYS A 47 -13.700 13.706 -3.470 1.00 0.00 C ATOM 698 NZ LYS A 47 -14.668 13.791 -4.599 1.00 0.00 N ATOM 0 H LYS A 47 -9.466 14.330 -3.858 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.636 16.476 -2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.055 16.651 -1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.787 16.444 -3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.094 13.858 -2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.971 14.532 -1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.453 15.776 -2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.520 15.269 -4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.053 12.841 -3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.242 13.550 -2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.229 12.916 -4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.302 14.602 -4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.150 13.914 -5.492 1.00 0.00 H new ATOM 712 N PHE A 48 -9.354 13.858 -0.500 1.00 0.00 N ATOM 713 CA PHE A 48 -9.235 13.299 0.841 1.00 0.00 C ATOM 714 C PHE A 48 -8.134 12.244 0.895 1.00 0.00 C ATOM 715 O PHE A 48 -8.084 11.429 1.816 1.00 0.00 O ATOM 716 CB PHE A 48 -10.566 12.686 1.281 1.00 0.00 C ATOM 717 CG PHE A 48 -11.764 13.481 0.848 1.00 0.00 C ATOM 718 CD1 PHE A 48 -11.735 14.866 0.862 1.00 0.00 C ATOM 719 CD2 PHE A 48 -12.920 12.843 0.426 1.00 0.00 C ATOM 720 CE1 PHE A 48 -12.837 15.600 0.465 1.00 0.00 C ATOM 721 CE2 PHE A 48 -14.024 13.571 0.026 1.00 0.00 C ATOM 722 CZ PHE A 48 -13.983 14.952 0.045 1.00 0.00 C ATOM 0 H PHE A 48 -9.655 13.190 -1.210 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.972 14.108 1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.644 11.677 0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.574 12.595 2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.841 15.378 1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -12.958 11.764 0.410 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.802 16.679 0.483 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -14.918 13.061 -0.301 1.00 0.00 H new ATOM 0 HZ PHE A 48 -14.844 15.524 -0.268 1.00 0.00 H new ATOM 732 N TYR A 49 -7.254 12.265 -0.100 1.00 0.00 N ATOM 733 CA TYR A 49 -6.155 11.309 -0.169 1.00 0.00 C ATOM 734 C TYR A 49 -5.561 11.061 1.214 1.00 0.00 C ATOM 735 O TYR A 49 -5.156 9.944 1.538 1.00 0.00 O ATOM 736 CB TYR A 49 -5.068 11.817 -1.119 1.00 0.00 C ATOM 737 CG TYR A 49 -4.011 12.655 -0.437 1.00 0.00 C ATOM 738 CD1 TYR A 49 -4.218 14.007 -0.193 1.00 0.00 C ATOM 739 CD2 TYR A 49 -2.804 12.095 -0.036 1.00 0.00 C ATOM 740 CE1 TYR A 49 -3.255 14.777 0.429 1.00 0.00 C ATOM 741 CE2 TYR A 49 -1.835 12.857 0.588 1.00 0.00 C ATOM 742 CZ TYR A 49 -2.065 14.197 0.818 1.00 0.00 C ATOM 743 OH TYR A 49 -1.102 14.960 1.439 1.00 0.00 O ATOM 0 H TYR A 49 -7.280 12.934 -0.870 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.550 10.367 -0.549 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.589 10.964 -1.599 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.534 12.407 -1.908 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.149 14.464 -0.495 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.620 11.046 -0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.432 15.827 0.610 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.903 12.406 0.894 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.532 15.682 1.944 1.00 0.00 H new ATOM 753 N LYS A 50 -5.513 12.111 2.027 1.00 0.00 N ATOM 754 CA LYS A 50 -4.971 12.009 3.377 1.00 0.00 C ATOM 755 C LYS A 50 -5.304 10.656 3.997 1.00 0.00 C ATOM 756 O LYS A 50 -4.531 10.118 4.790 1.00 0.00 O ATOM 757 CB LYS A 50 -5.524 13.134 4.256 1.00 0.00 C ATOM 758 CG LYS A 50 -5.102 14.522 3.805 1.00 0.00 C ATOM 759 CD LYS A 50 -5.934 15.603 4.474 1.00 0.00 C ATOM 760 CE LYS A 50 -5.727 16.956 3.811 1.00 0.00 C ATOM 761 NZ LYS A 50 -6.570 18.013 4.434 1.00 0.00 N ATOM 0 H LYS A 50 -5.843 13.043 1.774 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.887 12.103 3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.613 13.078 4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.192 12.978 5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.048 14.676 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.204 14.601 2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.989 15.332 4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.667 15.669 5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.677 17.239 3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.964 16.881 2.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.400 18.920 3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.573 17.755 4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.326 18.103 5.441 1.00 0.00 H new ATOM 775 N HIS A 51 -6.459 10.109 3.629 1.00 0.00 N ATOM 776 CA HIS A 51 -6.892 8.817 4.147 1.00 0.00 C ATOM 777 C HIS A 51 -6.330 7.677 3.303 1.00 0.00 C ATOM 778 O HIS A 51 -5.797 6.702 3.834 1.00 0.00 O ATOM 779 CB HIS A 51 -8.419 8.741 4.176 1.00 0.00 C ATOM 780 CG HIS A 51 -9.027 9.362 5.396 1.00 0.00 C ATOM 781 ND1 HIS A 51 -9.969 8.725 6.175 1.00 0.00 N ATOM 782 CD2 HIS A 51 -8.821 10.570 5.970 1.00 0.00 C ATOM 783 CE1 HIS A 51 -10.317 9.514 7.175 1.00 0.00 C ATOM 784 NE2 HIS A 51 -9.634 10.641 7.074 1.00 0.00 N ATOM 0 H HIS A 51 -7.111 10.541 2.974 1.00 0.00 H new ATOM 0 HA HIS A 51 -6.511 8.715 5.163 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.816 9.236 3.290 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -8.724 7.696 4.120 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.143 11.336 5.624 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -11.037 9.278 7.945 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.700 11.434 7.712 1.00 0.00 H new ATOM 792 N VAL A 52 -6.454 7.805 1.986 1.00 0.00 N ATOM 793 CA VAL A 52 -5.958 6.786 1.069 1.00 0.00 C ATOM 794 C VAL A 52 -4.530 6.381 1.417 1.00 0.00 C ATOM 795 O VAL A 52 -4.279 5.250 1.834 1.00 0.00 O ATOM 796 CB VAL A 52 -5.999 7.277 -0.391 1.00 0.00 C ATOM 797 CG1 VAL A 52 -5.155 6.378 -1.281 1.00 0.00 C ATOM 798 CG2 VAL A 52 -7.434 7.342 -0.891 1.00 0.00 C ATOM 0 H VAL A 52 -6.894 8.604 1.530 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.613 5.921 1.173 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.579 8.282 -0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.196 6.741 -2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.122 6.389 -0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.541 5.359 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.444 7.691 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.883 6.350 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.005 8.032 -0.270 1.00 0.00 H new ATOM 808 N VAL A 53 -3.597 7.312 1.245 1.00 0.00 N ATOM 809 CA VAL A 53 -2.194 7.052 1.542 1.00 0.00 C ATOM 810 C VAL A 53 -2.050 6.116 2.736 1.00 0.00 C ATOM 811 O VAL A 53 -1.412 5.067 2.641 1.00 0.00 O ATOM 812 CB VAL A 53 -1.431 8.359 1.834 1.00 0.00 C ATOM 813 CG1 VAL A 53 -0.065 8.058 2.431 1.00 0.00 C ATOM 814 CG2 VAL A 53 -1.297 9.191 0.567 1.00 0.00 C ATOM 0 H VAL A 53 -3.788 8.253 0.901 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.765 6.579 0.659 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.000 8.937 2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.459 8.993 2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.189 7.506 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.515 7.460 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.756 10.110 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.751 8.622 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.288 9.437 0.187 1.00 0.00 H new ATOM 824 N GLN A 54 -2.647 6.501 3.860 1.00 0.00 N ATOM 825 CA GLN A 54 -2.584 5.694 5.073 1.00 0.00 C ATOM 826 C GLN A 54 -3.025 4.261 4.797 1.00 0.00 C ATOM 827 O GLN A 54 -2.260 3.317 4.995 1.00 0.00 O ATOM 828 CB GLN A 54 -3.461 6.309 6.165 1.00 0.00 C ATOM 829 CG GLN A 54 -3.245 5.693 7.537 1.00 0.00 C ATOM 830 CD GLN A 54 -3.706 6.598 8.663 1.00 0.00 C ATOM 831 OE1 GLN A 54 -4.903 6.827 8.840 1.00 0.00 O ATOM 832 NE2 GLN A 54 -2.756 7.118 9.431 1.00 0.00 N ATOM 0 H GLN A 54 -3.179 7.366 3.956 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.549 5.676 5.415 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.261 7.379 6.221 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.508 6.195 5.885 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -3.782 4.746 7.594 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.186 5.468 7.667 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.776 6.901 9.248 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.006 7.735 10.204 1.00 0.00 H new ATOM 841 N SER A 55 -4.263 4.106 4.339 1.00 0.00 N ATOM 842 CA SER A 55 -4.808 2.786 4.040 1.00 0.00 C ATOM 843 C SER A 55 -3.817 1.962 3.223 1.00 0.00 C ATOM 844 O SER A 55 -3.669 0.759 3.436 1.00 0.00 O ATOM 845 CB SER A 55 -6.129 2.917 3.280 1.00 0.00 C ATOM 846 OG SER A 55 -7.186 3.276 4.152 1.00 0.00 O ATOM 0 H SER A 55 -4.908 4.877 4.167 1.00 0.00 H new ATOM 0 HA SER A 55 -4.990 2.272 4.984 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.028 3.668 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.364 1.973 2.788 1.00 0.00 H new ATOM 0 HG SER A 55 -7.767 3.930 3.710 1.00 0.00 H new ATOM 852 N VAL A 56 -3.141 2.620 2.287 1.00 0.00 N ATOM 853 CA VAL A 56 -2.163 1.950 1.438 1.00 0.00 C ATOM 854 C VAL A 56 -0.971 1.461 2.252 1.00 0.00 C ATOM 855 O VAL A 56 -0.336 0.465 1.905 1.00 0.00 O ATOM 856 CB VAL A 56 -1.659 2.881 0.319 1.00 0.00 C ATOM 857 CG1 VAL A 56 -0.621 2.174 -0.538 1.00 0.00 C ATOM 858 CG2 VAL A 56 -2.822 3.370 -0.531 1.00 0.00 C ATOM 0 H VAL A 56 -3.252 3.616 2.097 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.668 1.095 0.989 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.185 3.748 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.277 2.848 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.225 1.879 0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.065 1.287 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.448 4.026 -1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.327 2.516 -0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.525 3.918 0.096 1.00 0.00 H new ATOM 868 N GLU A 57 -0.673 2.168 3.338 1.00 0.00 N ATOM 869 CA GLU A 57 0.444 1.805 4.202 1.00 0.00 C ATOM 870 C GLU A 57 0.037 0.712 5.187 1.00 0.00 C ATOM 871 O GLU A 57 0.814 -0.197 5.479 1.00 0.00 O ATOM 872 CB GLU A 57 0.948 3.032 4.965 1.00 0.00 C ATOM 873 CG GLU A 57 1.449 4.146 4.062 1.00 0.00 C ATOM 874 CD GLU A 57 1.867 5.382 4.836 1.00 0.00 C ATOM 875 OE1 GLU A 57 1.108 5.802 5.734 1.00 0.00 O ATOM 876 OE2 GLU A 57 2.951 5.928 4.543 1.00 0.00 O ATOM 0 H GLU A 57 -1.189 2.994 3.640 1.00 0.00 H new ATOM 0 HA GLU A 57 1.247 1.423 3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.142 3.417 5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.753 2.728 5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.296 3.783 3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.666 4.414 3.353 1.00 0.00 H new ATOM 883 N LYS A 58 -1.186 0.809 5.696 1.00 0.00 N ATOM 884 CA LYS A 58 -1.698 -0.170 6.648 1.00 0.00 C ATOM 885 C LYS A 58 -1.929 -1.517 5.971 1.00 0.00 C ATOM 886 O LYS A 58 -1.340 -2.527 6.358 1.00 0.00 O ATOM 887 CB LYS A 58 -3.003 0.330 7.272 1.00 0.00 C ATOM 888 CG LYS A 58 -2.930 1.763 7.769 1.00 0.00 C ATOM 889 CD LYS A 58 -1.919 1.912 8.894 1.00 0.00 C ATOM 890 CE LYS A 58 -2.556 1.665 10.253 1.00 0.00 C ATOM 891 NZ LYS A 58 -3.091 2.919 10.851 1.00 0.00 N ATOM 0 H LYS A 58 -1.842 1.556 5.465 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.954 -0.301 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.802 0.250 6.535 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.271 -0.321 8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.658 2.422 6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.913 2.079 8.118 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.099 1.210 8.743 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.490 2.914 8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.363 0.939 10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.818 1.228 10.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.517 2.708 11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.317 3.603 10.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.813 3.323 10.221 1.00 0.00 H new ATOM 905 N PHE A 59 -2.789 -1.526 4.958 1.00 0.00 N ATOM 906 CA PHE A 59 -3.097 -2.749 4.227 1.00 0.00 C ATOM 907 C PHE A 59 -1.839 -3.585 4.010 1.00 0.00 C ATOM 908 O PHE A 59 -1.903 -4.811 3.922 1.00 0.00 O ATOM 909 CB PHE A 59 -3.741 -2.415 2.880 1.00 0.00 C ATOM 910 CG PHE A 59 -3.516 -3.467 1.831 1.00 0.00 C ATOM 911 CD1 PHE A 59 -4.399 -4.525 1.692 1.00 0.00 C ATOM 912 CD2 PHE A 59 -2.422 -3.397 0.984 1.00 0.00 C ATOM 913 CE1 PHE A 59 -4.194 -5.495 0.728 1.00 0.00 C ATOM 914 CE2 PHE A 59 -2.211 -4.363 0.018 1.00 0.00 C ATOM 915 CZ PHE A 59 -3.099 -5.413 -0.111 1.00 0.00 C ATOM 0 H PHE A 59 -3.285 -0.699 4.625 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.800 -3.331 4.823 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.813 -2.279 3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.344 -1.465 2.522 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.257 -4.593 2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.725 -2.577 1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.889 -6.316 0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.353 -4.297 -0.635 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.938 -6.168 -0.866 1.00 0.00 H new ATOM 925 N ILE A 60 -0.697 -2.911 3.922 1.00 0.00 N ATOM 926 CA ILE A 60 0.576 -3.590 3.715 1.00 0.00 C ATOM 927 C ILE A 60 0.979 -4.390 4.949 1.00 0.00 C ATOM 928 O ILE A 60 1.457 -5.519 4.839 1.00 0.00 O ATOM 929 CB ILE A 60 1.698 -2.591 3.376 1.00 0.00 C ATOM 930 CG1 ILE A 60 1.505 -2.033 1.965 1.00 0.00 C ATOM 931 CG2 ILE A 60 3.059 -3.259 3.505 1.00 0.00 C ATOM 932 CD1 ILE A 60 2.480 -0.932 1.612 1.00 0.00 C ATOM 0 H ILE A 60 -0.627 -1.896 3.991 1.00 0.00 H new ATOM 0 HA ILE A 60 0.439 -4.269 2.873 1.00 0.00 H new ATOM 0 HB ILE A 60 1.652 -1.763 4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.609 -2.844 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.488 -1.651 1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.842 -2.540 3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.195 -3.613 4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.116 -4.104 2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.284 -0.584 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.360 -0.103 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.499 -1.314 1.674 1.00 0.00 H new ATOM 944 N GLN A 61 0.781 -3.799 6.123 1.00 0.00 N ATOM 945 CA GLN A 61 1.122 -4.458 7.377 1.00 0.00 C ATOM 946 C GLN A 61 0.067 -5.492 7.754 1.00 0.00 C ATOM 947 O GLN A 61 0.324 -6.396 8.549 1.00 0.00 O ATOM 948 CB GLN A 61 1.265 -3.426 8.498 1.00 0.00 C ATOM 949 CG GLN A 61 -0.052 -2.785 8.905 1.00 0.00 C ATOM 950 CD GLN A 61 -0.007 -2.195 10.301 1.00 0.00 C ATOM 951 OE1 GLN A 61 0.528 -1.106 10.510 1.00 0.00 O ATOM 952 NE2 GLN A 61 -0.569 -2.913 11.266 1.00 0.00 N ATOM 0 H GLN A 61 0.386 -2.865 6.231 1.00 0.00 H new ATOM 0 HA GLN A 61 2.074 -4.971 7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.710 -3.907 9.369 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.955 -2.646 8.177 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.306 -2.001 8.191 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.845 -3.531 8.855 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.001 -3.811 11.048 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.568 -2.567 12.225 1.00 0.00 H new ATOM 961 N LYS A 62 -1.122 -5.353 7.178 1.00 0.00 N ATOM 962 CA LYS A 62 -2.218 -6.276 7.452 1.00 0.00 C ATOM 963 C LYS A 62 -2.192 -7.454 6.483 1.00 0.00 C ATOM 964 O LYS A 62 -2.455 -8.593 6.870 1.00 0.00 O ATOM 965 CB LYS A 62 -3.561 -5.549 7.352 1.00 0.00 C ATOM 966 CG LYS A 62 -3.572 -4.194 8.037 1.00 0.00 C ATOM 967 CD LYS A 62 -3.398 -4.328 9.541 1.00 0.00 C ATOM 968 CE LYS A 62 -4.652 -4.881 10.200 1.00 0.00 C ATOM 969 NZ LYS A 62 -5.578 -3.796 10.629 1.00 0.00 N ATOM 0 H LYS A 62 -1.352 -4.610 6.518 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.093 -6.659 8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.816 -5.417 6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.337 -6.175 7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.773 -3.574 7.631 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.511 -3.684 7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.554 -4.984 9.754 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.160 -3.354 9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.166 -5.543 9.504 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.373 -5.483 11.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.420 -4.214 11.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.096 -3.178 11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.865 -3.237 9.800 1.00 0.00 H new ATOM 983 N CYS A 63 -1.872 -7.173 5.225 1.00 0.00 N ATOM 984 CA CYS A 63 -1.811 -8.210 4.202 1.00 0.00 C ATOM 985 C CYS A 63 -0.863 -9.330 4.618 1.00 0.00 C ATOM 986 O CYS A 63 -0.334 -9.329 5.730 1.00 0.00 O ATOM 987 CB CYS A 63 -1.359 -7.613 2.868 1.00 0.00 C ATOM 988 SG CYS A 63 0.429 -7.380 2.731 1.00 0.00 S ATOM 0 H CYS A 63 -1.651 -6.236 4.889 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.810 -8.629 4.085 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.693 -8.263 2.060 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.852 -6.651 2.727 1.00 0.00 H new ATOM 0 HG CYS A 63 0.878 -6.819 3.814 1.00 0.00 H new ATOM 994 N LYS A 64 -0.655 -10.287 3.720 1.00 0.00 N ATOM 995 CA LYS A 64 0.228 -11.414 3.993 1.00 0.00 C ATOM 996 C LYS A 64 1.601 -11.194 3.366 1.00 0.00 C ATOM 997 O LYS A 64 1.763 -10.418 2.424 1.00 0.00 O ATOM 998 CB LYS A 64 -0.386 -12.710 3.460 1.00 0.00 C ATOM 999 CG LYS A 64 -1.798 -12.965 3.959 1.00 0.00 C ATOM 1000 CD LYS A 64 -2.837 -12.393 3.010 1.00 0.00 C ATOM 1001 CE LYS A 64 -4.242 -12.517 3.581 1.00 0.00 C ATOM 1002 NZ LYS A 64 -4.872 -13.819 3.225 1.00 0.00 N ATOM 0 H LYS A 64 -1.087 -10.304 2.796 1.00 0.00 H new ATOM 0 HA LYS A 64 0.350 -11.494 5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.395 -12.676 2.371 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.249 -13.548 3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.957 -14.038 4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.922 -12.520 4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.614 -11.344 2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.784 -12.914 2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.203 -12.417 4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.860 -11.700 3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.828 -13.865 3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.932 -13.904 2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.297 -14.598 3.604 1.00 0.00 H new ATOM 1016 N PRO A 65 2.614 -11.894 3.898 1.00 0.00 N ATOM 1017 CA PRO A 65 3.991 -11.793 3.404 1.00 0.00 C ATOM 1018 C PRO A 65 4.072 -11.907 1.886 1.00 0.00 C ATOM 1019 O PRO A 65 5.065 -11.510 1.277 1.00 0.00 O ATOM 1020 CB PRO A 65 4.694 -12.980 4.068 1.00 0.00 C ATOM 1021 CG PRO A 65 3.908 -13.241 5.307 1.00 0.00 C ATOM 1022 CD PRO A 65 2.494 -12.837 5.022 1.00 0.00 C ATOM 0 HA PRO A 65 4.439 -10.828 3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.703 -13.852 3.414 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.733 -12.746 4.300 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.960 -14.294 5.582 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.310 -12.672 6.146 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.878 -13.697 4.758 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.030 -12.367 5.889 1.00 0.00 H new ATOM 1030 N GLU A 66 3.021 -12.452 1.281 1.00 0.00 N ATOM 1031 CA GLU A 66 2.975 -12.618 -0.167 1.00 0.00 C ATOM 1032 C GLU A 66 2.447 -11.356 -0.843 1.00 0.00 C ATOM 1033 O GLU A 66 2.806 -11.052 -1.981 1.00 0.00 O ATOM 1034 CB GLU A 66 2.096 -13.814 -0.538 1.00 0.00 C ATOM 1035 CG GLU A 66 0.610 -13.556 -0.358 1.00 0.00 C ATOM 1036 CD GLU A 66 -0.244 -14.727 -0.803 1.00 0.00 C ATOM 1037 OE1 GLU A 66 -0.255 -15.025 -2.016 1.00 0.00 O ATOM 1038 OE2 GLU A 66 -0.901 -15.346 0.060 1.00 0.00 O ATOM 0 H GLU A 66 2.191 -12.786 1.771 1.00 0.00 H new ATOM 0 HA GLU A 66 3.991 -12.800 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.286 -14.085 -1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.384 -14.669 0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.407 -13.341 0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.328 -12.669 -0.925 1.00 0.00 H new ATOM 1045 N TYR A 67 1.594 -10.625 -0.134 1.00 0.00 N ATOM 1046 CA TYR A 67 1.014 -9.397 -0.665 1.00 0.00 C ATOM 1047 C TYR A 67 1.898 -8.195 -0.347 1.00 0.00 C ATOM 1048 O TYR A 67 1.418 -7.066 -0.245 1.00 0.00 O ATOM 1049 CB TYR A 67 -0.387 -9.181 -0.091 1.00 0.00 C ATOM 1050 CG TYR A 67 -1.436 -10.087 -0.696 1.00 0.00 C ATOM 1051 CD1 TYR A 67 -2.007 -9.796 -1.929 1.00 0.00 C ATOM 1052 CD2 TYR A 67 -1.855 -11.235 -0.035 1.00 0.00 C ATOM 1053 CE1 TYR A 67 -2.966 -10.620 -2.484 1.00 0.00 C ATOM 1054 CE2 TYR A 67 -2.813 -12.066 -0.583 1.00 0.00 C ATOM 1055 CZ TYR A 67 -3.365 -11.754 -1.808 1.00 0.00 C ATOM 1056 OH TYR A 67 -4.319 -12.579 -2.358 1.00 0.00 O ATOM 0 H TYR A 67 1.289 -10.862 0.810 1.00 0.00 H new ATOM 0 HA TYR A 67 0.944 -9.496 -1.748 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.358 -9.342 0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.680 -8.143 -0.250 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.695 -8.910 -2.462 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.424 -11.482 0.924 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.401 -10.378 -3.442 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.128 -12.954 -0.056 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.118 -12.055 -2.576 1.00 0.00 H new ATOM 1066 N LYS A 68 3.193 -8.446 -0.192 1.00 0.00 N ATOM 1067 CA LYS A 68 4.147 -7.386 0.113 1.00 0.00 C ATOM 1068 C LYS A 68 4.590 -6.671 -1.160 1.00 0.00 C ATOM 1069 O LYS A 68 5.040 -5.526 -1.115 1.00 0.00 O ATOM 1070 CB LYS A 68 5.366 -7.962 0.837 1.00 0.00 C ATOM 1071 CG LYS A 68 5.034 -8.591 2.179 1.00 0.00 C ATOM 1072 CD LYS A 68 4.154 -7.682 3.020 1.00 0.00 C ATOM 1073 CE LYS A 68 4.164 -8.095 4.484 1.00 0.00 C ATOM 1074 NZ LYS A 68 3.438 -7.116 5.341 1.00 0.00 N ATOM 0 H LYS A 68 3.607 -9.375 -0.273 1.00 0.00 H new ATOM 0 HA LYS A 68 3.654 -6.663 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.836 -8.711 0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.097 -7.168 0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.528 -9.543 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.956 -8.807 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.500 -6.653 2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.133 -7.709 2.640 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.705 -9.078 4.587 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.194 -8.186 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.097 -7.593 6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.081 -6.343 5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.629 -6.728 4.816 1.00 0.00 H new ATOM 1088 N VAL A 69 4.459 -7.353 -2.293 1.00 0.00 N ATOM 1089 CA VAL A 69 4.843 -6.781 -3.578 1.00 0.00 C ATOM 1090 C VAL A 69 3.742 -5.883 -4.131 1.00 0.00 C ATOM 1091 O VAL A 69 3.982 -4.748 -4.545 1.00 0.00 O ATOM 1092 CB VAL A 69 5.160 -7.881 -4.609 1.00 0.00 C ATOM 1093 CG1 VAL A 69 4.748 -7.439 -6.005 1.00 0.00 C ATOM 1094 CG2 VAL A 69 6.638 -8.239 -4.569 1.00 0.00 C ATOM 0 H VAL A 69 4.090 -8.302 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 69 5.740 -6.186 -3.405 1.00 0.00 H new ATOM 0 HB VAL A 69 4.587 -8.772 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.980 -8.229 -6.720 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.677 -7.237 -6.021 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.292 -6.534 -6.275 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.844 -9.017 -5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.233 -7.355 -4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.898 -8.601 -3.574 1.00 0.00 H new ATOM 1104 N PRO A 70 2.505 -6.400 -4.140 1.00 0.00 N ATOM 1105 CA PRO A 70 1.341 -5.661 -4.638 1.00 0.00 C ATOM 1106 C PRO A 70 1.268 -4.246 -4.075 1.00 0.00 C ATOM 1107 O PRO A 70 1.267 -3.269 -4.823 1.00 0.00 O ATOM 1108 CB PRO A 70 0.155 -6.494 -4.147 1.00 0.00 C ATOM 1109 CG PRO A 70 0.694 -7.876 -4.007 1.00 0.00 C ATOM 1110 CD PRO A 70 2.146 -7.746 -3.662 1.00 0.00 C ATOM 0 HA PRO A 70 1.371 -5.534 -5.720 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.225 -6.119 -3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.672 -6.462 -4.856 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.160 -8.421 -3.229 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.566 -8.436 -4.934 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.312 -7.846 -2.589 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.743 -8.516 -4.151 1.00 0.00 H new ATOM 1118 N GLY A 71 1.207 -4.143 -2.751 1.00 0.00 N ATOM 1119 CA GLY A 71 1.135 -2.843 -2.110 1.00 0.00 C ATOM 1120 C GLY A 71 2.013 -1.812 -2.791 1.00 0.00 C ATOM 1121 O GLY A 71 1.534 -0.758 -3.211 1.00 0.00 O ATOM 0 H GLY A 71 1.206 -4.937 -2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.102 -2.496 -2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.435 -2.939 -1.066 1.00 0.00 H new ATOM 1125 N LEU A 72 3.302 -2.114 -2.900 1.00 0.00 N ATOM 1126 CA LEU A 72 4.250 -1.204 -3.534 1.00 0.00 C ATOM 1127 C LEU A 72 3.697 -0.673 -4.852 1.00 0.00 C ATOM 1128 O LEU A 72 3.744 0.528 -5.119 1.00 0.00 O ATOM 1129 CB LEU A 72 5.584 -1.912 -3.775 1.00 0.00 C ATOM 1130 CG LEU A 72 6.798 -1.006 -3.979 1.00 0.00 C ATOM 1131 CD1 LEU A 72 6.537 -0.008 -5.097 1.00 0.00 C ATOM 1132 CD2 LEU A 72 7.147 -0.282 -2.687 1.00 0.00 C ATOM 0 H LEU A 72 3.715 -2.982 -2.558 1.00 0.00 H new ATOM 0 HA LEU A 72 4.410 -0.360 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.783 -2.567 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.480 -2.550 -4.653 1.00 0.00 H new ATOM 0 HG LEU A 72 7.647 -1.627 -4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.412 0.629 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.337 -0.545 -6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.675 0.608 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.014 0.358 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.300 0.327 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.377 -1.012 -1.911 1.00 0.00 H new ATOM 1144 N TYR A 73 3.171 -1.575 -5.673 1.00 0.00 N ATOM 1145 CA TYR A 73 2.609 -1.198 -6.965 1.00 0.00 C ATOM 1146 C TYR A 73 1.500 -0.164 -6.795 1.00 0.00 C ATOM 1147 O TYR A 73 1.477 0.857 -7.483 1.00 0.00 O ATOM 1148 CB TYR A 73 2.065 -2.431 -7.687 1.00 0.00 C ATOM 1149 CG TYR A 73 3.143 -3.312 -8.279 1.00 0.00 C ATOM 1150 CD1 TYR A 73 4.450 -3.253 -7.810 1.00 0.00 C ATOM 1151 CD2 TYR A 73 2.855 -4.201 -9.306 1.00 0.00 C ATOM 1152 CE1 TYR A 73 5.438 -4.054 -8.347 1.00 0.00 C ATOM 1153 CE2 TYR A 73 3.837 -5.008 -9.849 1.00 0.00 C ATOM 1154 CZ TYR A 73 5.127 -4.930 -9.366 1.00 0.00 C ATOM 1155 OH TYR A 73 6.108 -5.731 -9.905 1.00 0.00 O ATOM 0 H TYR A 73 3.122 -2.573 -5.467 1.00 0.00 H new ATOM 0 HA TYR A 73 3.405 -0.756 -7.564 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.471 -3.019 -6.987 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.393 -2.109 -8.483 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.697 -2.569 -7.012 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.846 -4.263 -9.687 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.449 -3.995 -7.971 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.596 -5.695 -10.646 1.00 0.00 H new ATOM 0 HH TYR A 73 5.722 -6.290 -10.612 1.00 0.00 H new ATOM 1165 N VAL A 74 0.583 -0.435 -5.873 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.529 0.471 -5.610 1.00 0.00 C ATOM 1167 C VAL A 74 -0.032 1.888 -5.348 1.00 0.00 C ATOM 1168 O VAL A 74 -0.651 2.863 -5.776 1.00 0.00 O ATOM 1169 CB VAL A 74 -1.363 0.000 -4.404 1.00 0.00 C ATOM 1170 CG1 VAL A 74 -2.445 1.018 -4.073 1.00 0.00 C ATOM 1171 CG2 VAL A 74 -1.972 -1.367 -4.678 1.00 0.00 C ATOM 0 H VAL A 74 0.588 -1.275 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.158 0.468 -6.500 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.703 -0.088 -3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.024 0.668 -3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.982 1.975 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.104 1.141 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.558 -1.684 -3.815 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.618 -1.308 -5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.177 -2.089 -4.862 1.00 0.00 H new ATOM 1181 N ILE A 75 1.090 1.995 -4.643 1.00 0.00 N ATOM 1182 CA ILE A 75 1.671 3.294 -4.326 1.00 0.00 C ATOM 1183 C ILE A 75 2.210 3.976 -5.579 1.00 0.00 C ATOM 1184 O ILE A 75 2.012 5.174 -5.780 1.00 0.00 O ATOM 1185 CB ILE A 75 2.808 3.165 -3.295 1.00 0.00 C ATOM 1186 CG1 ILE A 75 2.267 2.616 -1.973 1.00 0.00 C ATOM 1187 CG2 ILE A 75 3.482 4.512 -3.079 1.00 0.00 C ATOM 1188 CD1 ILE A 75 3.345 2.090 -1.052 1.00 0.00 C ATOM 0 H ILE A 75 1.614 1.198 -4.281 1.00 0.00 H new ATOM 0 HA ILE A 75 0.873 3.902 -3.900 1.00 0.00 H new ATOM 0 HB ILE A 75 3.551 2.466 -3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.715 3.404 -1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.558 1.815 -2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.283 4.405 -2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.897 4.867 -4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.749 5.231 -2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.890 1.717 -0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.882 1.280 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.041 2.893 -0.811 1.00 0.00 H new ATOM 1200 N ASP A 76 2.892 3.204 -6.419 1.00 0.00 N ATOM 1201 CA ASP A 76 3.458 3.732 -7.654 1.00 0.00 C ATOM 1202 C ASP A 76 2.356 4.110 -8.639 1.00 0.00 C ATOM 1203 O ASP A 76 2.261 5.259 -9.069 1.00 0.00 O ATOM 1204 CB ASP A 76 4.397 2.706 -8.290 1.00 0.00 C ATOM 1205 CG ASP A 76 4.548 2.907 -9.785 1.00 0.00 C ATOM 1206 OD1 ASP A 76 5.359 3.766 -10.190 1.00 0.00 O ATOM 1207 OD2 ASP A 76 3.855 2.204 -10.550 1.00 0.00 O ATOM 0 H ASP A 76 3.066 2.211 -6.266 1.00 0.00 H new ATOM 0 HA ASP A 76 4.026 4.630 -7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 76 5.377 2.772 -7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.017 1.702 -8.098 1.00 0.00 H new ATOM 1212 N SER A 77 1.525 3.134 -8.993 1.00 0.00 N ATOM 1213 CA SER A 77 0.433 3.363 -9.931 1.00 0.00 C ATOM 1214 C SER A 77 -0.319 4.645 -9.587 1.00 0.00 C ATOM 1215 O SER A 77 -0.772 5.369 -10.475 1.00 0.00 O ATOM 1216 CB SER A 77 -0.532 2.175 -9.923 1.00 0.00 C ATOM 1217 OG SER A 77 0.036 1.053 -10.575 1.00 0.00 O ATOM 0 H SER A 77 1.588 2.178 -8.644 1.00 0.00 H new ATOM 0 HA SER A 77 0.860 3.469 -10.928 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.783 1.914 -8.895 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.462 2.455 -10.418 1.00 0.00 H new ATOM 0 HG SER A 77 -0.599 0.307 -10.555 1.00 0.00 H new ATOM 1223 N ILE A 78 -0.448 4.919 -8.293 1.00 0.00 N ATOM 1224 CA ILE A 78 -1.143 6.114 -7.832 1.00 0.00 C ATOM 1225 C ILE A 78 -0.289 7.361 -8.036 1.00 0.00 C ATOM 1226 O ILE A 78 -0.610 8.219 -8.858 1.00 0.00 O ATOM 1227 CB ILE A 78 -1.524 6.004 -6.343 1.00 0.00 C ATOM 1228 CG1 ILE A 78 -2.694 5.035 -6.164 1.00 0.00 C ATOM 1229 CG2 ILE A 78 -1.873 7.375 -5.784 1.00 0.00 C ATOM 1230 CD1 ILE A 78 -2.779 4.441 -4.775 1.00 0.00 C ATOM 0 H ILE A 78 -0.080 4.330 -7.546 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.053 6.199 -8.427 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.668 5.615 -5.791 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.625 5.557 -6.385 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.601 4.228 -6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.140 7.282 -4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.013 8.038 -5.883 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.716 7.789 -6.337 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.631 3.764 -4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.864 3.890 -4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.903 5.240 -4.044 1.00 0.00 H new ATOM 1242 N VAL A 79 0.803 7.453 -7.283 1.00 0.00 N ATOM 1243 CA VAL A 79 1.706 8.594 -7.383 1.00 0.00 C ATOM 1244 C VAL A 79 1.975 8.955 -8.839 1.00 0.00 C ATOM 1245 O VAL A 79 1.882 10.120 -9.228 1.00 0.00 O ATOM 1246 CB VAL A 79 3.046 8.311 -6.679 1.00 0.00 C ATOM 1247 CG1 VAL A 79 4.031 9.443 -6.932 1.00 0.00 C ATOM 1248 CG2 VAL A 79 2.831 8.104 -5.188 1.00 0.00 C ATOM 0 H VAL A 79 1.084 6.752 -6.598 1.00 0.00 H new ATOM 0 HA VAL A 79 1.215 9.432 -6.889 1.00 0.00 H new ATOM 0 HB VAL A 79 3.468 7.395 -7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.972 9.226 -6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.208 9.539 -8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.620 10.376 -6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.788 7.905 -4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.387 9.001 -4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.163 7.257 -5.031 1.00 0.00 H new ATOM 1258 N ARG A 80 2.309 7.949 -9.641 1.00 0.00 N ATOM 1259 CA ARG A 80 2.593 8.161 -11.055 1.00 0.00 C ATOM 1260 C ARG A 80 1.437 8.885 -11.739 1.00 0.00 C ATOM 1261 O ARG A 80 1.651 9.771 -12.566 1.00 0.00 O ATOM 1262 CB ARG A 80 2.855 6.824 -11.751 1.00 0.00 C ATOM 1263 CG ARG A 80 4.147 6.153 -11.315 1.00 0.00 C ATOM 1264 CD ARG A 80 4.719 5.277 -12.419 1.00 0.00 C ATOM 1265 NE ARG A 80 3.961 4.039 -12.584 1.00 0.00 N ATOM 1266 CZ ARG A 80 4.470 2.930 -13.109 1.00 0.00 C ATOM 1267 NH1 ARG A 80 5.731 2.904 -13.517 1.00 0.00 N ATOM 1268 NH2 ARG A 80 3.717 1.844 -13.226 1.00 0.00 N ATOM 0 H ARG A 80 2.389 6.979 -9.335 1.00 0.00 H new ATOM 0 HA ARG A 80 3.485 8.783 -11.131 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.021 6.151 -11.552 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.885 6.985 -12.829 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.877 6.913 -11.037 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.963 5.548 -10.427 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.718 5.830 -13.358 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.758 5.038 -12.191 1.00 0.00 H new ATOM 0 HE ARG A 80 2.988 4.025 -12.279 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.313 3.737 -13.428 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.119 2.051 -13.920 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.746 1.860 -12.913 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.109 0.993 -13.629 1.00 0.00 H new ATOM 1282 N GLN A 81 0.215 8.501 -11.388 1.00 0.00 N ATOM 1283 CA GLN A 81 -0.974 9.112 -11.970 1.00 0.00 C ATOM 1284 C GLN A 81 -1.160 10.537 -11.456 1.00 0.00 C ATOM 1285 O GLN A 81 -1.064 11.499 -12.218 1.00 0.00 O ATOM 1286 CB GLN A 81 -2.214 8.276 -11.647 1.00 0.00 C ATOM 1287 CG GLN A 81 -2.515 7.209 -12.687 1.00 0.00 C ATOM 1288 CD GLN A 81 -2.417 7.732 -14.106 1.00 0.00 C ATOM 1289 OE1 GLN A 81 -1.765 7.129 -14.959 1.00 0.00 O ATOM 1290 NE2 GLN A 81 -3.065 8.861 -14.367 1.00 0.00 N ATOM 0 H GLN A 81 0.022 7.770 -10.704 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.841 9.148 -13.051 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.077 7.798 -10.677 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.075 8.938 -11.558 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.820 6.379 -12.561 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.517 6.815 -12.518 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.593 9.328 -13.630 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.034 9.262 -15.305 1.00 0.00 H new ATOM 1299 N SER A 82 -1.426 10.664 -10.160 1.00 0.00 N ATOM 1300 CA SER A 82 -1.629 11.970 -9.546 1.00 0.00 C ATOM 1301 C SER A 82 -0.580 12.967 -10.030 1.00 0.00 C ATOM 1302 O SER A 82 -0.911 14.054 -10.502 1.00 0.00 O ATOM 1303 CB SER A 82 -1.575 11.855 -8.022 1.00 0.00 C ATOM 1304 OG SER A 82 -0.435 11.122 -7.606 1.00 0.00 O ATOM 0 H SER A 82 -1.506 9.878 -9.515 1.00 0.00 H new ATOM 0 HA SER A 82 -2.614 12.333 -9.841 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.552 12.851 -7.580 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.479 11.365 -7.659 1.00 0.00 H new ATOM 0 HG SER A 82 -0.050 11.541 -6.808 1.00 0.00 H new ATOM 1310 N ARG A 83 0.688 12.587 -9.907 1.00 0.00 N ATOM 1311 CA ARG A 83 1.787 13.447 -10.330 1.00 0.00 C ATOM 1312 C ARG A 83 1.603 13.892 -11.778 1.00 0.00 C ATOM 1313 O ARG A 83 2.069 14.961 -12.174 1.00 0.00 O ATOM 1314 CB ARG A 83 3.123 12.717 -10.175 1.00 0.00 C ATOM 1315 CG ARG A 83 4.303 13.478 -10.756 1.00 0.00 C ATOM 1316 CD ARG A 83 5.416 12.535 -11.188 1.00 0.00 C ATOM 1317 NE ARG A 83 6.542 13.251 -11.781 1.00 0.00 N ATOM 1318 CZ ARG A 83 7.369 14.024 -11.085 1.00 0.00 C ATOM 1319 NH1 ARG A 83 7.197 14.178 -9.780 1.00 0.00 N ATOM 1320 NH2 ARG A 83 8.371 14.643 -11.696 1.00 0.00 N ATOM 0 H ARG A 83 0.979 11.690 -9.518 1.00 0.00 H new ATOM 0 HA ARG A 83 1.788 14.332 -9.694 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.306 12.533 -9.116 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.054 11.744 -10.661 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.972 14.068 -11.611 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.686 14.179 -10.014 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.763 11.965 -10.326 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.023 11.817 -11.908 1.00 0.00 H new ATOM 0 HE ARG A 83 6.702 13.153 -12.783 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.428 13.703 -9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.833 14.772 -9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.507 14.526 -12.700 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.006 15.236 -11.162 1.00 0.00 H new ATOM 1334 N HIS A 84 0.922 13.064 -12.564 1.00 0.00 N ATOM 1335 CA HIS A 84 0.676 13.372 -13.969 1.00 0.00 C ATOM 1336 C HIS A 84 -0.671 14.067 -14.145 1.00 0.00 C ATOM 1337 O HIS A 84 -0.730 15.250 -14.477 1.00 0.00 O ATOM 1338 CB HIS A 84 0.719 12.095 -14.808 1.00 0.00 C ATOM 1339 CG HIS A 84 0.164 12.266 -16.188 1.00 0.00 C ATOM 1340 ND1 HIS A 84 0.958 12.355 -17.312 1.00 0.00 N ATOM 1341 CD2 HIS A 84 -1.114 12.364 -16.623 1.00 0.00 C ATOM 1342 CE1 HIS A 84 0.192 12.502 -18.379 1.00 0.00 C ATOM 1343 NE2 HIS A 84 -1.070 12.510 -17.988 1.00 0.00 N ATOM 0 H HIS A 84 0.531 12.175 -12.252 1.00 0.00 H new ATOM 0 HA HIS A 84 1.460 14.048 -14.310 1.00 0.00 H new ATOM 0 HB2 HIS A 84 1.751 11.752 -14.880 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.159 11.314 -14.294 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -2.003 12.333 -16.011 1.00 0.00 H new ATOM 0 HE1 HIS A 84 0.539 12.599 -19.397 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -1.880 12.609 -18.600 1.00 0.00 H new ATOM 1351 N GLN A 85 -1.749 13.322 -13.922 1.00 0.00 N ATOM 1352 CA GLN A 85 -3.094 13.866 -14.058 1.00 0.00 C ATOM 1353 C GLN A 85 -3.167 15.284 -13.499 1.00 0.00 C ATOM 1354 O GLN A 85 -3.525 16.224 -14.208 1.00 0.00 O ATOM 1355 CB GLN A 85 -4.105 12.970 -13.341 1.00 0.00 C ATOM 1356 CG GLN A 85 -4.721 11.909 -14.238 1.00 0.00 C ATOM 1357 CD GLN A 85 -6.142 11.561 -13.841 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -7.098 12.185 -14.302 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -6.288 10.560 -12.980 1.00 0.00 N ATOM 0 H GLN A 85 -1.717 12.340 -13.646 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.339 13.900 -15.120 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.613 12.482 -12.500 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.900 13.591 -12.928 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.712 12.261 -15.269 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.107 11.009 -14.203 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.467 10.070 -12.623 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.221 10.281 -12.676 1.00 0.00 H new ATOM 1449 N ASP A 91 0.644 16.852 -7.201 1.00 0.00 N ATOM 1450 CA ASP A 91 0.861 15.557 -6.566 1.00 0.00 C ATOM 1451 C ASP A 91 0.758 15.672 -5.049 1.00 0.00 C ATOM 1452 O ASP A 91 1.212 16.651 -4.457 1.00 0.00 O ATOM 1453 CB ASP A 91 2.229 14.996 -6.956 1.00 0.00 C ATOM 1454 CG ASP A 91 3.354 15.585 -6.127 1.00 0.00 C ATOM 1455 OD1 ASP A 91 3.237 16.759 -5.719 1.00 0.00 O ATOM 1456 OD2 ASP A 91 4.351 14.872 -5.887 1.00 0.00 O ATOM 0 HA ASP A 91 0.085 14.875 -6.914 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.222 13.913 -6.836 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.414 15.199 -8.011 1.00 0.00 H new ATOM 1461 N VAL A 92 0.156 14.664 -4.424 1.00 0.00 N ATOM 1462 CA VAL A 92 -0.007 14.652 -2.975 1.00 0.00 C ATOM 1463 C VAL A 92 0.542 13.364 -2.371 1.00 0.00 C ATOM 1464 O VAL A 92 1.200 13.385 -1.331 1.00 0.00 O ATOM 1465 CB VAL A 92 -1.487 14.803 -2.575 1.00 0.00 C ATOM 1466 CG1 VAL A 92 -2.019 16.163 -3.001 1.00 0.00 C ATOM 1467 CG2 VAL A 92 -2.319 13.683 -3.180 1.00 0.00 C ATOM 0 H VAL A 92 -0.226 13.846 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 92 0.555 15.501 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.561 14.734 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.066 16.252 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.440 16.949 -2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.933 16.265 -4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.362 13.805 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.241 13.718 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.952 12.722 -2.820 1.00 0.00 H new ATOM 1477 N PHE A 93 0.267 12.244 -3.030 1.00 0.00 N ATOM 1478 CA PHE A 93 0.733 10.945 -2.559 1.00 0.00 C ATOM 1479 C PHE A 93 2.256 10.867 -2.597 1.00 0.00 C ATOM 1480 O PHE A 93 2.873 10.165 -1.797 1.00 0.00 O ATOM 1481 CB PHE A 93 0.132 9.824 -3.409 1.00 0.00 C ATOM 1482 CG PHE A 93 -1.364 9.899 -3.530 1.00 0.00 C ATOM 1483 CD1 PHE A 93 -1.955 10.701 -4.493 1.00 0.00 C ATOM 1484 CD2 PHE A 93 -2.178 9.168 -2.680 1.00 0.00 C ATOM 1485 CE1 PHE A 93 -3.330 10.773 -4.605 1.00 0.00 C ATOM 1486 CE2 PHE A 93 -3.555 9.235 -2.788 1.00 0.00 C ATOM 1487 CZ PHE A 93 -4.131 10.038 -3.753 1.00 0.00 C ATOM 0 H PHE A 93 -0.277 12.209 -3.892 1.00 0.00 H new ATOM 0 HA PHE A 93 0.406 10.823 -1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.571 9.859 -4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.406 8.863 -2.974 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.334 11.276 -5.164 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.732 8.539 -1.924 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.778 11.404 -5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -4.179 8.661 -2.119 1.00 0.00 H new ATOM 0 HZ PHE A 93 -5.206 10.091 -3.841 1.00 0.00 H new ATOM 1497 N ALA A 94 2.856 11.593 -3.535 1.00 0.00 N ATOM 1498 CA ALA A 94 4.307 11.608 -3.678 1.00 0.00 C ATOM 1499 C ALA A 94 4.977 12.150 -2.421 1.00 0.00 C ATOM 1500 O ALA A 94 5.777 11.474 -1.774 1.00 0.00 O ATOM 1501 CB ALA A 94 4.709 12.434 -4.891 1.00 0.00 C ATOM 0 H ALA A 94 2.360 12.178 -4.207 1.00 0.00 H new ATOM 0 HA ALA A 94 4.644 10.582 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.795 12.437 -4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.267 12.001 -5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.353 13.457 -4.769 1.00 0.00 H new ATOM 1507 N PRO A 95 4.645 13.400 -2.064 1.00 0.00 N ATOM 1508 CA PRO A 95 5.205 14.060 -0.881 1.00 0.00 C ATOM 1509 C PRO A 95 4.694 13.450 0.419 1.00 0.00 C ATOM 1510 O PRO A 95 5.349 13.542 1.458 1.00 0.00 O ATOM 1511 CB PRO A 95 4.720 15.506 -1.020 1.00 0.00 C ATOM 1512 CG PRO A 95 3.482 15.413 -1.843 1.00 0.00 C ATOM 1513 CD PRO A 95 3.698 14.264 -2.789 1.00 0.00 C ATOM 0 HA PRO A 95 6.290 13.962 -0.834 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.515 15.950 -0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.471 16.131 -1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.608 15.242 -1.215 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.306 16.340 -2.389 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.766 13.743 -3.009 1.00 0.00 H new ATOM 0 HD3 PRO A 95 4.108 14.599 -3.742 1.00 0.00 H new ATOM 1521 N ARG A 96 3.523 12.826 0.355 1.00 0.00 N ATOM 1522 CA ARG A 96 2.925 12.200 1.528 1.00 0.00 C ATOM 1523 C ARG A 96 3.589 10.859 1.827 1.00 0.00 C ATOM 1524 O ARG A 96 3.915 10.559 2.976 1.00 0.00 O ATOM 1525 CB ARG A 96 1.423 12.002 1.317 1.00 0.00 C ATOM 1526 CG ARG A 96 0.640 11.850 2.611 1.00 0.00 C ATOM 1527 CD ARG A 96 1.476 11.182 3.692 1.00 0.00 C ATOM 1528 NE ARG A 96 0.729 11.015 4.936 1.00 0.00 N ATOM 1529 CZ ARG A 96 1.141 10.254 5.944 1.00 0.00 C ATOM 1530 NH1 ARG A 96 2.288 9.594 5.855 1.00 0.00 N ATOM 1531 NH2 ARG A 96 0.406 10.152 7.044 1.00 0.00 N ATOM 0 H ARG A 96 2.969 12.740 -0.497 1.00 0.00 H new ATOM 0 HA ARG A 96 3.081 12.861 2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.028 12.852 0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.265 11.117 0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.312 12.830 2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.258 11.260 2.427 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.814 10.208 3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.368 11.779 3.882 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.157 11.510 5.036 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.856 9.670 5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.602 9.010 6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -0.477 10.658 7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.724 9.567 7.817 1.00 0.00 H new ATOM 1545 N PHE A 97 3.785 10.057 0.787 1.00 0.00 N ATOM 1546 CA PHE A 97 4.408 8.747 0.938 1.00 0.00 C ATOM 1547 C PHE A 97 5.850 8.884 1.419 1.00 0.00 C ATOM 1548 O PHE A 97 6.306 8.120 2.269 1.00 0.00 O ATOM 1549 CB PHE A 97 4.371 7.985 -0.388 1.00 0.00 C ATOM 1550 CG PHE A 97 3.079 7.255 -0.624 1.00 0.00 C ATOM 1551 CD1 PHE A 97 2.561 6.408 0.342 1.00 0.00 C ATOM 1552 CD2 PHE A 97 2.384 7.417 -1.811 1.00 0.00 C ATOM 1553 CE1 PHE A 97 1.373 5.734 0.127 1.00 0.00 C ATOM 1554 CE2 PHE A 97 1.195 6.746 -2.032 1.00 0.00 C ATOM 1555 CZ PHE A 97 0.689 5.905 -1.061 1.00 0.00 C ATOM 0 H PHE A 97 3.522 10.291 -0.170 1.00 0.00 H new ATOM 0 HA PHE A 97 3.845 8.188 1.686 1.00 0.00 H new ATOM 0 HB2 PHE A 97 4.537 8.686 -1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 97 5.193 7.269 -0.410 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.091 6.273 1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.775 8.075 -2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.980 5.075 0.887 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.663 6.880 -2.962 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.240 5.381 -1.230 1.00 0.00 H new ATOM 1565 N SER A 98 6.561 9.861 0.867 1.00 0.00 N ATOM 1566 CA SER A 98 7.953 10.096 1.236 1.00 0.00 C ATOM 1567 C SER A 98 8.097 10.243 2.747 1.00 0.00 C ATOM 1568 O SER A 98 9.096 9.824 3.330 1.00 0.00 O ATOM 1569 CB SER A 98 8.483 11.349 0.536 1.00 0.00 C ATOM 1570 OG SER A 98 8.378 11.230 -0.872 1.00 0.00 O ATOM 0 H SER A 98 6.197 10.503 0.163 1.00 0.00 H new ATOM 0 HA SER A 98 8.539 9.235 0.916 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.924 12.222 0.873 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.524 11.511 0.814 1.00 0.00 H new ATOM 0 HG SER A 98 7.444 11.354 -1.142 1.00 0.00 H new ATOM 1576 N ASN A 99 7.091 10.843 3.375 1.00 0.00 N ATOM 1577 CA ASN A 99 7.104 11.047 4.819 1.00 0.00 C ATOM 1578 C ASN A 99 7.594 9.795 5.541 1.00 0.00 C ATOM 1579 O ASN A 99 8.688 9.779 6.104 1.00 0.00 O ATOM 1580 CB ASN A 99 5.706 11.422 5.316 1.00 0.00 C ATOM 1581 CG ASN A 99 5.229 12.747 4.754 1.00 0.00 C ATOM 1582 OD1 ASN A 99 6.007 13.503 4.172 1.00 0.00 O ATOM 1583 ND2 ASN A 99 3.945 13.035 4.928 1.00 0.00 N ATOM 0 H ASN A 99 6.257 11.196 2.907 1.00 0.00 H new ATOM 0 HA ASN A 99 7.791 11.864 5.039 1.00 0.00 H new ATOM 0 HB2 ASN A 99 5.002 10.638 5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 99 5.712 11.473 6.405 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.567 13.913 4.573 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.337 12.378 5.417 1.00 0.00 H new ATOM 1590 N ASN A 100 6.776 8.748 5.519 1.00 0.00 N ATOM 1591 CA ASN A 100 7.125 7.491 6.172 1.00 0.00 C ATOM 1592 C ASN A 100 7.396 6.400 5.140 1.00 0.00 C ATOM 1593 O ASN A 100 7.350 5.210 5.454 1.00 0.00 O ATOM 1594 CB ASN A 100 6.002 7.052 7.113 1.00 0.00 C ATOM 1595 CG ASN A 100 5.332 8.225 7.801 1.00 0.00 C ATOM 1596 OD1 ASN A 100 4.168 8.531 7.539 1.00 0.00 O ATOM 1597 ND2 ASN A 100 6.065 8.889 8.687 1.00 0.00 N ATOM 0 H ASN A 100 5.867 8.745 5.056 1.00 0.00 H new ATOM 0 HA ASN A 100 8.033 7.651 6.753 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.257 6.492 6.548 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.406 6.375 7.866 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.668 9.688 9.182 1.00 0.00 H new ATOM 0 HD22 ASN A 100 7.026 8.600 8.873 1.00 0.00 H new ATOM 1604 N ILE A 101 7.680 6.814 3.910 1.00 0.00 N ATOM 1605 CA ILE A 101 7.960 5.872 2.833 1.00 0.00 C ATOM 1606 C ILE A 101 8.771 4.684 3.339 1.00 0.00 C ATOM 1607 O ILE A 101 8.512 3.539 2.967 1.00 0.00 O ATOM 1608 CB ILE A 101 8.724 6.547 1.679 1.00 0.00 C ATOM 1609 CG1 ILE A 101 8.989 5.542 0.557 1.00 0.00 C ATOM 1610 CG2 ILE A 101 10.030 7.141 2.185 1.00 0.00 C ATOM 1611 CD1 ILE A 101 7.897 5.503 -0.490 1.00 0.00 C ATOM 0 H ILE A 101 7.722 7.795 3.634 1.00 0.00 H new ATOM 0 HA ILE A 101 6.997 5.520 2.463 1.00 0.00 H new ATOM 0 HB ILE A 101 8.110 7.355 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.935 5.789 0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.102 4.548 0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.559 7.615 1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 101 9.818 7.884 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 101 10.650 6.350 2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.152 4.769 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 101 6.953 5.226 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.799 6.486 -0.950 1.00 0.00 H new ATOM 1623 N ILE A 102 9.752 4.964 4.190 1.00 0.00 N ATOM 1624 CA ILE A 102 10.599 3.919 4.750 1.00 0.00 C ATOM 1625 C ILE A 102 9.769 2.878 5.494 1.00 0.00 C ATOM 1626 O ILE A 102 9.815 1.690 5.176 1.00 0.00 O ATOM 1627 CB ILE A 102 11.653 4.501 5.710 1.00 0.00 C ATOM 1628 CG1 ILE A 102 12.492 5.564 4.998 1.00 0.00 C ATOM 1629 CG2 ILE A 102 12.542 3.394 6.256 1.00 0.00 C ATOM 1630 CD1 ILE A 102 13.375 5.004 3.905 1.00 0.00 C ATOM 0 H ILE A 102 9.980 5.906 4.507 1.00 0.00 H new ATOM 0 HA ILE A 102 11.108 3.443 3.912 1.00 0.00 H new ATOM 0 HB ILE A 102 11.139 4.972 6.547 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.827 6.313 4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.115 6.075 5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 102 13.282 3.822 6.933 1.00 0.00 H new ATOM 0 HG22 ILE A 102 11.932 2.670 6.796 1.00 0.00 H new ATOM 0 HG23 ILE A 102 13.051 2.896 5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 102 13.941 5.814 3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.065 4.276 4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 102 12.756 4.518 3.151 1.00 0.00 H new ATOM 1642 N SER A 103 9.010 3.333 6.485 1.00 0.00 N ATOM 1643 CA SER A 103 8.170 2.441 7.276 1.00 0.00 C ATOM 1644 C SER A 103 7.253 1.619 6.376 1.00 0.00 C ATOM 1645 O SER A 103 6.989 0.446 6.644 1.00 0.00 O ATOM 1646 CB SER A 103 7.336 3.245 8.275 1.00 0.00 C ATOM 1647 OG SER A 103 7.068 2.487 9.442 1.00 0.00 O ATOM 0 H SER A 103 8.959 4.314 6.760 1.00 0.00 H new ATOM 0 HA SER A 103 8.821 1.759 7.823 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.867 4.158 8.545 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.397 3.547 7.810 1.00 0.00 H new ATOM 0 HG SER A 103 6.535 3.024 10.065 1.00 0.00 H new ATOM 1653 N THR A 104 6.769 2.242 5.306 1.00 0.00 N ATOM 1654 CA THR A 104 5.881 1.570 4.367 1.00 0.00 C ATOM 1655 C THR A 104 6.600 0.437 3.644 1.00 0.00 C ATOM 1656 O THR A 104 6.092 -0.682 3.561 1.00 0.00 O ATOM 1657 CB THR A 104 5.318 2.553 3.323 1.00 0.00 C ATOM 1658 OG1 THR A 104 4.486 3.526 3.965 1.00 0.00 O ATOM 1659 CG2 THR A 104 4.518 1.816 2.261 1.00 0.00 C ATOM 0 H THR A 104 6.978 3.212 5.069 1.00 0.00 H new ATOM 0 HA THR A 104 5.057 1.160 4.951 1.00 0.00 H new ATOM 0 HB THR A 104 6.157 3.054 2.840 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.386 4.307 3.382 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.131 2.531 1.535 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.162 1.097 1.754 1.00 0.00 H new ATOM 0 HG23 THR A 104 3.687 1.290 2.731 1.00 0.00 H new ATOM 1667 N PHE A 105 7.786 0.732 3.123 1.00 0.00 N ATOM 1668 CA PHE A 105 8.576 -0.262 2.407 1.00 0.00 C ATOM 1669 C PHE A 105 9.007 -1.390 3.340 1.00 0.00 C ATOM 1670 O PHE A 105 9.029 -2.557 2.951 1.00 0.00 O ATOM 1671 CB PHE A 105 9.807 0.391 1.775 1.00 0.00 C ATOM 1672 CG PHE A 105 9.563 0.916 0.389 1.00 0.00 C ATOM 1673 CD1 PHE A 105 8.510 1.780 0.137 1.00 0.00 C ATOM 1674 CD2 PHE A 105 10.386 0.544 -0.661 1.00 0.00 C ATOM 1675 CE1 PHE A 105 8.283 2.266 -1.137 1.00 0.00 C ATOM 1676 CE2 PHE A 105 10.164 1.026 -1.937 1.00 0.00 C ATOM 1677 CZ PHE A 105 9.111 1.887 -2.176 1.00 0.00 C ATOM 0 H PHE A 105 8.221 1.652 3.183 1.00 0.00 H new ATOM 0 HA PHE A 105 7.953 -0.684 1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 105 10.141 1.210 2.412 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.618 -0.337 1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.859 2.077 0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 105 11.210 -0.130 -0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 105 7.460 2.941 -1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 105 10.814 0.729 -2.747 1.00 0.00 H new ATOM 0 HZ PHE A 105 8.935 2.263 -3.173 1.00 0.00 H new ATOM 1687 N GLN A 106 9.350 -1.031 4.573 1.00 0.00 N ATOM 1688 CA GLN A 106 9.782 -2.011 5.562 1.00 0.00 C ATOM 1689 C GLN A 106 8.820 -3.194 5.612 1.00 0.00 C ATOM 1690 O GLN A 106 9.240 -4.350 5.567 1.00 0.00 O ATOM 1691 CB GLN A 106 9.884 -1.363 6.944 1.00 0.00 C ATOM 1692 CG GLN A 106 10.985 -0.320 7.047 1.00 0.00 C ATOM 1693 CD GLN A 106 12.312 -0.913 7.476 1.00 0.00 C ATOM 1694 OE1 GLN A 106 12.364 -1.787 8.343 1.00 0.00 O ATOM 1695 NE2 GLN A 106 13.396 -0.441 6.871 1.00 0.00 N ATOM 0 H GLN A 106 9.337 -0.069 4.911 1.00 0.00 H new ATOM 0 HA GLN A 106 10.765 -2.377 5.267 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.930 -0.897 7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.060 -2.140 7.688 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.106 0.171 6.082 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.687 0.448 7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.308 0.283 6.158 1.00 0.00 H new ATOM 0 HE22 GLN A 106 14.317 -0.803 7.119 1.00 0.00 H new ATOM 1704 N ASN A 107 7.528 -2.896 5.705 1.00 0.00 N ATOM 1705 CA ASN A 107 6.507 -3.935 5.762 1.00 0.00 C ATOM 1706 C ASN A 107 6.461 -4.725 4.457 1.00 0.00 C ATOM 1707 O ASN A 107 5.926 -5.834 4.408 1.00 0.00 O ATOM 1708 CB ASN A 107 5.136 -3.317 6.044 1.00 0.00 C ATOM 1709 CG ASN A 107 5.162 -2.372 7.230 1.00 0.00 C ATOM 1710 OD1 ASN A 107 6.143 -2.315 7.972 1.00 0.00 O ATOM 1711 ND2 ASN A 107 4.080 -1.625 7.415 1.00 0.00 N ATOM 0 H ASN A 107 7.164 -1.944 5.742 1.00 0.00 H new ATOM 0 HA ASN A 107 6.765 -4.618 6.571 1.00 0.00 H new ATOM 0 HB2 ASN A 107 4.795 -2.778 5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 107 4.414 -4.112 6.231 1.00 0.00 H new ATOM 0 HD21 ASN A 107 4.039 -0.971 8.197 1.00 0.00 H new ATOM 0 HD22 ASN A 107 3.290 -1.705 6.775 1.00 0.00 H new ATOM 1718 N LEU A 108 7.026 -4.148 3.402 1.00 0.00 N ATOM 1719 CA LEU A 108 7.052 -4.798 2.097 1.00 0.00 C ATOM 1720 C LEU A 108 8.330 -5.611 1.917 1.00 0.00 C ATOM 1721 O LEU A 108 8.334 -6.639 1.240 1.00 0.00 O ATOM 1722 CB LEU A 108 6.937 -3.755 0.984 1.00 0.00 C ATOM 1723 CG LEU A 108 5.738 -2.810 1.071 1.00 0.00 C ATOM 1724 CD1 LEU A 108 5.972 -1.571 0.221 1.00 0.00 C ATOM 1725 CD2 LEU A 108 4.465 -3.523 0.638 1.00 0.00 C ATOM 0 H LEU A 108 7.472 -3.231 3.425 1.00 0.00 H new ATOM 0 HA LEU A 108 6.201 -5.477 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.847 -3.155 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.895 -4.276 0.028 1.00 0.00 H new ATOM 0 HG LEU A 108 5.621 -2.497 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.108 -0.910 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.860 -1.049 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.115 -1.865 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.622 -2.836 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.572 -3.865 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 108 4.288 -4.379 1.289 1.00 0.00 H new ATOM 1737 N TYR A 109 9.412 -5.145 2.531 1.00 0.00 N ATOM 1738 CA TYR A 109 10.696 -5.828 2.439 1.00 0.00 C ATOM 1739 C TYR A 109 10.745 -7.026 3.384 1.00 0.00 C ATOM 1740 O TYR A 109 11.790 -7.655 3.553 1.00 0.00 O ATOM 1741 CB TYR A 109 11.836 -4.862 2.764 1.00 0.00 C ATOM 1742 CG TYR A 109 12.167 -3.914 1.633 1.00 0.00 C ATOM 1743 CD1 TYR A 109 12.334 -4.381 0.335 1.00 0.00 C ATOM 1744 CD2 TYR A 109 12.311 -2.551 1.863 1.00 0.00 C ATOM 1745 CE1 TYR A 109 12.637 -3.518 -0.700 1.00 0.00 C ATOM 1746 CE2 TYR A 109 12.613 -1.681 0.833 1.00 0.00 C ATOM 1747 CZ TYR A 109 12.775 -2.170 -0.447 1.00 0.00 C ATOM 1748 OH TYR A 109 13.075 -1.307 -1.476 1.00 0.00 O ATOM 0 H TYR A 109 9.425 -4.297 3.098 1.00 0.00 H new ATOM 0 HA TYR A 109 10.814 -6.189 1.417 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.569 -4.282 3.647 1.00 0.00 H new ATOM 0 HB3 TYR A 109 12.727 -5.437 3.018 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.225 -5.436 0.132 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.185 -2.165 2.864 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.765 -3.898 -1.703 1.00 0.00 H new ATOM 0 HE2 TYR A 109 12.722 -0.624 1.029 1.00 0.00 H new ATOM 0 HH TYR A 109 13.952 -0.900 -1.316 1.00 0.00 H new ATOM 1758 N ARG A 110 9.607 -7.335 3.996 1.00 0.00 N ATOM 1759 CA ARG A 110 9.518 -8.456 4.924 1.00 0.00 C ATOM 1760 C ARG A 110 9.305 -9.767 4.174 1.00 0.00 C ATOM 1761 O ARG A 110 9.482 -10.850 4.733 1.00 0.00 O ATOM 1762 CB ARG A 110 8.378 -8.233 5.918 1.00 0.00 C ATOM 1763 CG ARG A 110 8.383 -6.852 6.553 1.00 0.00 C ATOM 1764 CD ARG A 110 7.767 -6.875 7.943 1.00 0.00 C ATOM 1765 NE ARG A 110 8.496 -7.758 8.850 1.00 0.00 N ATOM 1766 CZ ARG A 110 8.462 -7.643 10.173 1.00 0.00 C ATOM 1767 NH1 ARG A 110 7.737 -6.689 10.740 1.00 0.00 N ATOM 1768 NH2 ARG A 110 9.152 -8.485 10.931 1.00 0.00 N ATOM 0 H ARG A 110 8.733 -6.825 3.866 1.00 0.00 H new ATOM 0 HA ARG A 110 10.459 -8.519 5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 110 7.427 -8.385 5.407 1.00 0.00 H new ATOM 0 HB3 ARG A 110 8.441 -8.985 6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 110 9.407 -6.482 6.614 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.830 -6.158 5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 110 7.756 -5.865 8.352 1.00 0.00 H new ATOM 0 HD3 ARG A 110 6.730 -7.202 7.874 1.00 0.00 H new ATOM 0 HE ARG A 110 9.062 -8.504 8.445 1.00 0.00 H new ATOM 0 HH11 ARG A 110 7.204 -6.041 10.160 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.713 -6.603 11.756 1.00 0.00 H new ATOM 0 HH21 ARG A 110 9.709 -9.221 10.498 1.00 0.00 H new ATOM 0 HH22 ARG A 110 9.125 -8.396 11.947 1.00 0.00 H new ATOM 1782 N CYS A 111 8.924 -9.662 2.906 1.00 0.00 N ATOM 1783 CA CYS A 111 8.685 -10.839 2.079 1.00 0.00 C ATOM 1784 C CYS A 111 9.889 -11.775 2.105 1.00 0.00 C ATOM 1785 O CYS A 111 11.009 -11.377 2.424 1.00 0.00 O ATOM 1786 CB CYS A 111 8.378 -10.424 0.639 1.00 0.00 C ATOM 1787 SG CYS A 111 9.466 -9.131 -0.004 1.00 0.00 S ATOM 0 H CYS A 111 8.774 -8.773 2.428 1.00 0.00 H new ATOM 0 HA CYS A 111 7.825 -11.370 2.487 1.00 0.00 H new ATOM 0 HB2 CYS A 111 8.453 -11.301 -0.004 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.346 -10.076 0.584 1.00 0.00 H new ATOM 0 HG CYS A 111 9.100 -7.979 0.474 1.00 0.00 H new ATOM 1793 N PRO A 112 9.655 -13.051 1.762 1.00 0.00 N ATOM 1794 CA PRO A 112 10.707 -14.071 1.740 1.00 0.00 C ATOM 1795 C PRO A 112 11.957 -13.597 1.006 1.00 0.00 C ATOM 1796 O PRO A 112 13.049 -14.124 1.215 1.00 0.00 O ATOM 1797 CB PRO A 112 10.057 -15.236 0.990 1.00 0.00 C ATOM 1798 CG PRO A 112 8.595 -15.065 1.220 1.00 0.00 C ATOM 1799 CD PRO A 112 8.344 -13.596 1.371 1.00 0.00 C ATOM 0 HA PRO A 112 11.046 -14.329 2.743 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.297 -15.206 -0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.408 -16.196 1.369 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.023 -15.470 0.385 1.00 0.00 H new ATOM 0 HG3 PRO A 112 8.280 -15.604 2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.989 -13.154 0.440 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.586 -13.396 2.128 1.00 0.00 H new ATOM 1807 N GLY A 113 11.790 -12.598 0.144 1.00 0.00 N ATOM 1808 CA GLY A 113 12.914 -12.071 -0.607 1.00 0.00 C ATOM 1809 C GLY A 113 12.762 -12.280 -2.101 1.00 0.00 C ATOM 1810 O GLY A 113 13.130 -11.416 -2.896 1.00 0.00 O ATOM 0 H GLY A 113 10.896 -12.145 -0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 113 13.017 -11.006 -0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 113 13.831 -12.552 -0.267 1.00 0.00 H new ATOM 1814 N ASP A 114 12.220 -13.431 -2.483 1.00 0.00 N ATOM 1815 CA ASP A 114 12.021 -13.753 -3.891 1.00 0.00 C ATOM 1816 C ASP A 114 11.091 -12.741 -4.553 1.00 0.00 C ATOM 1817 O ASP A 114 10.932 -12.735 -5.774 1.00 0.00 O ATOM 1818 CB ASP A 114 11.449 -15.163 -4.039 1.00 0.00 C ATOM 1819 CG ASP A 114 10.073 -15.297 -3.416 1.00 0.00 C ATOM 1820 OD1 ASP A 114 9.121 -14.684 -3.942 1.00 0.00 O ATOM 1821 OD2 ASP A 114 9.948 -16.015 -2.402 1.00 0.00 O ATOM 0 H ASP A 114 11.910 -14.157 -1.837 1.00 0.00 H new ATOM 0 HA ASP A 114 12.990 -13.709 -4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 114 11.393 -15.420 -5.097 1.00 0.00 H new ATOM 0 HB3 ASP A 114 12.127 -15.878 -3.573 1.00 0.00 H new ATOM 1826 N ASP A 115 10.479 -11.887 -3.740 1.00 0.00 N ATOM 1827 CA ASP A 115 9.564 -10.871 -4.246 1.00 0.00 C ATOM 1828 C ASP A 115 10.197 -9.485 -4.172 1.00 0.00 C ATOM 1829 O ASP A 115 9.763 -8.554 -4.852 1.00 0.00 O ATOM 1830 CB ASP A 115 8.256 -10.891 -3.454 1.00 0.00 C ATOM 1831 CG ASP A 115 7.866 -12.289 -3.017 1.00 0.00 C ATOM 1832 OD1 ASP A 115 8.501 -12.817 -2.081 1.00 0.00 O ATOM 1833 OD2 ASP A 115 6.925 -12.856 -3.611 1.00 0.00 O ATOM 0 H ASP A 115 10.600 -11.878 -2.727 1.00 0.00 H new ATOM 0 HA ASP A 115 9.350 -11.098 -5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 115 8.357 -10.254 -2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 115 7.458 -10.468 -4.065 1.00 0.00 H new ATOM 1838 N LYS A 116 11.225 -9.353 -3.340 1.00 0.00 N ATOM 1839 CA LYS A 116 11.919 -8.081 -3.176 1.00 0.00 C ATOM 1840 C LYS A 116 12.191 -7.431 -4.529 1.00 0.00 C ATOM 1841 O LYS A 116 12.043 -6.219 -4.686 1.00 0.00 O ATOM 1842 CB LYS A 116 13.236 -8.289 -2.424 1.00 0.00 C ATOM 1843 CG LYS A 116 13.097 -8.186 -0.915 1.00 0.00 C ATOM 1844 CD LYS A 116 14.388 -8.567 -0.209 1.00 0.00 C ATOM 1845 CE LYS A 116 14.344 -8.203 1.267 1.00 0.00 C ATOM 1846 NZ LYS A 116 15.663 -8.406 1.928 1.00 0.00 N ATOM 0 H LYS A 116 11.596 -10.112 -2.769 1.00 0.00 H new ATOM 0 HA LYS A 116 11.277 -7.417 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.638 -9.270 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.960 -7.549 -2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.819 -7.168 -0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.291 -8.837 -0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.560 -9.638 -0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.228 -8.060 -0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 116 14.040 -7.162 1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.589 -8.809 1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 15.539 -8.396 2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 16.060 -9.322 1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.312 -7.642 1.650 1.00 0.00 H new ATOM 1860 N SER A 117 12.588 -8.244 -5.502 1.00 0.00 N ATOM 1861 CA SER A 117 12.883 -7.747 -6.841 1.00 0.00 C ATOM 1862 C SER A 117 11.734 -6.893 -7.368 1.00 0.00 C ATOM 1863 O SER A 117 11.952 -5.855 -7.994 1.00 0.00 O ATOM 1864 CB SER A 117 13.145 -8.914 -7.795 1.00 0.00 C ATOM 1865 OG SER A 117 13.782 -8.471 -8.980 1.00 0.00 O ATOM 0 H SER A 117 12.713 -9.250 -5.389 1.00 0.00 H new ATOM 0 HA SER A 117 13.777 -7.127 -6.783 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.768 -9.659 -7.300 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.203 -9.402 -8.045 1.00 0.00 H new ATOM 0 HG SER A 117 13.940 -9.236 -9.572 1.00 0.00 H new ATOM 1871 N LYS A 118 10.508 -7.337 -7.111 1.00 0.00 N ATOM 1872 CA LYS A 118 9.323 -6.614 -7.557 1.00 0.00 C ATOM 1873 C LYS A 118 9.177 -5.293 -6.809 1.00 0.00 C ATOM 1874 O LYS A 118 8.498 -4.378 -7.274 1.00 0.00 O ATOM 1875 CB LYS A 118 8.071 -7.470 -7.351 1.00 0.00 C ATOM 1876 CG LYS A 118 7.825 -8.467 -8.470 1.00 0.00 C ATOM 1877 CD LYS A 118 8.532 -9.786 -8.207 1.00 0.00 C ATOM 1878 CE LYS A 118 8.240 -10.803 -9.300 1.00 0.00 C ATOM 1879 NZ LYS A 118 9.147 -10.636 -10.469 1.00 0.00 N ATOM 0 H LYS A 118 10.309 -8.195 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 118 9.438 -6.398 -8.619 1.00 0.00 H new ATOM 0 HB2 LYS A 118 8.161 -8.010 -6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.204 -6.815 -7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.754 -8.642 -8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.173 -8.049 -9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.607 -9.617 -8.143 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.214 -10.185 -7.244 1.00 0.00 H new ATOM 0 HE2 LYS A 118 8.348 -11.810 -8.897 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.205 -10.699 -9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 8.916 -11.347 -11.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 9.026 -9.684 -10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 10.133 -10.760 -10.164 1.00 0.00 H new ATOM 1893 N ILE A 119 9.820 -5.201 -5.650 1.00 0.00 N ATOM 1894 CA ILE A 119 9.764 -3.991 -4.840 1.00 0.00 C ATOM 1895 C ILE A 119 10.864 -3.012 -5.235 1.00 0.00 C ATOM 1896 O ILE A 119 10.649 -1.801 -5.275 1.00 0.00 O ATOM 1897 CB ILE A 119 9.892 -4.311 -3.339 1.00 0.00 C ATOM 1898 CG1 ILE A 119 8.870 -5.374 -2.933 1.00 0.00 C ATOM 1899 CG2 ILE A 119 9.709 -3.048 -2.510 1.00 0.00 C ATOM 1900 CD1 ILE A 119 9.067 -5.896 -1.527 1.00 0.00 C ATOM 0 H ILE A 119 10.386 -5.950 -5.251 1.00 0.00 H new ATOM 0 HA ILE A 119 8.792 -3.534 -5.024 1.00 0.00 H new ATOM 0 HB ILE A 119 10.891 -4.704 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.868 -4.954 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 119 8.928 -6.208 -3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.802 -3.291 -1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 119 10.472 -2.319 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 119 8.721 -2.628 -2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.307 -6.646 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 119 10.056 -6.346 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.980 -5.073 -0.818 1.00 0.00 H new ATOM 1912 N VAL A 120 12.045 -3.546 -5.530 1.00 0.00 N ATOM 1913 CA VAL A 120 13.180 -2.721 -5.926 1.00 0.00 C ATOM 1914 C VAL A 120 13.025 -2.226 -7.360 1.00 0.00 C ATOM 1915 O VAL A 120 13.447 -1.118 -7.693 1.00 0.00 O ATOM 1916 CB VAL A 120 14.507 -3.494 -5.802 1.00 0.00 C ATOM 1917 CG1 VAL A 120 14.587 -4.205 -4.460 1.00 0.00 C ATOM 1918 CG2 VAL A 120 14.655 -4.484 -6.948 1.00 0.00 C ATOM 0 H VAL A 120 12.241 -4.547 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 120 13.202 -1.867 -5.249 1.00 0.00 H new ATOM 0 HB VAL A 120 15.330 -2.781 -5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 120 15.531 -4.746 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 120 14.529 -3.472 -3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 120 13.759 -4.908 -4.371 1.00 0.00 H new ATOM 0 HG21 VAL A 120 15.598 -5.021 -6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 120 13.828 -5.194 -6.925 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.645 -3.947 -7.896 1.00 0.00 H new ATOM 1928 N ARG A 121 12.418 -3.053 -8.204 1.00 0.00 N ATOM 1929 CA ARG A 121 12.207 -2.699 -9.602 1.00 0.00 C ATOM 1930 C ARG A 121 11.390 -1.416 -9.722 1.00 0.00 C ATOM 1931 O ARG A 121 11.502 -0.685 -10.706 1.00 0.00 O ATOM 1932 CB ARG A 121 11.499 -3.838 -10.338 1.00 0.00 C ATOM 1933 CG ARG A 121 10.014 -3.931 -10.029 1.00 0.00 C ATOM 1934 CD ARG A 121 9.246 -4.575 -11.173 1.00 0.00 C ATOM 1935 NE ARG A 121 9.683 -4.077 -12.474 1.00 0.00 N ATOM 1936 CZ ARG A 121 9.543 -4.757 -13.607 1.00 0.00 C ATOM 1937 NH1 ARG A 121 8.980 -5.957 -13.598 1.00 0.00 N ATOM 1938 NH2 ARG A 121 9.966 -4.236 -14.751 1.00 0.00 N ATOM 0 H ARG A 121 12.063 -3.973 -7.944 1.00 0.00 H new ATOM 0 HA ARG A 121 13.183 -2.532 -10.059 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.631 -3.703 -11.412 1.00 0.00 H new ATOM 0 HB3 ARG A 121 11.976 -4.782 -10.075 1.00 0.00 H new ATOM 0 HG2 ARG A 121 9.866 -4.511 -9.118 1.00 0.00 H new ATOM 0 HG3 ARG A 121 9.618 -2.934 -9.839 1.00 0.00 H new ATOM 0 HD2 ARG A 121 9.379 -5.656 -11.135 1.00 0.00 H new ATOM 0 HD3 ARG A 121 8.181 -4.380 -11.049 1.00 0.00 H new ATOM 0 HE ARG A 121 10.120 -3.156 -12.516 1.00 0.00 H new ATOM 0 HH11 ARG A 121 8.653 -6.360 -12.720 1.00 0.00 H new ATOM 0 HH12 ARG A 121 8.874 -6.477 -14.469 1.00 0.00 H new ATOM 0 HH21 ARG A 121 10.399 -3.313 -14.762 1.00 0.00 H new ATOM 0 HH22 ARG A 121 9.858 -4.759 -15.620 1.00 0.00 H new ATOM 1952 N VAL A 122 10.567 -1.149 -8.712 1.00 0.00 N ATOM 1953 CA VAL A 122 9.731 0.046 -8.704 1.00 0.00 C ATOM 1954 C VAL A 122 10.565 1.298 -8.458 1.00 0.00 C ATOM 1955 O VAL A 122 10.406 2.308 -9.144 1.00 0.00 O ATOM 1956 CB VAL A 122 8.633 -0.046 -7.628 1.00 0.00 C ATOM 1957 CG1 VAL A 122 7.630 1.086 -7.790 1.00 0.00 C ATOM 1958 CG2 VAL A 122 7.938 -1.398 -7.690 1.00 0.00 C ATOM 0 H VAL A 122 10.462 -1.743 -7.890 1.00 0.00 H new ATOM 0 HA VAL A 122 9.263 0.112 -9.686 1.00 0.00 H new ATOM 0 HB VAL A 122 9.100 0.052 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 122 6.862 1.004 -7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.142 2.043 -7.691 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.166 1.023 -8.774 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.165 -1.445 -6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.483 -1.529 -8.672 1.00 0.00 H new ATOM 0 HG23 VAL A 122 8.667 -2.190 -7.520 1.00 0.00 H new ATOM 1968 N LEU A 123 11.455 1.226 -7.474 1.00 0.00 N ATOM 1969 CA LEU A 123 12.316 2.354 -7.137 1.00 0.00 C ATOM 1970 C LEU A 123 13.067 2.853 -8.367 1.00 0.00 C ATOM 1971 O LEU A 123 13.097 4.051 -8.645 1.00 0.00 O ATOM 1972 CB LEU A 123 13.310 1.954 -6.045 1.00 0.00 C ATOM 1973 CG LEU A 123 12.703 1.518 -4.711 1.00 0.00 C ATOM 1974 CD1 LEU A 123 13.793 1.073 -3.749 1.00 0.00 C ATOM 1975 CD2 LEU A 123 11.881 2.646 -4.105 1.00 0.00 C ATOM 0 H LEU A 123 11.599 0.398 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 123 11.686 3.163 -6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 123 13.927 1.139 -6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 123 13.975 2.798 -5.860 1.00 0.00 H new ATOM 0 HG LEU A 123 12.041 0.671 -4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 123 13.342 0.766 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 123 14.338 0.234 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 123 14.481 1.900 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 123 11.457 2.318 -3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 123 12.521 3.512 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 123 11.076 2.917 -4.788 1.00 0.00 H new ATOM 1987 N ASN A 124 13.671 1.924 -9.102 1.00 0.00 N ATOM 1988 CA ASN A 124 14.421 2.270 -10.304 1.00 0.00 C ATOM 1989 C ASN A 124 13.554 3.063 -11.277 1.00 0.00 C ATOM 1990 O ASN A 124 14.034 3.977 -11.949 1.00 0.00 O ATOM 1991 CB ASN A 124 14.944 1.003 -10.985 1.00 0.00 C ATOM 1992 CG ASN A 124 16.248 0.518 -10.382 1.00 0.00 C ATOM 1993 OD1 ASN A 124 17.315 1.064 -10.662 1.00 0.00 O ATOM 1994 ND2 ASN A 124 16.166 -0.512 -9.548 1.00 0.00 N ATOM 0 H ASN A 124 13.656 0.927 -8.886 1.00 0.00 H new ATOM 0 HA ASN A 124 15.266 2.892 -10.009 1.00 0.00 H new ATOM 0 HB2 ASN A 124 14.195 0.215 -10.905 1.00 0.00 H new ATOM 0 HB3 ASN A 124 15.089 1.198 -12.048 1.00 0.00 H new ATOM 0 HD21 ASN A 124 17.010 -0.882 -9.110 1.00 0.00 H new ATOM 0 HD22 ASN A 124 15.259 -0.933 -9.345 1.00 0.00 H new ATOM 2001 N LEU A 125 12.276 2.708 -11.346 1.00 0.00 N ATOM 2002 CA LEU A 125 11.341 3.388 -12.236 1.00 0.00 C ATOM 2003 C LEU A 125 11.006 4.781 -11.714 1.00 0.00 C ATOM 2004 O LEU A 125 10.890 5.733 -12.485 1.00 0.00 O ATOM 2005 CB LEU A 125 10.060 2.565 -12.386 1.00 0.00 C ATOM 2006 CG LEU A 125 10.130 1.384 -13.354 1.00 0.00 C ATOM 2007 CD1 LEU A 125 9.049 0.364 -13.032 1.00 0.00 C ATOM 2008 CD2 LEU A 125 10.000 1.865 -14.792 1.00 0.00 C ATOM 0 H LEU A 125 11.863 1.954 -10.797 1.00 0.00 H new ATOM 0 HA LEU A 125 11.816 3.491 -13.212 1.00 0.00 H new ATOM 0 HB2 LEU A 125 9.778 2.187 -11.403 1.00 0.00 H new ATOM 0 HB3 LEU A 125 9.261 3.230 -12.713 1.00 0.00 H new ATOM 0 HG LEU A 125 11.101 0.902 -13.239 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.115 -0.469 -13.732 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.187 -0.004 -12.015 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.069 0.833 -13.118 1.00 0.00 H new ATOM 0 HD21 LEU A 125 10.052 1.011 -15.467 1.00 0.00 H new ATOM 0 HD22 LEU A 125 9.044 2.372 -14.921 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.811 2.557 -15.019 1.00 0.00 H new ATOM 2020 N TRP A 126 10.853 4.893 -10.399 1.00 0.00 N ATOM 2021 CA TRP A 126 10.533 6.171 -9.773 1.00 0.00 C ATOM 2022 C TRP A 126 11.644 7.187 -10.013 1.00 0.00 C ATOM 2023 O TRP A 126 11.389 8.301 -10.472 1.00 0.00 O ATOM 2024 CB TRP A 126 10.311 5.985 -8.271 1.00 0.00 C ATOM 2025 CG TRP A 126 8.950 5.455 -7.933 1.00 0.00 C ATOM 2026 CD1 TRP A 126 7.892 5.310 -8.785 1.00 0.00 C ATOM 2027 CD2 TRP A 126 8.501 5.003 -6.651 1.00 0.00 C ATOM 2028 NE1 TRP A 126 6.813 4.795 -8.109 1.00 0.00 N ATOM 2029 CE2 TRP A 126 7.160 4.597 -6.799 1.00 0.00 C ATOM 2030 CE3 TRP A 126 9.101 4.900 -5.393 1.00 0.00 C ATOM 2031 CZ2 TRP A 126 6.412 4.098 -5.736 1.00 0.00 C ATOM 2032 CZ3 TRP A 126 8.357 4.405 -4.339 1.00 0.00 C ATOM 2033 CH2 TRP A 126 7.025 4.008 -4.516 1.00 0.00 C ATOM 0 H TRP A 126 10.945 4.115 -9.746 1.00 0.00 H new ATOM 0 HA TRP A 126 9.616 6.549 -10.224 1.00 0.00 H new ATOM 0 HB2 TRP A 126 11.066 5.302 -7.881 1.00 0.00 H new ATOM 0 HB3 TRP A 126 10.456 6.941 -7.768 1.00 0.00 H new ATOM 0 HD1 TRP A 126 7.902 5.563 -9.835 1.00 0.00 H new ATOM 0 HE1 TRP A 126 5.900 4.593 -8.517 1.00 0.00 H new ATOM 0 HE3 TRP A 126 10.128 5.202 -5.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 5.385 3.793 -5.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 8.810 4.323 -3.362 1.00 0.00 H new ATOM 0 HH2 TRP A 126 6.471 3.623 -3.673 1.00 0.00 H new ATOM 2044 N GLN A 127 12.875 6.797 -9.701 1.00 0.00 N ATOM 2045 CA GLN A 127 14.024 7.676 -9.883 1.00 0.00 C ATOM 2046 C GLN A 127 14.153 8.109 -11.340 1.00 0.00 C ATOM 2047 O GLN A 127 14.745 9.145 -11.641 1.00 0.00 O ATOM 2048 CB GLN A 127 15.306 6.975 -9.432 1.00 0.00 C ATOM 2049 CG GLN A 127 16.349 7.923 -8.861 1.00 0.00 C ATOM 2050 CD GLN A 127 17.755 7.362 -8.945 1.00 0.00 C ATOM 2051 OE1 GLN A 127 18.269 7.103 -10.034 1.00 0.00 O ATOM 2052 NE2 GLN A 127 18.386 7.171 -7.793 1.00 0.00 N ATOM 0 H GLN A 127 13.103 5.878 -9.321 1.00 0.00 H new ATOM 0 HA GLN A 127 13.870 8.565 -9.271 1.00 0.00 H new ATOM 0 HB2 GLN A 127 15.056 6.227 -8.679 1.00 0.00 H new ATOM 0 HB3 GLN A 127 15.737 6.442 -10.280 1.00 0.00 H new ATOM 0 HG2 GLN A 127 16.307 8.870 -9.399 1.00 0.00 H new ATOM 0 HG3 GLN A 127 16.109 8.137 -7.820 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.922 7.399 -6.914 1.00 0.00 H new ATOM 0 HE22 GLN A 127 19.335 6.796 -7.787 1.00 0.00 H new ATOM 2061 N LYS A 128 13.595 7.307 -12.241 1.00 0.00 N ATOM 2062 CA LYS A 128 13.646 7.606 -13.667 1.00 0.00 C ATOM 2063 C LYS A 128 12.516 8.550 -14.066 1.00 0.00 C ATOM 2064 O LYS A 128 12.748 9.577 -14.704 1.00 0.00 O ATOM 2065 CB LYS A 128 13.558 6.315 -14.484 1.00 0.00 C ATOM 2066 CG LYS A 128 13.112 6.532 -15.919 1.00 0.00 C ATOM 2067 CD LYS A 128 13.195 5.249 -16.729 1.00 0.00 C ATOM 2068 CE LYS A 128 12.516 5.398 -18.082 1.00 0.00 C ATOM 2069 NZ LYS A 128 13.269 6.314 -18.983 1.00 0.00 N ATOM 0 H LYS A 128 13.102 6.445 -12.008 1.00 0.00 H new ATOM 0 HA LYS A 128 14.597 8.097 -13.875 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.534 5.829 -14.485 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.862 5.633 -13.996 1.00 0.00 H new ATOM 0 HG2 LYS A 128 12.088 6.905 -15.930 1.00 0.00 H new ATOM 0 HG3 LYS A 128 13.735 7.297 -16.383 1.00 0.00 H new ATOM 0 HD2 LYS A 128 14.240 4.976 -16.874 1.00 0.00 H new ATOM 0 HD3 LYS A 128 12.727 4.436 -16.174 1.00 0.00 H new ATOM 0 HE2 LYS A 128 12.426 4.419 -18.553 1.00 0.00 H new ATOM 0 HE3 LYS A 128 11.504 5.778 -17.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 12.774 6.389 -19.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 13.334 7.255 -18.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 14.226 5.938 -19.139 1.00 0.00 H new ATOM 2083 N ASN A 129 11.293 8.196 -13.686 1.00 0.00 N ATOM 2084 CA ASN A 129 10.127 9.012 -14.003 1.00 0.00 C ATOM 2085 C ASN A 129 10.111 10.288 -13.166 1.00 0.00 C ATOM 2086 O ASN A 129 9.182 11.088 -13.254 1.00 0.00 O ATOM 2087 CB ASN A 129 8.841 8.217 -13.765 1.00 0.00 C ATOM 2088 CG ASN A 129 8.557 7.230 -14.881 1.00 0.00 C ATOM 2089 OD1 ASN A 129 7.740 7.493 -15.764 1.00 0.00 O ATOM 2090 ND2 ASN A 129 9.231 6.087 -14.845 1.00 0.00 N ATOM 0 H ASN A 129 11.084 7.349 -13.158 1.00 0.00 H new ATOM 0 HA ASN A 129 10.185 9.290 -15.055 1.00 0.00 H new ATOM 0 HB2 ASN A 129 8.919 7.680 -12.820 1.00 0.00 H new ATOM 0 HB3 ASN A 129 8.002 8.907 -13.672 1.00 0.00 H new ATOM 0 HD21 ASN A 129 9.081 5.384 -15.569 1.00 0.00 H new ATOM 0 HD22 ASN A 129 9.898 5.912 -14.094 1.00 0.00 H new ATOM 2097 N ASN A 130 11.149 10.469 -12.355 1.00 0.00 N ATOM 2098 CA ASN A 130 11.255 11.647 -11.502 1.00 0.00 C ATOM 2099 C ASN A 130 10.127 11.678 -10.474 1.00 0.00 C ATOM 2100 O ASN A 130 9.660 12.747 -10.082 1.00 0.00 O ATOM 2101 CB ASN A 130 11.223 12.921 -12.349 1.00 0.00 C ATOM 2102 CG ASN A 130 12.604 13.338 -12.818 1.00 0.00 C ATOM 2103 OD1 ASN A 130 13.047 14.457 -12.561 1.00 0.00 O ATOM 2104 ND2 ASN A 130 13.291 12.436 -13.510 1.00 0.00 N ATOM 0 H ASN A 130 11.928 9.816 -12.271 1.00 0.00 H new ATOM 0 HA ASN A 130 12.206 11.596 -10.971 1.00 0.00 H new ATOM 0 HB2 ASN A 130 10.581 12.762 -13.215 1.00 0.00 H new ATOM 0 HB3 ASN A 130 10.780 13.730 -11.768 1.00 0.00 H new ATOM 0 HD21 ASN A 130 14.226 12.659 -13.852 1.00 0.00 H new ATOM 0 HD22 ASN A 130 12.884 11.520 -13.700 1.00 0.00 H new ATOM 2111 N VAL A 131 9.695 10.498 -10.043 1.00 0.00 N ATOM 2112 CA VAL A 131 8.623 10.389 -9.060 1.00 0.00 C ATOM 2113 C VAL A 131 9.110 10.786 -7.670 1.00 0.00 C ATOM 2114 O VAL A 131 8.439 11.531 -6.955 1.00 0.00 O ATOM 2115 CB VAL A 131 8.056 8.958 -9.004 1.00 0.00 C ATOM 2116 CG1 VAL A 131 6.811 8.911 -8.130 1.00 0.00 C ATOM 2117 CG2 VAL A 131 7.753 8.451 -10.406 1.00 0.00 C ATOM 0 H VAL A 131 10.070 9.604 -10.359 1.00 0.00 H new ATOM 0 HA VAL A 131 7.834 11.072 -9.375 1.00 0.00 H new ATOM 0 HB VAL A 131 8.807 8.304 -8.560 1.00 0.00 H new ATOM 0 HG11 VAL A 131 6.424 7.892 -8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 131 7.064 9.231 -7.119 1.00 0.00 H new ATOM 0 HG13 VAL A 131 6.052 9.576 -8.542 1.00 0.00 H new ATOM 0 HG21 VAL A 131 7.353 7.439 -10.348 1.00 0.00 H new ATOM 0 HG22 VAL A 131 7.020 9.104 -10.879 1.00 0.00 H new ATOM 0 HG23 VAL A 131 8.669 8.446 -10.997 1.00 0.00 H new ATOM 2127 N PHE A 132 10.281 10.283 -7.294 1.00 0.00 N ATOM 2128 CA PHE A 132 10.858 10.585 -5.989 1.00 0.00 C ATOM 2129 C PHE A 132 12.321 10.995 -6.123 1.00 0.00 C ATOM 2130 O PHE A 132 13.026 10.540 -7.025 1.00 0.00 O ATOM 2131 CB PHE A 132 10.739 9.372 -5.063 1.00 0.00 C ATOM 2132 CG PHE A 132 9.320 9.003 -4.738 1.00 0.00 C ATOM 2133 CD1 PHE A 132 8.599 8.166 -5.573 1.00 0.00 C ATOM 2134 CD2 PHE A 132 8.708 9.493 -3.596 1.00 0.00 C ATOM 2135 CE1 PHE A 132 7.293 7.825 -5.276 1.00 0.00 C ATOM 2136 CE2 PHE A 132 7.402 9.156 -3.293 1.00 0.00 C ATOM 2137 CZ PHE A 132 6.694 8.320 -4.134 1.00 0.00 C ATOM 0 H PHE A 132 10.849 9.665 -7.874 1.00 0.00 H new ATOM 0 HA PHE A 132 10.304 11.419 -5.558 1.00 0.00 H new ATOM 0 HB2 PHE A 132 11.230 8.518 -5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 132 11.274 9.579 -4.136 1.00 0.00 H new ATOM 0 HD1 PHE A 132 9.063 7.775 -6.467 1.00 0.00 H new ATOM 0 HD2 PHE A 132 9.258 10.146 -2.934 1.00 0.00 H new ATOM 0 HE1 PHE A 132 6.741 7.172 -5.936 1.00 0.00 H new ATOM 0 HE2 PHE A 132 6.936 9.546 -2.400 1.00 0.00 H new ATOM 0 HZ PHE A 132 5.674 8.054 -3.899 1.00 0.00 H new ATOM 2147 N LYS A 133 12.773 11.858 -5.220 1.00 0.00 N ATOM 2148 CA LYS A 133 14.152 12.331 -5.235 1.00 0.00 C ATOM 2149 C LYS A 133 15.117 11.207 -4.870 1.00 0.00 C ATOM 2150 O LYS A 133 14.770 10.301 -4.113 1.00 0.00 O ATOM 2151 CB LYS A 133 14.323 13.500 -4.262 1.00 0.00 C ATOM 2152 CG LYS A 133 14.540 13.067 -2.823 1.00 0.00 C ATOM 2153 CD LYS A 133 14.680 14.262 -1.895 1.00 0.00 C ATOM 2154 CE LYS A 133 13.543 15.253 -2.088 1.00 0.00 C ATOM 2155 NZ LYS A 133 13.353 16.120 -0.892 1.00 0.00 N ATOM 0 H LYS A 133 12.203 12.245 -4.467 1.00 0.00 H new ATOM 0 HA LYS A 133 14.382 12.670 -6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 133 15.170 14.107 -4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 133 13.439 14.136 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 133 13.703 12.449 -2.498 1.00 0.00 H new ATOM 0 HG3 LYS A 133 15.436 12.449 -2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 133 14.695 13.921 -0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 133 15.632 14.759 -2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 133 13.748 15.876 -2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 133 12.620 14.711 -2.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 12.569 16.781 -1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 13.132 15.528 -0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.225 16.657 -0.710 1.00 0.00 H new ATOM 2169 N SER A 134 16.328 11.274 -5.413 1.00 0.00 N ATOM 2170 CA SER A 134 17.342 10.260 -5.145 1.00 0.00 C ATOM 2171 C SER A 134 17.643 10.173 -3.652 1.00 0.00 C ATOM 2172 O SER A 134 18.016 9.116 -3.145 1.00 0.00 O ATOM 2173 CB SER A 134 18.624 10.575 -5.918 1.00 0.00 C ATOM 2174 OG SER A 134 19.222 11.771 -5.448 1.00 0.00 O ATOM 0 H SER A 134 16.631 12.019 -6.041 1.00 0.00 H new ATOM 0 HA SER A 134 16.954 9.297 -5.476 1.00 0.00 H new ATOM 0 HB2 SER A 134 19.327 9.748 -5.815 1.00 0.00 H new ATOM 0 HB3 SER A 134 18.398 10.671 -6.980 1.00 0.00 H new ATOM 0 HG SER A 134 20.040 11.949 -5.957 1.00 0.00 H new ATOM 2180 N GLU A 135 17.478 11.293 -2.955 1.00 0.00 N ATOM 2181 CA GLU A 135 17.733 11.344 -1.521 1.00 0.00 C ATOM 2182 C GLU A 135 16.690 10.535 -0.754 1.00 0.00 C ATOM 2183 O GLU A 135 16.879 10.212 0.419 1.00 0.00 O ATOM 2184 CB GLU A 135 17.731 12.793 -1.030 1.00 0.00 C ATOM 2185 CG GLU A 135 17.312 12.944 0.422 1.00 0.00 C ATOM 2186 CD GLU A 135 17.725 14.278 1.013 1.00 0.00 C ATOM 2187 OE1 GLU A 135 17.445 15.319 0.382 1.00 0.00 O ATOM 2188 OE2 GLU A 135 18.327 14.281 2.107 1.00 0.00 O ATOM 0 H GLU A 135 17.169 12.177 -3.360 1.00 0.00 H new ATOM 0 HA GLU A 135 18.715 10.907 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 135 18.729 13.212 -1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 135 17.058 13.379 -1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 135 16.230 12.837 0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 135 17.753 12.139 1.009 1.00 0.00 H new ATOM 2195 N ILE A 136 15.590 10.211 -1.425 1.00 0.00 N ATOM 2196 CA ILE A 136 14.519 9.439 -0.808 1.00 0.00 C ATOM 2197 C ILE A 136 14.566 7.981 -1.251 1.00 0.00 C ATOM 2198 O ILE A 136 14.317 7.073 -0.457 1.00 0.00 O ATOM 2199 CB ILE A 136 13.135 10.024 -1.151 1.00 0.00 C ATOM 2200 CG1 ILE A 136 12.904 11.328 -0.384 1.00 0.00 C ATOM 2201 CG2 ILE A 136 12.041 9.016 -0.833 1.00 0.00 C ATOM 2202 CD1 ILE A 136 11.853 12.218 -1.009 1.00 0.00 C ATOM 0 H ILE A 136 15.417 10.471 -2.396 1.00 0.00 H new ATOM 0 HA ILE A 136 14.671 9.493 0.270 1.00 0.00 H new ATOM 0 HB ILE A 136 13.103 10.242 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 136 12.607 11.091 0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 136 13.844 11.876 -0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 136 11.069 9.443 -1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 136 12.199 8.111 -1.419 1.00 0.00 H new ATOM 0 HG23 ILE A 136 12.070 8.771 0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 136 11.742 13.124 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 136 12.157 12.485 -2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 136 10.901 11.688 -1.044 1.00 0.00 H new ATOM 2214 N ILE A 137 14.887 7.764 -2.522 1.00 0.00 N ATOM 2215 CA ILE A 137 14.970 6.416 -3.069 1.00 0.00 C ATOM 2216 C ILE A 137 16.304 5.763 -2.723 1.00 0.00 C ATOM 2217 O ILE A 137 16.365 4.566 -2.442 1.00 0.00 O ATOM 2218 CB ILE A 137 14.794 6.418 -4.599 1.00 0.00 C ATOM 2219 CG1 ILE A 137 13.485 7.111 -4.983 1.00 0.00 C ATOM 2220 CG2 ILE A 137 14.823 4.995 -5.137 1.00 0.00 C ATOM 2221 CD1 ILE A 137 13.122 6.952 -6.443 1.00 0.00 C ATOM 0 H ILE A 137 15.094 8.505 -3.192 1.00 0.00 H new ATOM 0 HA ILE A 137 14.160 5.842 -2.619 1.00 0.00 H new ATOM 0 HB ILE A 137 15.621 6.972 -5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 137 12.678 6.709 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 137 13.564 8.173 -4.750 1.00 0.00 H new ATOM 0 HG21 ILE A 137 14.697 5.013 -6.220 1.00 0.00 H new ATOM 0 HG22 ILE A 137 15.778 4.532 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 137 14.014 4.419 -4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 137 12.183 7.469 -6.643 1.00 0.00 H new ATOM 0 HD12 ILE A 137 13.910 7.379 -7.063 1.00 0.00 H new ATOM 0 HD13 ILE A 137 13.010 5.893 -6.677 1.00 0.00 H new ATOM 2233 N GLN A 138 17.369 6.558 -2.744 1.00 0.00 N ATOM 2234 CA GLN A 138 18.702 6.057 -2.431 1.00 0.00 C ATOM 2235 C GLN A 138 18.648 5.039 -1.297 1.00 0.00 C ATOM 2236 O GLN A 138 19.141 3.917 -1.414 1.00 0.00 O ATOM 2237 CB GLN A 138 19.628 7.214 -2.051 1.00 0.00 C ATOM 2238 CG GLN A 138 20.788 6.797 -1.162 1.00 0.00 C ATOM 2239 CD GLN A 138 21.818 5.963 -1.898 1.00 0.00 C ATOM 2240 OE1 GLN A 138 22.759 6.497 -2.487 1.00 0.00 O ATOM 2241 NE2 GLN A 138 21.646 4.647 -1.869 1.00 0.00 N ATOM 0 H GLN A 138 17.335 7.551 -2.974 1.00 0.00 H new ATOM 0 HA GLN A 138 19.096 5.563 -3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 138 20.023 7.667 -2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 138 19.046 7.981 -1.540 1.00 0.00 H new ATOM 0 HG2 GLN A 138 21.269 7.688 -0.758 1.00 0.00 H new ATOM 0 HG3 GLN A 138 20.405 6.229 -0.314 1.00 0.00 H new ATOM 0 HE21 GLN A 138 20.852 4.247 -1.369 1.00 0.00 H new ATOM 0 HE22 GLN A 138 22.308 4.036 -2.347 1.00 0.00 H new ATOM 2250 N PRO A 139 18.037 5.438 -0.171 1.00 0.00 N ATOM 2251 CA PRO A 139 17.905 4.575 1.006 1.00 0.00 C ATOM 2252 C PRO A 139 16.936 3.420 0.773 1.00 0.00 C ATOM 2253 O PRO A 139 17.175 2.296 1.216 1.00 0.00 O ATOM 2254 CB PRO A 139 17.361 5.520 2.080 1.00 0.00 C ATOM 2255 CG PRO A 139 16.660 6.593 1.320 1.00 0.00 C ATOM 2256 CD PRO A 139 17.428 6.762 0.038 1.00 0.00 C ATOM 0 HA PRO A 139 18.851 4.103 1.273 1.00 0.00 H new ATOM 0 HB2 PRO A 139 16.679 5.002 2.754 1.00 0.00 H new ATOM 0 HB3 PRO A 139 18.165 5.929 2.692 1.00 0.00 H new ATOM 0 HG2 PRO A 139 15.624 6.317 1.121 1.00 0.00 H new ATOM 0 HG3 PRO A 139 16.639 7.523 1.888 1.00 0.00 H new ATOM 0 HD2 PRO A 139 16.774 7.039 -0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 139 18.183 7.543 0.122 1.00 0.00 H new ATOM 2264 N LEU A 140 15.843 3.704 0.074 1.00 0.00 N ATOM 2265 CA LEU A 140 14.837 2.688 -0.219 1.00 0.00 C ATOM 2266 C LEU A 140 15.444 1.534 -1.011 1.00 0.00 C ATOM 2267 O LEU A 140 15.026 0.384 -0.871 1.00 0.00 O ATOM 2268 CB LEU A 140 13.675 3.303 -1.002 1.00 0.00 C ATOM 2269 CG LEU A 140 12.833 4.335 -0.251 1.00 0.00 C ATOM 2270 CD1 LEU A 140 11.776 4.931 -1.169 1.00 0.00 C ATOM 2271 CD2 LEU A 140 12.184 3.705 0.973 1.00 0.00 C ATOM 0 H LEU A 140 15.630 4.629 -0.300 1.00 0.00 H new ATOM 0 HA LEU A 140 14.463 2.298 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 140 14.076 3.774 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 140 13.018 2.498 -1.331 1.00 0.00 H new ATOM 0 HG LEU A 140 13.490 5.138 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 140 11.186 5.663 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 140 12.261 5.418 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 140 11.122 4.139 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 140 11.589 4.454 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 140 11.540 2.883 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 140 12.958 3.326 1.641 1.00 0.00 H new ATOM 2283 N LEU A 141 16.432 1.848 -1.841 1.00 0.00 N ATOM 2284 CA LEU A 141 17.099 0.837 -2.654 1.00 0.00 C ATOM 2285 C LEU A 141 17.914 -0.112 -1.782 1.00 0.00 C ATOM 2286 O LEU A 141 18.041 -1.298 -2.088 1.00 0.00 O ATOM 2287 CB LEU A 141 18.007 1.504 -3.689 1.00 0.00 C ATOM 2288 CG LEU A 141 17.312 2.059 -4.933 1.00 0.00 C ATOM 2289 CD1 LEU A 141 18.203 3.073 -5.634 1.00 0.00 C ATOM 2290 CD2 LEU A 141 16.937 0.930 -5.882 1.00 0.00 C ATOM 0 H LEU A 141 16.789 2.795 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 141 16.333 0.259 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 141 18.542 2.319 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 141 18.755 0.778 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 141 16.398 2.564 -4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 141 17.692 3.457 -6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 141 18.422 3.896 -4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 141 19.134 2.593 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 141 16.443 1.343 -6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 141 17.838 0.397 -6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 141 16.261 0.240 -5.377 1.00 0.00 H new ATOM 2302 N ASP A 142 18.463 0.416 -0.694 1.00 0.00 N ATOM 2303 CA ASP A 142 19.264 -0.384 0.225 1.00 0.00 C ATOM 2304 C ASP A 142 18.371 -1.235 1.123 1.00 0.00 C ATOM 2305 O ASP A 142 18.628 -2.422 1.325 1.00 0.00 O ATOM 2306 CB ASP A 142 20.155 0.519 1.079 1.00 0.00 C ATOM 2307 CG ASP A 142 21.451 -0.158 1.479 1.00 0.00 C ATOM 2308 OD1 ASP A 142 21.453 -0.886 2.494 1.00 0.00 O ATOM 2309 OD2 ASP A 142 22.464 0.040 0.776 1.00 0.00 O ATOM 0 H ASP A 142 18.368 1.396 -0.427 1.00 0.00 H new ATOM 0 HA ASP A 142 19.895 -1.048 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 142 20.380 1.431 0.525 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.612 0.817 1.976 1.00 0.00 H new ATOM 2314 N MET A 143 17.323 -0.620 1.660 1.00 0.00 N ATOM 2315 CA MET A 143 16.392 -1.322 2.537 1.00 0.00 C ATOM 2316 C MET A 143 16.098 -2.722 2.009 1.00 0.00 C ATOM 2317 O MET A 143 16.025 -3.682 2.775 1.00 0.00 O ATOM 2318 CB MET A 143 15.090 -0.530 2.672 1.00 0.00 C ATOM 2319 CG MET A 143 15.292 0.896 3.156 1.00 0.00 C ATOM 2320 SD MET A 143 13.897 1.507 4.120 1.00 0.00 S ATOM 2321 CE MET A 143 12.521 0.863 3.171 1.00 0.00 C ATOM 0 H MET A 143 17.097 0.362 1.504 1.00 0.00 H new ATOM 0 HA MET A 143 16.856 -1.414 3.519 1.00 0.00 H new ATOM 0 HB2 MET A 143 14.586 -0.509 1.706 1.00 0.00 H new ATOM 0 HB3 MET A 143 14.429 -1.050 3.365 1.00 0.00 H new ATOM 0 HG2 MET A 143 16.197 0.945 3.762 1.00 0.00 H new ATOM 0 HG3 MET A 143 15.448 1.548 2.297 1.00 0.00 H new ATOM 0 HE1 MET A 143 11.603 1.366 3.474 1.00 0.00 H new ATOM 0 HE2 MET A 143 12.697 1.038 2.110 1.00 0.00 H new ATOM 0 HE3 MET A 143 12.424 -0.208 3.351 1.00 0.00 H new ATOM 2331 N ALA A 144 15.930 -2.830 0.695 1.00 0.00 N ATOM 2332 CA ALA A 144 15.645 -4.114 0.065 1.00 0.00 C ATOM 2333 C ALA A 144 16.765 -5.114 0.327 1.00 0.00 C ATOM 2334 O ALA A 144 16.514 -6.300 0.541 1.00 0.00 O ATOM 2335 CB ALA A 144 15.436 -3.932 -1.432 1.00 0.00 C ATOM 0 H ALA A 144 15.986 -2.045 0.046 1.00 0.00 H new ATOM 0 HA ALA A 144 14.729 -4.511 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 144 15.224 -4.898 -1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.597 -3.258 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 144 16.337 -3.510 -1.877 1.00 0.00 H new