USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=37 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 -57:sc= -0.517 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 154:sc= 1.14 (180deg=0.677) USER MOD Set 2.1: A 39 THR OG1 : rot 80:sc= 0.477 USER MOD Set 2.2: A 77 SER OG : rot -109:sc= 0.815 USER MOD Set 3.1: A 37 GLN :FLIP amide:sc=-0.000206 F(o=-1.1,f=-0.26) USER MOD Set 3.2: A 40 LYS NZ :NH3+ -140:sc= -0.264 (180deg=-1.56) USER MOD Set 4.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 22 SER OG : rot 60:sc= 1.09 USER MOD Set 5.1: A 17 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.42) USER MOD Set 5.2: A 55 SER OG : rot -151:sc= 0 USER MOD Set 6.1: A 10 MET CE :methyl -123:sc= -2.15 (180deg=-0.414) USER MOD Set 6.2: A 51 HIS :FLIP no HD1:sc= -1.19 F(o=-4.3,f=-3.3) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 0 (180deg=-9.62e-05) USER MOD Single : A 15 THR OG1 : rot 75:sc= 0.517 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.1!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -140:sc= -0.318 (180deg=-2.16!) USER MOD Single : A 34 LYS NZ :NH3+ -111:sc= -5.42 (180deg=-8.08!) USER MOD Single : A 35 MET CE :methyl 172:sc= -2.92! (180deg=-3.16!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= -1.92 (180deg=-1.99) USER MOD Single : A 49 TYR OH : rot -30:sc= -0.361 USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0219) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.071) 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 2:sc= 0.896 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.86 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.716 F(o=-1.9,f=-0.72) USER MOD Single : A 82 SER OG : rot 101:sc= 1.19 USER MOD Single : A 84 HIS : no HD1:sc= -0.323 X(o=-0.32,f=0) USER MOD Single : A 85 GLN :FLIP amide:sc= -4.26! C(o=-6.1!,f=-4.3!) USER MOD Single : A 98 SER OG : rot -59:sc= 0.609 USER MOD Single : A 99 ASN : amide:sc= -1.88! X(o=-1.9!,f=-1.8) USER MOD Single : A 100 ASN :FLIP amide:sc= 0.0935 F(o=-1.3,f=0.093) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 160:sc= -1.89 USER MOD Single : A 106 GLN : amide:sc= 0.371 K(o=0.37,f=-1.4!) USER MOD Single : A 107 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.9) USER MOD Single : A 109 TYR OH : rot -101:sc= 0.9 USER MOD Single : A 111 CYS SG : rot -88:sc= -0.759 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.0758 X(o=0.076,f=0) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 ASN : amide:sc= 0.455 X(o=0.45,f=0) USER MOD Single : A 130 ASN : amide:sc=-0.00786 X(o=-0.0079,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= 0.237 K(o=0.24,f=-0.34) USER MOD Single : A 143 MET CE :methyl -164:sc= -4.28! (180deg=-5.88) USER MOD ----------------------------------------------------------------- ATOM 92 N MET A 10 -16.901 11.784 2.265 1.00 0.00 N ATOM 93 CA MET A 10 -15.703 11.027 1.918 1.00 0.00 C ATOM 94 C MET A 10 -16.066 9.752 1.164 1.00 0.00 C ATOM 95 O MET A 10 -15.626 8.661 1.525 1.00 0.00 O ATOM 96 CB MET A 10 -14.910 10.680 3.179 1.00 0.00 C ATOM 97 CG MET A 10 -14.465 11.899 3.971 1.00 0.00 C ATOM 98 SD MET A 10 -13.667 11.461 5.528 1.00 0.00 S ATOM 99 CE MET A 10 -12.222 10.586 4.934 1.00 0.00 C ATOM 0 HA MET A 10 -15.085 11.648 1.269 1.00 0.00 H new ATOM 0 HB2 MET A 10 -15.521 10.044 3.819 1.00 0.00 H new ATOM 0 HB3 MET A 10 -14.032 10.099 2.898 1.00 0.00 H new ATOM 0 HG2 MET A 10 -13.775 12.488 3.367 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.330 12.531 4.175 1.00 0.00 H new ATOM 0 HE1 MET A 10 -12.204 9.582 5.359 1.00 0.00 H new ATOM 0 HE2 MET A 10 -12.259 10.519 3.847 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.322 11.123 5.235 1.00 0.00 H new ATOM 109 N GLU A 11 -16.871 9.897 0.116 1.00 0.00 N ATOM 110 CA GLU A 11 -17.293 8.755 -0.687 1.00 0.00 C ATOM 111 C GLU A 11 -16.125 8.199 -1.497 1.00 0.00 C ATOM 112 O GLU A 11 -15.933 6.986 -1.576 1.00 0.00 O ATOM 113 CB GLU A 11 -18.433 9.157 -1.625 1.00 0.00 C ATOM 114 CG GLU A 11 -19.102 7.977 -2.309 1.00 0.00 C ATOM 115 CD GLU A 11 -20.432 8.344 -2.937 1.00 0.00 C ATOM 116 OE1 GLU A 11 -20.516 9.423 -3.560 1.00 0.00 O ATOM 117 OE2 GLU A 11 -21.389 7.552 -2.806 1.00 0.00 O ATOM 0 H GLU A 11 -17.244 10.793 -0.197 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.646 7.977 -0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.182 9.710 -1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -18.045 9.835 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.438 7.583 -3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.256 7.180 -1.582 1.00 0.00 H new ATOM 124 N ALA A 12 -15.348 9.095 -2.097 1.00 0.00 N ATOM 125 CA ALA A 12 -14.199 8.695 -2.899 1.00 0.00 C ATOM 126 C ALA A 12 -13.287 7.752 -2.120 1.00 0.00 C ATOM 127 O ALA A 12 -12.850 6.726 -2.640 1.00 0.00 O ATOM 128 CB ALA A 12 -13.425 9.920 -3.360 1.00 0.00 C ATOM 0 H ALA A 12 -15.494 10.103 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.567 8.161 -3.775 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.569 9.606 -3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.075 10.556 -3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.075 10.478 -2.491 1.00 0.00 H new ATOM 134 N VAL A 13 -13.004 8.109 -0.872 1.00 0.00 N ATOM 135 CA VAL A 13 -12.144 7.295 -0.021 1.00 0.00 C ATOM 136 C VAL A 13 -12.718 5.894 0.161 1.00 0.00 C ATOM 137 O VAL A 13 -12.178 4.917 -0.360 1.00 0.00 O ATOM 138 CB VAL A 13 -11.949 7.942 1.363 1.00 0.00 C ATOM 139 CG1 VAL A 13 -11.205 6.997 2.294 1.00 0.00 C ATOM 140 CG2 VAL A 13 -11.212 9.266 1.233 1.00 0.00 C ATOM 0 H VAL A 13 -13.357 8.956 -0.427 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.178 7.226 -0.521 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.930 8.140 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.076 7.471 3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.777 6.077 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.227 6.765 1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.083 9.709 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.235 9.096 0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.789 9.944 0.604 1.00 0.00 H new ATOM 150 N LYS A 14 -13.816 5.803 0.903 1.00 0.00 N ATOM 151 CA LYS A 14 -14.467 4.522 1.153 1.00 0.00 C ATOM 152 C LYS A 14 -14.334 3.599 -0.054 1.00 0.00 C ATOM 153 O LYS A 14 -14.090 2.401 0.090 1.00 0.00 O ATOM 154 CB LYS A 14 -15.945 4.734 1.487 1.00 0.00 C ATOM 155 CG LYS A 14 -16.174 5.613 2.704 1.00 0.00 C ATOM 156 CD LYS A 14 -17.534 6.289 2.656 1.00 0.00 C ATOM 157 CE LYS A 14 -17.589 7.496 3.580 1.00 0.00 C ATOM 158 NZ LYS A 14 -17.475 7.104 5.012 1.00 0.00 N ATOM 0 H LYS A 14 -14.274 6.601 1.342 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.973 4.052 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.442 5.182 0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.413 3.764 1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.098 5.010 3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.392 6.370 2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.750 6.601 1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -18.307 5.575 2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.783 8.184 3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.526 8.031 3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.534 7.953 5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.249 6.454 5.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.562 6.631 5.171 1.00 0.00 H new ATOM 172 N THR A 15 -14.495 4.165 -1.246 1.00 0.00 N ATOM 173 CA THR A 15 -14.393 3.394 -2.479 1.00 0.00 C ATOM 174 C THR A 15 -13.006 2.781 -2.630 1.00 0.00 C ATOM 175 O THR A 15 -12.869 1.583 -2.883 1.00 0.00 O ATOM 176 CB THR A 15 -14.695 4.264 -3.713 1.00 0.00 C ATOM 177 OG1 THR A 15 -16.014 4.812 -3.615 1.00 0.00 O ATOM 178 CG2 THR A 15 -14.572 3.450 -4.992 1.00 0.00 C ATOM 0 H THR A 15 -14.697 5.155 -1.384 1.00 0.00 H new ATOM 0 HA THR A 15 -15.135 2.598 -2.416 1.00 0.00 H new ATOM 0 HB THR A 15 -13.967 5.075 -3.746 1.00 0.00 H new ATOM 0 HG1 THR A 15 -16.017 5.541 -2.961 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.790 4.086 -5.850 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.558 3.059 -5.078 1.00 0.00 H new ATOM 0 HG23 THR A 15 -15.280 2.621 -4.965 1.00 0.00 H new ATOM 186 N PHE A 16 -11.978 3.608 -2.474 1.00 0.00 N ATOM 187 CA PHE A 16 -10.600 3.147 -2.593 1.00 0.00 C ATOM 188 C PHE A 16 -10.252 2.175 -1.470 1.00 0.00 C ATOM 189 O PHE A 16 -9.509 1.215 -1.673 1.00 0.00 O ATOM 190 CB PHE A 16 -9.637 4.336 -2.570 1.00 0.00 C ATOM 191 CG PHE A 16 -8.192 3.937 -2.483 1.00 0.00 C ATOM 192 CD1 PHE A 16 -7.623 3.608 -1.264 1.00 0.00 C ATOM 193 CD2 PHE A 16 -7.403 3.890 -3.621 1.00 0.00 C ATOM 194 CE1 PHE A 16 -6.293 3.239 -1.181 1.00 0.00 C ATOM 195 CE2 PHE A 16 -6.073 3.522 -3.544 1.00 0.00 C ATOM 196 CZ PHE A 16 -5.517 3.197 -2.322 1.00 0.00 C ATOM 0 H PHE A 16 -12.073 4.602 -2.265 1.00 0.00 H new ATOM 0 HA PHE A 16 -10.500 2.626 -3.545 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.787 4.932 -3.470 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.881 4.974 -1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.225 3.640 -0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.832 4.144 -4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.862 2.984 -0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.469 3.489 -4.439 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.478 2.911 -2.259 1.00 0.00 H new ATOM 206 N ASN A 17 -10.795 2.432 -0.284 1.00 0.00 N ATOM 207 CA ASN A 17 -10.541 1.580 0.873 1.00 0.00 C ATOM 208 C ASN A 17 -10.919 0.132 0.576 1.00 0.00 C ATOM 209 O ASN A 17 -10.437 -0.792 1.229 1.00 0.00 O ATOM 210 CB ASN A 17 -11.326 2.086 2.085 1.00 0.00 C ATOM 211 CG ASN A 17 -10.528 3.067 2.922 1.00 0.00 C ATOM 212 OD1 ASN A 17 -10.368 2.884 4.129 1.00 0.00 O ATOM 213 ND2 ASN A 17 -10.023 4.116 2.283 1.00 0.00 N ATOM 0 H ASN A 17 -11.413 3.222 -0.099 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.475 1.619 1.096 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.244 2.565 1.745 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.619 1.238 2.704 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.477 4.810 2.794 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.181 4.228 1.281 1.00 0.00 H new ATOM 220 N SER A 18 -11.785 -0.056 -0.415 1.00 0.00 N ATOM 221 CA SER A 18 -12.231 -1.391 -0.796 1.00 0.00 C ATOM 222 C SER A 18 -11.317 -1.984 -1.865 1.00 0.00 C ATOM 223 O SER A 18 -10.922 -3.146 -1.784 1.00 0.00 O ATOM 224 CB SER A 18 -13.671 -1.344 -1.310 1.00 0.00 C ATOM 225 OG SER A 18 -14.166 -2.648 -1.561 1.00 0.00 O ATOM 0 H SER A 18 -12.191 0.699 -0.968 1.00 0.00 H new ATOM 0 HA SER A 18 -12.189 -2.027 0.088 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.306 -0.845 -0.577 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.715 -0.753 -2.225 1.00 0.00 H new ATOM 0 HG SER A 18 -15.088 -2.591 -1.887 1.00 0.00 H new ATOM 231 N GLU A 19 -10.986 -1.175 -2.867 1.00 0.00 N ATOM 232 CA GLU A 19 -10.120 -1.619 -3.953 1.00 0.00 C ATOM 233 C GLU A 19 -8.714 -1.916 -3.440 1.00 0.00 C ATOM 234 O GLU A 19 -8.068 -2.868 -3.880 1.00 0.00 O ATOM 235 CB GLU A 19 -10.061 -0.559 -5.054 1.00 0.00 C ATOM 236 CG GLU A 19 -11.425 -0.032 -5.466 1.00 0.00 C ATOM 237 CD GLU A 19 -12.271 -1.082 -6.160 1.00 0.00 C ATOM 238 OE1 GLU A 19 -12.970 -1.840 -5.456 1.00 0.00 O ATOM 239 OE2 GLU A 19 -12.233 -1.145 -7.406 1.00 0.00 O ATOM 0 H GLU A 19 -11.304 -0.209 -2.949 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.539 -2.537 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.447 0.274 -4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.565 -0.982 -5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.953 0.329 -4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.295 0.822 -6.131 1.00 0.00 H new ATOM 246 N LEU A 20 -8.245 -1.094 -2.508 1.00 0.00 N ATOM 247 CA LEU A 20 -6.915 -1.266 -1.935 1.00 0.00 C ATOM 248 C LEU A 20 -6.772 -2.643 -1.295 1.00 0.00 C ATOM 249 O LEU A 20 -5.885 -3.418 -1.657 1.00 0.00 O ATOM 250 CB LEU A 20 -6.641 -0.178 -0.895 1.00 0.00 C ATOM 251 CG LEU A 20 -5.198 -0.070 -0.401 1.00 0.00 C ATOM 252 CD1 LEU A 20 -4.918 -1.120 0.663 1.00 0.00 C ATOM 253 CD2 LEU A 20 -4.224 -0.211 -1.562 1.00 0.00 C ATOM 0 H LEU A 20 -8.766 -0.302 -2.133 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.186 -1.182 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.932 0.783 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.286 -0.355 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.060 0.915 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.886 -1.028 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.592 -0.972 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.074 -2.114 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.202 -0.132 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.363 -1.182 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.408 0.579 -2.290 1.00 0.00 H new ATOM 265 N TYR A 21 -7.650 -2.943 -0.345 1.00 0.00 N ATOM 266 CA TYR A 21 -7.622 -4.227 0.345 1.00 0.00 C ATOM 267 C TYR A 21 -8.156 -5.340 -0.553 1.00 0.00 C ATOM 268 O TYR A 21 -7.713 -6.485 -0.470 1.00 0.00 O ATOM 269 CB TYR A 21 -8.444 -4.157 1.632 1.00 0.00 C ATOM 270 CG TYR A 21 -7.761 -3.397 2.747 1.00 0.00 C ATOM 271 CD1 TYR A 21 -7.613 -2.017 2.685 1.00 0.00 C ATOM 272 CD2 TYR A 21 -7.261 -4.060 3.861 1.00 0.00 C ATOM 273 CE1 TYR A 21 -6.988 -1.319 3.700 1.00 0.00 C ATOM 274 CE2 TYR A 21 -6.636 -3.370 4.882 1.00 0.00 C ATOM 275 CZ TYR A 21 -6.502 -2.000 4.797 1.00 0.00 C ATOM 276 OH TYR A 21 -5.879 -1.309 5.811 1.00 0.00 O ATOM 0 H TYR A 21 -8.391 -2.314 -0.035 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.586 -4.453 0.596 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.402 -3.685 1.416 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.658 -5.170 1.972 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.993 -1.481 1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.363 -5.133 3.930 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.880 -0.246 3.635 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.255 -3.901 5.742 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.596 -1.936 6.509 1.00 0.00 H new ATOM 286 N SER A 22 -9.110 -4.992 -1.410 1.00 0.00 N ATOM 287 CA SER A 22 -9.708 -5.961 -2.322 1.00 0.00 C ATOM 288 C SER A 22 -8.644 -6.886 -2.905 1.00 0.00 C ATOM 289 O SER A 22 -8.932 -8.023 -3.282 1.00 0.00 O ATOM 290 CB SER A 22 -10.448 -5.241 -3.451 1.00 0.00 C ATOM 291 OG SER A 22 -11.802 -5.007 -3.104 1.00 0.00 O ATOM 0 H SER A 22 -9.486 -4.047 -1.492 1.00 0.00 H new ATOM 0 HA SER A 22 -10.419 -6.564 -1.757 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.955 -4.293 -3.667 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.400 -5.839 -4.361 1.00 0.00 H new ATOM 0 HG SER A 22 -11.842 -4.457 -2.294 1.00 0.00 H new ATOM 297 N LEU A 23 -7.414 -6.391 -2.977 1.00 0.00 N ATOM 298 CA LEU A 23 -6.305 -7.172 -3.515 1.00 0.00 C ATOM 299 C LEU A 23 -6.345 -8.605 -2.993 1.00 0.00 C ATOM 300 O LEU A 23 -5.987 -9.544 -3.702 1.00 0.00 O ATOM 301 CB LEU A 23 -4.971 -6.520 -3.147 1.00 0.00 C ATOM 302 CG LEU A 23 -4.501 -5.390 -4.063 1.00 0.00 C ATOM 303 CD1 LEU A 23 -3.143 -4.870 -3.617 1.00 0.00 C ATOM 304 CD2 LEU A 23 -4.444 -5.863 -5.508 1.00 0.00 C ATOM 0 H LEU A 23 -7.159 -5.452 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.403 -7.197 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.048 -6.130 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.203 -7.293 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.220 -4.573 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.825 -4.066 -4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.215 -4.491 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.414 -5.679 -3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.107 -5.045 -6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.748 -6.698 -5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.436 -6.185 -5.825 1.00 0.00 H new ATOM 316 N ASN A 24 -6.785 -8.764 -1.749 1.00 0.00 N ATOM 317 CA ASN A 24 -6.873 -10.083 -1.132 1.00 0.00 C ATOM 318 C ASN A 24 -7.617 -11.059 -2.039 1.00 0.00 C ATOM 319 O ASN A 24 -7.227 -12.219 -2.172 1.00 0.00 O ATOM 320 CB ASN A 24 -7.579 -9.989 0.222 1.00 0.00 C ATOM 321 CG ASN A 24 -6.618 -9.685 1.355 1.00 0.00 C ATOM 322 OD1 ASN A 24 -6.094 -10.593 2.001 1.00 0.00 O ATOM 323 ND2 ASN A 24 -6.381 -8.402 1.601 1.00 0.00 N ATOM 0 H ASN A 24 -7.086 -7.996 -1.148 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.860 -10.455 -0.981 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.342 -9.212 0.178 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.093 -10.928 0.427 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.743 -8.136 2.351 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.837 -7.682 1.040 1.00 0.00 H new ATOM 330 N ASP A 25 -8.688 -10.580 -2.662 1.00 0.00 N ATOM 331 CA ASP A 25 -9.486 -11.408 -3.558 1.00 0.00 C ATOM 332 C ASP A 25 -8.610 -12.046 -4.633 1.00 0.00 C ATOM 333 O ASP A 25 -8.806 -13.204 -5.001 1.00 0.00 O ATOM 334 CB ASP A 25 -10.590 -10.575 -4.211 1.00 0.00 C ATOM 335 CG ASP A 25 -11.786 -11.414 -4.616 1.00 0.00 C ATOM 336 OD1 ASP A 25 -11.661 -12.200 -5.577 1.00 0.00 O ATOM 337 OD2 ASP A 25 -12.848 -11.284 -3.971 1.00 0.00 O ATOM 0 H ASP A 25 -9.024 -9.622 -2.563 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.943 -12.202 -2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.913 -9.798 -3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.189 -10.071 -5.090 1.00 0.00 H new ATOM 342 N TYR A 26 -7.645 -11.281 -5.132 1.00 0.00 N ATOM 343 CA TYR A 26 -6.742 -11.770 -6.167 1.00 0.00 C ATOM 344 C TYR A 26 -5.375 -12.111 -5.581 1.00 0.00 C ATOM 345 O TYR A 26 -4.853 -11.389 -4.731 1.00 0.00 O ATOM 346 CB TYR A 26 -6.588 -10.725 -7.274 1.00 0.00 C ATOM 347 CG TYR A 26 -7.846 -9.927 -7.533 1.00 0.00 C ATOM 348 CD1 TYR A 26 -8.247 -8.922 -6.661 1.00 0.00 C ATOM 349 CD2 TYR A 26 -8.633 -10.178 -8.650 1.00 0.00 C ATOM 350 CE1 TYR A 26 -9.396 -8.192 -6.893 1.00 0.00 C ATOM 351 CE2 TYR A 26 -9.783 -9.451 -8.891 1.00 0.00 C ATOM 352 CZ TYR A 26 -10.160 -8.460 -8.010 1.00 0.00 C ATOM 353 OH TYR A 26 -11.305 -7.733 -8.246 1.00 0.00 O ATOM 0 H TYR A 26 -7.468 -10.321 -4.837 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.173 -12.678 -6.590 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.783 -10.041 -7.007 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.289 -11.225 -8.195 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.650 -8.708 -5.787 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.341 -10.954 -9.342 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.695 -7.416 -6.204 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.383 -9.658 -9.765 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.726 -8.046 -9.074 1.00 0.00 H new ATOM 363 N LYS A 27 -4.801 -13.217 -6.041 1.00 0.00 N ATOM 364 CA LYS A 27 -3.494 -13.655 -5.566 1.00 0.00 C ATOM 365 C LYS A 27 -2.397 -13.266 -6.552 1.00 0.00 C ATOM 366 O LYS A 27 -2.528 -13.440 -7.764 1.00 0.00 O ATOM 367 CB LYS A 27 -3.488 -15.171 -5.353 1.00 0.00 C ATOM 368 CG LYS A 27 -4.661 -15.674 -4.529 1.00 0.00 C ATOM 369 CD LYS A 27 -4.623 -17.184 -4.369 1.00 0.00 C ATOM 370 CE LYS A 27 -5.396 -17.634 -3.138 1.00 0.00 C ATOM 371 NZ LYS A 27 -5.797 -19.065 -3.228 1.00 0.00 N ATOM 0 H LYS A 27 -5.221 -13.827 -6.743 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.296 -13.159 -4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.498 -15.666 -6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.559 -15.456 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.645 -15.203 -3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.595 -15.381 -5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.044 -17.656 -5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.588 -17.517 -4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.783 -17.484 -2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.285 -17.014 -3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.321 -19.333 -2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.403 -19.204 -4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.948 -19.659 -3.314 1.00 0.00 H new ATOM 385 N PRO A 28 -1.289 -12.727 -6.023 1.00 0.00 N ATOM 386 CA PRO A 28 -0.147 -12.304 -6.839 1.00 0.00 C ATOM 387 C PRO A 28 0.269 -13.368 -7.850 1.00 0.00 C ATOM 388 O PRO A 28 0.361 -14.555 -7.535 1.00 0.00 O ATOM 389 CB PRO A 28 0.963 -12.081 -5.809 1.00 0.00 C ATOM 390 CG PRO A 28 0.246 -11.765 -4.542 1.00 0.00 C ATOM 391 CD PRO A 28 -1.064 -12.490 -4.587 1.00 0.00 C ATOM 0 HA PRO A 28 -0.377 -11.421 -7.435 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.586 -12.969 -5.700 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.621 -11.264 -6.106 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.832 -12.080 -3.679 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.089 -10.691 -4.445 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.022 -13.426 -4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.865 -11.894 -4.150 1.00 0.00 H new ATOM 399 N PRO A 29 0.528 -12.935 -9.093 1.00 0.00 N ATOM 400 CA PRO A 29 0.422 -11.525 -9.478 1.00 0.00 C ATOM 401 C PRO A 29 -1.023 -11.039 -9.505 1.00 0.00 C ATOM 402 O PRO A 29 -1.958 -11.839 -9.452 1.00 0.00 O ATOM 403 CB PRO A 29 1.021 -11.496 -10.887 1.00 0.00 C ATOM 404 CG PRO A 29 0.830 -12.879 -11.408 1.00 0.00 C ATOM 405 CD PRO A 29 0.944 -13.790 -10.217 1.00 0.00 C ATOM 0 HA PRO A 29 0.930 -10.870 -8.770 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.517 -10.763 -11.516 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.076 -11.224 -10.863 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.143 -12.984 -11.888 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.583 -13.121 -12.158 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.301 -14.664 -10.317 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.962 -14.157 -10.088 1.00 0.00 H new ATOM 413 N ILE A 30 -1.199 -9.725 -9.588 1.00 0.00 N ATOM 414 CA ILE A 30 -2.531 -9.133 -9.623 1.00 0.00 C ATOM 415 C ILE A 30 -2.901 -8.697 -11.037 1.00 0.00 C ATOM 416 O ILE A 30 -2.085 -8.117 -11.752 1.00 0.00 O ATOM 417 CB ILE A 30 -2.633 -7.920 -8.680 1.00 0.00 C ATOM 418 CG1 ILE A 30 -2.267 -8.325 -7.251 1.00 0.00 C ATOM 419 CG2 ILE A 30 -4.035 -7.330 -8.726 1.00 0.00 C ATOM 420 CD1 ILE A 30 -3.257 -9.279 -6.621 1.00 0.00 C ATOM 0 H ILE A 30 -0.436 -9.050 -9.632 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.227 -9.902 -9.288 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.928 -7.159 -9.014 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.280 -8.788 -7.255 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.196 -7.429 -6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.092 -6.473 -8.054 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.262 -7.009 -9.743 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.758 -8.084 -8.414 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.934 -9.523 -5.609 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.241 -8.811 -6.585 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.311 -10.192 -7.214 1.00 0.00 H new ATOM 432 N SER A 31 -4.139 -8.978 -11.432 1.00 0.00 N ATOM 433 CA SER A 31 -4.618 -8.616 -12.761 1.00 0.00 C ATOM 434 C SER A 31 -4.297 -7.158 -13.076 1.00 0.00 C ATOM 435 O SER A 31 -4.509 -6.271 -12.249 1.00 0.00 O ATOM 436 CB SER A 31 -6.126 -8.852 -12.864 1.00 0.00 C ATOM 437 OG SER A 31 -6.412 -10.214 -13.131 1.00 0.00 O ATOM 0 H SER A 31 -4.828 -9.455 -10.851 1.00 0.00 H new ATOM 0 HA SER A 31 -4.108 -9.247 -13.489 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.609 -8.551 -11.934 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.542 -8.228 -13.655 1.00 0.00 H new ATOM 0 HG SER A 31 -7.382 -10.339 -13.190 1.00 0.00 H new ATOM 443 N LYS A 32 -3.783 -6.919 -14.277 1.00 0.00 N ATOM 444 CA LYS A 32 -3.432 -5.570 -14.705 1.00 0.00 C ATOM 445 C LYS A 32 -4.601 -4.612 -14.497 1.00 0.00 C ATOM 446 O LYS A 32 -4.421 -3.494 -14.015 1.00 0.00 O ATOM 447 CB LYS A 32 -3.016 -5.571 -16.177 1.00 0.00 C ATOM 448 CG LYS A 32 -2.629 -4.199 -16.702 1.00 0.00 C ATOM 449 CD LYS A 32 -1.865 -4.297 -18.011 1.00 0.00 C ATOM 450 CE LYS A 32 -2.804 -4.494 -19.192 1.00 0.00 C ATOM 451 NZ LYS A 32 -3.287 -5.899 -19.289 1.00 0.00 N ATOM 0 H LYS A 32 -3.600 -7.643 -14.972 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.593 -5.230 -14.097 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.174 -6.251 -16.307 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.837 -5.962 -16.778 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.527 -3.598 -16.848 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.018 -3.684 -15.961 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.278 -3.391 -18.159 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.162 -5.128 -17.962 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.657 -3.823 -19.093 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.290 -4.222 -20.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.309 -6.190 -20.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.645 -6.524 -18.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.244 -5.966 -18.887 1.00 0.00 H new ATOM 465 N ALA A 33 -5.798 -5.059 -14.862 1.00 0.00 N ATOM 466 CA ALA A 33 -6.996 -4.242 -14.712 1.00 0.00 C ATOM 467 C ALA A 33 -7.190 -3.813 -13.262 1.00 0.00 C ATOM 468 O ALA A 33 -7.595 -2.683 -12.987 1.00 0.00 O ATOM 469 CB ALA A 33 -8.218 -5.003 -15.208 1.00 0.00 C ATOM 0 H ALA A 33 -5.964 -5.982 -15.263 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.871 -3.343 -15.315 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -9.106 -4.382 -15.090 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.088 -5.254 -16.261 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.336 -5.919 -14.628 1.00 0.00 H new ATOM 475 N LYS A 34 -6.900 -4.722 -12.337 1.00 0.00 N ATOM 476 CA LYS A 34 -7.041 -4.438 -10.914 1.00 0.00 C ATOM 477 C LYS A 34 -6.268 -3.179 -10.531 1.00 0.00 C ATOM 478 O LYS A 34 -6.853 -2.191 -10.089 1.00 0.00 O ATOM 479 CB LYS A 34 -6.547 -5.625 -10.084 1.00 0.00 C ATOM 480 CG LYS A 34 -6.611 -5.388 -8.585 1.00 0.00 C ATOM 481 CD LYS A 34 -8.046 -5.352 -8.088 1.00 0.00 C ATOM 482 CE LYS A 34 -8.146 -4.691 -6.722 1.00 0.00 C ATOM 483 NZ LYS A 34 -7.775 -5.626 -5.624 1.00 0.00 N ATOM 0 H LYS A 34 -6.566 -5.662 -12.548 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.098 -4.272 -10.705 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.144 -6.503 -10.330 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.518 -5.850 -10.364 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.065 -6.177 -8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.117 -4.447 -8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.666 -4.810 -8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.438 -6.367 -8.032 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.493 -3.819 -6.692 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.164 -4.333 -6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.621 -5.859 -5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.377 -6.497 -6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.068 -5.176 -5.009 1.00 0.00 H new ATOM 497 N MET A 35 -4.951 -3.223 -10.705 1.00 0.00 N ATOM 498 CA MET A 35 -4.100 -2.085 -10.379 1.00 0.00 C ATOM 499 C MET A 35 -4.716 -0.784 -10.883 1.00 0.00 C ATOM 500 O MET A 35 -4.556 0.271 -10.267 1.00 0.00 O ATOM 501 CB MET A 35 -2.708 -2.272 -10.986 1.00 0.00 C ATOM 502 CG MET A 35 -1.797 -3.161 -10.154 1.00 0.00 C ATOM 503 SD MET A 35 -1.338 -2.408 -8.582 1.00 0.00 S ATOM 504 CE MET A 35 -0.838 -3.852 -7.648 1.00 0.00 C ATOM 0 H MET A 35 -4.451 -4.034 -11.070 1.00 0.00 H new ATOM 0 HA MET A 35 -4.011 -2.028 -9.294 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.810 -2.701 -11.983 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.239 -1.296 -11.106 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.297 -4.111 -9.965 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.894 -3.383 -10.723 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.393 -3.538 -6.704 1.00 0.00 H new ATOM 0 HE2 MET A 35 -1.709 -4.476 -7.449 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.107 -4.421 -8.222 1.00 0.00 H new ATOM 514 N THR A 36 -5.421 -0.864 -12.007 1.00 0.00 N ATOM 515 CA THR A 36 -6.059 0.307 -12.594 1.00 0.00 C ATOM 516 C THR A 36 -7.296 0.715 -11.801 1.00 0.00 C ATOM 517 O THR A 36 -7.500 1.894 -11.516 1.00 0.00 O ATOM 518 CB THR A 36 -6.463 0.053 -14.058 1.00 0.00 C ATOM 519 OG1 THR A 36 -5.298 -0.208 -14.849 1.00 0.00 O ATOM 520 CG2 THR A 36 -7.213 1.247 -14.629 1.00 0.00 C ATOM 0 H THR A 36 -5.564 -1.728 -12.529 1.00 0.00 H new ATOM 0 HA THR A 36 -5.327 1.114 -12.562 1.00 0.00 H new ATOM 0 HB THR A 36 -7.122 -0.815 -14.084 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.563 -0.370 -15.778 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.487 1.043 -15.664 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.115 1.425 -14.043 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.575 2.130 -14.590 1.00 0.00 H new ATOM 528 N GLN A 37 -8.118 -0.269 -11.449 1.00 0.00 N ATOM 529 CA GLN A 37 -9.335 -0.012 -10.689 1.00 0.00 C ATOM 530 C GLN A 37 -9.020 0.718 -9.387 1.00 0.00 C ATOM 531 O GLN A 37 -9.780 1.582 -8.949 1.00 0.00 O ATOM 532 CB GLN A 37 -10.061 -1.324 -10.389 1.00 0.00 C ATOM 533 CG GLN A 37 -10.541 -2.052 -11.634 1.00 0.00 C ATOM 534 CD GLN A 37 -11.877 -1.536 -12.133 1.00 0.00 C ATOM 535 OE1 GLN A 37 -11.869 -0.348 -12.725 1.00 0.00 O flip ATOM 536 NE2 GLN A 37 -12.905 -2.199 -11.988 1.00 0.00 N flip ATOM 0 H GLN A 37 -7.963 -1.251 -11.678 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.983 0.623 -11.293 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.393 -1.979 -9.830 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -10.917 -1.117 -9.746 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.797 -1.944 -12.423 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.625 -3.117 -11.418 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.865 -3.108 -11.527 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.796 -1.839 -12.329 1.00 0.00 H new ATOM 545 N ILE A 38 -7.896 0.364 -8.774 1.00 0.00 N ATOM 546 CA ILE A 38 -7.480 0.986 -7.523 1.00 0.00 C ATOM 547 C ILE A 38 -6.994 2.413 -7.753 1.00 0.00 C ATOM 548 O ILE A 38 -7.495 3.359 -7.144 1.00 0.00 O ATOM 549 CB ILE A 38 -6.363 0.179 -6.836 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.687 -1.316 -6.874 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.173 0.650 -5.402 1.00 0.00 C ATOM 552 CD1 ILE A 38 -5.771 -2.154 -6.009 1.00 0.00 C ATOM 0 H ILE A 38 -7.257 -0.350 -9.123 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.355 1.003 -6.874 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.431 0.343 -7.377 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.717 -1.465 -6.549 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.623 -1.667 -7.904 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.380 0.070 -4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.901 1.706 -5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.102 0.513 -4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.058 -3.203 -6.084 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.742 -2.035 -6.347 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.852 -1.829 -4.972 1.00 0.00 H new ATOM 564 N THR A 39 -6.014 2.563 -8.639 1.00 0.00 N ATOM 565 CA THR A 39 -5.459 3.874 -8.951 1.00 0.00 C ATOM 566 C THR A 39 -6.561 4.869 -9.296 1.00 0.00 C ATOM 567 O THR A 39 -6.482 6.046 -8.944 1.00 0.00 O ATOM 568 CB THR A 39 -4.465 3.798 -10.125 1.00 0.00 C ATOM 569 OG1 THR A 39 -3.352 2.970 -9.772 1.00 0.00 O ATOM 570 CG2 THR A 39 -3.971 5.185 -10.506 1.00 0.00 C ATOM 0 H THR A 39 -5.588 1.792 -9.153 1.00 0.00 H new ATOM 0 HA THR A 39 -4.932 4.215 -8.060 1.00 0.00 H new ATOM 0 HB THR A 39 -4.981 3.365 -10.982 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.602 2.027 -9.868 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.270 5.106 -11.337 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.818 5.804 -10.803 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.470 5.640 -9.652 1.00 0.00 H new ATOM 578 N LYS A 40 -7.590 4.389 -9.986 1.00 0.00 N ATOM 579 CA LYS A 40 -8.711 5.236 -10.377 1.00 0.00 C ATOM 580 C LYS A 40 -9.459 5.750 -9.151 1.00 0.00 C ATOM 581 O LYS A 40 -9.867 6.910 -9.103 1.00 0.00 O ATOM 582 CB LYS A 40 -9.669 4.462 -11.285 1.00 0.00 C ATOM 583 CG LYS A 40 -9.163 4.302 -12.708 1.00 0.00 C ATOM 584 CD LYS A 40 -9.770 3.083 -13.382 1.00 0.00 C ATOM 585 CE LYS A 40 -11.244 3.294 -13.694 1.00 0.00 C ATOM 586 NZ LYS A 40 -12.106 3.018 -12.512 1.00 0.00 N ATOM 0 H LYS A 40 -7.671 3.418 -10.286 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.314 6.092 -10.923 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.844 3.475 -10.857 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.631 4.975 -11.306 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.405 5.195 -13.284 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.077 4.212 -12.701 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.229 2.869 -14.304 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.655 2.213 -12.735 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.402 4.320 -14.027 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.538 2.643 -14.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.965 2.519 -12.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.585 2.427 -11.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.370 3.916 -12.058 1.00 0.00 H new ATOM 600 N ALA A 41 -9.633 4.879 -8.162 1.00 0.00 N ATOM 601 CA ALA A 41 -10.329 5.247 -6.935 1.00 0.00 C ATOM 602 C ALA A 41 -9.491 6.205 -6.096 1.00 0.00 C ATOM 603 O ALA A 41 -9.996 7.210 -5.595 1.00 0.00 O ATOM 604 CB ALA A 41 -10.674 4.002 -6.131 1.00 0.00 C ATOM 0 H ALA A 41 -9.302 3.915 -8.187 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.253 5.757 -7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.193 4.291 -5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.318 3.353 -6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.758 3.469 -5.875 1.00 0.00 H new ATOM 610 N ALA A 42 -8.210 5.888 -5.945 1.00 0.00 N ATOM 611 CA ALA A 42 -7.302 6.722 -5.167 1.00 0.00 C ATOM 612 C ALA A 42 -7.246 8.141 -5.725 1.00 0.00 C ATOM 613 O ALA A 42 -7.587 9.102 -5.036 1.00 0.00 O ATOM 614 CB ALA A 42 -5.911 6.108 -5.142 1.00 0.00 C ATOM 0 H ALA A 42 -7.777 5.059 -6.351 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.682 6.775 -4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.244 6.742 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.959 5.117 -4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.532 6.024 -6.161 1.00 0.00 H new ATOM 620 N ILE A 43 -6.815 8.263 -6.976 1.00 0.00 N ATOM 621 CA ILE A 43 -6.715 9.564 -7.625 1.00 0.00 C ATOM 622 C ILE A 43 -8.026 10.335 -7.517 1.00 0.00 C ATOM 623 O ILE A 43 -8.033 11.564 -7.453 1.00 0.00 O ATOM 624 CB ILE A 43 -6.336 9.424 -9.111 1.00 0.00 C ATOM 625 CG1 ILE A 43 -4.989 8.711 -9.252 1.00 0.00 C ATOM 626 CG2 ILE A 43 -6.291 10.791 -9.778 1.00 0.00 C ATOM 627 CD1 ILE A 43 -3.802 9.596 -8.941 1.00 0.00 C ATOM 0 H ILE A 43 -6.530 7.477 -7.560 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.929 10.115 -7.108 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.097 8.824 -9.609 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.973 7.848 -8.587 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.893 8.332 -10.269 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.022 10.675 -10.828 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.270 11.264 -9.705 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.549 11.415 -9.280 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.881 9.025 -9.061 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.794 10.446 -9.623 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.875 9.955 -7.914 1.00 0.00 H new ATOM 639 N LYS A 44 -9.135 9.604 -7.494 1.00 0.00 N ATOM 640 CA LYS A 44 -10.454 10.217 -7.390 1.00 0.00 C ATOM 641 C LYS A 44 -10.679 10.788 -5.993 1.00 0.00 C ATOM 642 O LYS A 44 -11.286 11.848 -5.837 1.00 0.00 O ATOM 643 CB LYS A 44 -11.543 9.191 -7.714 1.00 0.00 C ATOM 644 CG LYS A 44 -11.886 9.116 -9.192 1.00 0.00 C ATOM 645 CD LYS A 44 -12.924 10.157 -9.577 1.00 0.00 C ATOM 646 CE LYS A 44 -14.333 9.687 -9.250 1.00 0.00 C ATOM 647 NZ LYS A 44 -14.859 8.750 -10.282 1.00 0.00 N ATOM 0 H LYS A 44 -9.147 8.585 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.506 11.033 -8.111 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.217 8.208 -7.375 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.444 9.440 -7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.983 9.265 -9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.262 8.121 -9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.719 11.089 -9.050 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.849 10.370 -10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.335 9.195 -8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.995 10.550 -9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.821 8.453 -10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.881 9.228 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.242 7.915 -10.339 1.00 0.00 H new ATOM 661 N ALA A 45 -10.186 10.081 -4.982 1.00 0.00 N ATOM 662 CA ALA A 45 -10.331 10.520 -3.600 1.00 0.00 C ATOM 663 C ALA A 45 -9.184 11.440 -3.193 1.00 0.00 C ATOM 664 O ALA A 45 -8.908 11.614 -2.006 1.00 0.00 O ATOM 665 CB ALA A 45 -10.402 9.319 -2.669 1.00 0.00 C ATOM 0 H ALA A 45 -9.682 9.201 -5.094 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.261 11.083 -3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.510 9.662 -1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.259 8.701 -2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.488 8.732 -2.762 1.00 0.00 H new ATOM 671 N ILE A 46 -8.520 12.024 -4.185 1.00 0.00 N ATOM 672 CA ILE A 46 -7.404 12.926 -3.929 1.00 0.00 C ATOM 673 C ILE A 46 -7.774 13.978 -2.889 1.00 0.00 C ATOM 674 O ILE A 46 -7.016 14.236 -1.954 1.00 0.00 O ATOM 675 CB ILE A 46 -6.945 13.633 -5.218 1.00 0.00 C ATOM 676 CG1 ILE A 46 -5.480 14.058 -5.099 1.00 0.00 C ATOM 677 CG2 ILE A 46 -7.829 14.838 -5.504 1.00 0.00 C ATOM 678 CD1 ILE A 46 -4.750 14.088 -6.423 1.00 0.00 C ATOM 0 H ILE A 46 -8.735 11.889 -5.173 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.586 12.315 -3.548 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.035 12.934 -6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.433 15.048 -4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.965 13.373 -4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.492 15.327 -6.418 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.861 14.511 -5.627 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.767 15.540 -4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.717 14.398 -6.262 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.765 13.094 -6.870 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.240 14.794 -7.093 1.00 0.00 H new ATOM 690 N LYS A 47 -8.946 14.581 -3.057 1.00 0.00 N ATOM 691 CA LYS A 47 -9.420 15.603 -2.132 1.00 0.00 C ATOM 692 C LYS A 47 -9.272 15.140 -0.686 1.00 0.00 C ATOM 693 O LYS A 47 -8.967 15.935 0.203 1.00 0.00 O ATOM 694 CB LYS A 47 -10.884 15.943 -2.422 1.00 0.00 C ATOM 695 CG LYS A 47 -11.771 14.721 -2.590 1.00 0.00 C ATOM 696 CD LYS A 47 -12.946 15.007 -3.510 1.00 0.00 C ATOM 697 CE LYS A 47 -14.085 14.027 -3.280 1.00 0.00 C ATOM 698 NZ LYS A 47 -14.005 12.857 -4.198 1.00 0.00 N ATOM 0 H LYS A 47 -9.585 14.379 -3.826 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.811 16.496 -2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.274 16.555 -1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.935 16.546 -3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.183 13.897 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.140 14.401 -1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.301 16.024 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.619 14.949 -4.548 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.062 13.680 -2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.037 14.537 -3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.780 12.196 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.086 13.182 -5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.093 12.375 -4.067 1.00 0.00 H new ATOM 712 N PHE A 48 -9.488 13.848 -0.459 1.00 0.00 N ATOM 713 CA PHE A 48 -9.378 13.279 0.880 1.00 0.00 C ATOM 714 C PHE A 48 -8.242 12.262 0.946 1.00 0.00 C ATOM 715 O PHE A 48 -8.175 11.449 1.869 1.00 0.00 O ATOM 716 CB PHE A 48 -10.696 12.616 1.285 1.00 0.00 C ATOM 717 CG PHE A 48 -11.911 13.395 0.871 1.00 0.00 C ATOM 718 CD1 PHE A 48 -11.904 14.781 0.898 1.00 0.00 C ATOM 719 CD2 PHE A 48 -13.060 12.743 0.454 1.00 0.00 C ATOM 720 CE1 PHE A 48 -13.021 15.500 0.518 1.00 0.00 C ATOM 721 CE2 PHE A 48 -14.180 13.457 0.073 1.00 0.00 C ATOM 722 CZ PHE A 48 -14.160 14.837 0.104 1.00 0.00 C ATOM 0 H PHE A 48 -9.740 13.176 -1.184 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.158 14.089 1.576 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.744 11.621 0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.710 12.485 2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.016 15.304 1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.081 11.664 0.426 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.004 16.580 0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -15.070 12.936 -0.249 1.00 0.00 H new ATOM 0 HZ PHE A 48 -15.033 15.397 -0.195 1.00 0.00 H new ATOM 732 N TYR A 49 -7.352 12.313 -0.039 1.00 0.00 N ATOM 733 CA TYR A 49 -6.221 11.395 -0.095 1.00 0.00 C ATOM 734 C TYR A 49 -5.644 11.155 1.297 1.00 0.00 C ATOM 735 O TYR A 49 -5.034 10.118 1.559 1.00 0.00 O ATOM 736 CB TYR A 49 -5.135 11.946 -1.021 1.00 0.00 C ATOM 737 CG TYR A 49 -4.155 12.863 -0.326 1.00 0.00 C ATOM 738 CD1 TYR A 49 -4.417 14.221 -0.194 1.00 0.00 C ATOM 739 CD2 TYR A 49 -2.966 12.372 0.199 1.00 0.00 C ATOM 740 CE1 TYR A 49 -3.524 15.064 0.440 1.00 0.00 C ATOM 741 CE2 TYR A 49 -2.067 13.207 0.836 1.00 0.00 C ATOM 742 CZ TYR A 49 -2.351 14.551 0.953 1.00 0.00 C ATOM 743 OH TYR A 49 -1.458 15.386 1.586 1.00 0.00 O ATOM 0 H TYR A 49 -7.392 12.980 -0.809 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.578 10.444 -0.490 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.589 11.113 -1.463 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.608 12.487 -1.840 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.335 14.625 -0.594 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.740 11.320 0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.743 16.117 0.533 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.148 12.809 1.240 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.521 16.285 1.200 1.00 0.00 H new ATOM 753 N LYS A 50 -5.843 12.121 2.187 1.00 0.00 N ATOM 754 CA LYS A 50 -5.346 12.017 3.553 1.00 0.00 C ATOM 755 C LYS A 50 -5.631 10.635 4.133 1.00 0.00 C ATOM 756 O LYS A 50 -4.939 10.178 5.043 1.00 0.00 O ATOM 757 CB LYS A 50 -5.985 13.093 4.434 1.00 0.00 C ATOM 758 CG LYS A 50 -5.849 14.498 3.873 1.00 0.00 C ATOM 759 CD LYS A 50 -4.419 14.793 3.449 1.00 0.00 C ATOM 760 CE LYS A 50 -4.197 16.282 3.235 1.00 0.00 C ATOM 761 NZ LYS A 50 -4.070 17.016 4.525 1.00 0.00 N ATOM 0 H LYS A 50 -6.346 12.986 1.986 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.267 12.167 3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.043 12.863 4.564 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.528 13.060 5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.515 14.615 3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.164 15.223 4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.730 14.427 4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.193 14.254 2.529 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.295 16.433 2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.028 16.694 2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.819 18.008 4.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.975 16.979 5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.327 16.575 5.104 1.00 0.00 H new ATOM 775 N HIS A 51 -6.654 9.975 3.599 1.00 0.00 N ATOM 776 CA HIS A 51 -7.029 8.644 4.062 1.00 0.00 C ATOM 777 C HIS A 51 -6.370 7.565 3.207 1.00 0.00 C ATOM 778 O HIS A 51 -5.680 6.686 3.723 1.00 0.00 O ATOM 779 CB HIS A 51 -8.549 8.479 4.029 1.00 0.00 C ATOM 780 CG HIS A 51 -9.221 8.863 5.312 1.00 0.00 C ATOM 781 ND1 HIS A 51 -9.171 10.010 6.028 1.00 0.00 N flip ATOM 782 CD2 HIS A 51 -10.061 8.016 6.004 1.00 0.00 C flip ATOM 783 CE1 HIS A 51 -9.975 9.838 7.128 1.00 0.00 C flip ATOM 784 NE2 HIS A 51 -10.500 8.627 7.090 1.00 0.00 N flip ATOM 0 H HIS A 51 -7.237 10.340 2.846 1.00 0.00 H new ATOM 0 HA HIS A 51 -6.681 8.532 5.089 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.955 9.086 3.220 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -8.789 7.441 3.799 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -10.319 7.011 5.705 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -10.150 10.574 7.899 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -11.136 8.231 7.782 1.00 0.00 H new ATOM 792 N VAL A 52 -6.589 7.639 1.898 1.00 0.00 N ATOM 793 CA VAL A 52 -6.016 6.669 0.972 1.00 0.00 C ATOM 794 C VAL A 52 -4.596 6.293 1.379 1.00 0.00 C ATOM 795 O VAL A 52 -4.338 5.167 1.804 1.00 0.00 O ATOM 796 CB VAL A 52 -5.999 7.212 -0.469 1.00 0.00 C ATOM 797 CG1 VAL A 52 -5.063 6.388 -1.340 1.00 0.00 C ATOM 798 CG2 VAL A 52 -7.405 7.227 -1.050 1.00 0.00 C ATOM 0 H VAL A 52 -7.159 8.360 1.455 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.648 5.782 1.011 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.628 8.237 -0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.064 6.787 -2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.053 6.434 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.400 5.352 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.374 7.614 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.806 6.213 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.044 7.865 -0.439 1.00 0.00 H new ATOM 808 N VAL A 53 -3.676 7.244 1.245 1.00 0.00 N ATOM 809 CA VAL A 53 -2.281 7.013 1.601 1.00 0.00 C ATOM 810 C VAL A 53 -2.168 6.138 2.844 1.00 0.00 C ATOM 811 O VAL A 53 -1.465 5.128 2.841 1.00 0.00 O ATOM 812 CB VAL A 53 -1.539 8.340 1.851 1.00 0.00 C ATOM 813 CG1 VAL A 53 -0.191 8.082 2.506 1.00 0.00 C ATOM 814 CG2 VAL A 53 -1.371 9.109 0.549 1.00 0.00 C ATOM 0 H VAL A 53 -3.872 8.181 0.893 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.820 6.500 0.757 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.135 8.948 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.319 9.030 2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.341 7.576 3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.416 7.455 1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.845 10.044 0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.796 8.509 -0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.352 9.326 0.125 1.00 0.00 H new ATOM 824 N GLN A 54 -2.865 6.533 3.904 1.00 0.00 N ATOM 825 CA GLN A 54 -2.842 5.784 5.155 1.00 0.00 C ATOM 826 C GLN A 54 -3.199 4.320 4.919 1.00 0.00 C ATOM 827 O GLN A 54 -2.428 3.421 5.254 1.00 0.00 O ATOM 828 CB GLN A 54 -3.814 6.402 6.162 1.00 0.00 C ATOM 829 CG GLN A 54 -3.713 5.798 7.553 1.00 0.00 C ATOM 830 CD GLN A 54 -4.612 6.492 8.557 1.00 0.00 C ATOM 831 OE1 GLN A 54 -5.786 6.745 8.286 1.00 0.00 O ATOM 832 NE2 GLN A 54 -4.064 6.806 9.726 1.00 0.00 N ATOM 0 H GLN A 54 -3.452 7.367 3.922 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.831 5.832 5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.626 7.474 6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.833 6.279 5.794 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -3.975 4.741 7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.680 5.855 7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.087 6.578 9.909 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.620 7.275 10.440 1.00 0.00 H new ATOM 841 N SER A 55 -4.373 4.088 4.340 1.00 0.00 N ATOM 842 CA SER A 55 -4.834 2.732 4.063 1.00 0.00 C ATOM 843 C SER A 55 -3.790 1.956 3.266 1.00 0.00 C ATOM 844 O SER A 55 -3.602 0.756 3.470 1.00 0.00 O ATOM 845 CB SER A 55 -6.156 2.767 3.295 1.00 0.00 C ATOM 846 OG SER A 55 -7.257 2.882 4.180 1.00 0.00 O ATOM 0 H SER A 55 -5.022 4.821 4.054 1.00 0.00 H new ATOM 0 HA SER A 55 -4.989 2.226 5.016 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.155 3.607 2.600 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.258 1.860 2.699 1.00 0.00 H new ATOM 0 HG SER A 55 -8.044 2.458 3.779 1.00 0.00 H new ATOM 852 N VAL A 56 -3.113 2.649 2.357 1.00 0.00 N ATOM 853 CA VAL A 56 -2.087 2.027 1.529 1.00 0.00 C ATOM 854 C VAL A 56 -0.960 1.458 2.384 1.00 0.00 C ATOM 855 O VAL A 56 -0.480 0.351 2.139 1.00 0.00 O ATOM 856 CB VAL A 56 -1.494 3.029 0.521 1.00 0.00 C ATOM 857 CG1 VAL A 56 -0.318 2.411 -0.220 1.00 0.00 C ATOM 858 CG2 VAL A 56 -2.563 3.497 -0.456 1.00 0.00 C ATOM 0 H VAL A 56 -3.257 3.642 2.175 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.571 1.217 0.983 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.130 3.897 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.087 3.135 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.455 2.130 0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.653 1.525 -0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.127 4.205 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.959 2.640 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.370 3.983 0.093 1.00 0.00 H new ATOM 868 N GLU A 57 -0.544 2.222 3.389 1.00 0.00 N ATOM 869 CA GLU A 57 0.527 1.793 4.281 1.00 0.00 C ATOM 870 C GLU A 57 0.045 0.690 5.219 1.00 0.00 C ATOM 871 O GLU A 57 0.762 -0.276 5.481 1.00 0.00 O ATOM 872 CB GLU A 57 1.048 2.979 5.096 1.00 0.00 C ATOM 873 CG GLU A 57 1.777 4.018 4.260 1.00 0.00 C ATOM 874 CD GLU A 57 0.874 5.158 3.829 1.00 0.00 C ATOM 875 OE1 GLU A 57 0.149 5.699 4.690 1.00 0.00 O ATOM 876 OE2 GLU A 57 0.893 5.508 2.631 1.00 0.00 O ATOM 0 H GLU A 57 -0.932 3.140 3.606 1.00 0.00 H new ATOM 0 HA GLU A 57 1.338 1.397 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.210 3.456 5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.721 2.610 5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.613 4.419 4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.197 3.538 3.376 1.00 0.00 H new ATOM 883 N LYS A 58 -1.175 0.842 5.723 1.00 0.00 N ATOM 884 CA LYS A 58 -1.756 -0.139 6.632 1.00 0.00 C ATOM 885 C LYS A 58 -1.944 -1.483 5.934 1.00 0.00 C ATOM 886 O LYS A 58 -1.293 -2.469 6.278 1.00 0.00 O ATOM 887 CB LYS A 58 -3.099 0.362 7.166 1.00 0.00 C ATOM 888 CG LYS A 58 -3.012 1.709 7.863 1.00 0.00 C ATOM 889 CD LYS A 58 -2.203 1.621 9.147 1.00 0.00 C ATOM 890 CE LYS A 58 -1.851 3.002 9.679 1.00 0.00 C ATOM 891 NZ LYS A 58 -1.682 2.999 11.158 1.00 0.00 N ATOM 0 H LYS A 58 -1.781 1.636 5.517 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.068 -0.275 7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.805 0.435 6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.500 -0.373 7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.555 2.438 7.193 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.016 2.069 8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.771 1.074 9.899 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.289 1.056 8.964 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.931 3.349 9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.635 3.708 9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.443 3.958 11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.568 2.692 11.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.917 2.345 11.419 1.00 0.00 H new ATOM 905 N PHE A 59 -2.837 -1.513 4.950 1.00 0.00 N ATOM 906 CA PHE A 59 -3.110 -2.735 4.203 1.00 0.00 C ATOM 907 C PHE A 59 -1.828 -3.531 3.975 1.00 0.00 C ATOM 908 O PHE A 59 -1.844 -4.763 3.959 1.00 0.00 O ATOM 909 CB PHE A 59 -3.763 -2.403 2.860 1.00 0.00 C ATOM 910 CG PHE A 59 -3.662 -3.513 1.853 1.00 0.00 C ATOM 911 CD1 PHE A 59 -4.561 -4.567 1.873 1.00 0.00 C ATOM 912 CD2 PHE A 59 -2.670 -3.501 0.886 1.00 0.00 C ATOM 913 CE1 PHE A 59 -4.470 -5.590 0.949 1.00 0.00 C ATOM 914 CE2 PHE A 59 -2.575 -4.521 -0.041 1.00 0.00 C ATOM 915 CZ PHE A 59 -3.477 -5.567 -0.011 1.00 0.00 C ATOM 0 H PHE A 59 -3.384 -0.705 4.652 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.796 -3.345 4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.814 -2.167 3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.296 -1.508 2.450 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.342 -4.589 2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.963 -2.685 0.856 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.175 -6.408 0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.796 -4.501 -0.789 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.406 -6.364 -0.736 1.00 0.00 H new ATOM 925 N ILE A 60 -0.721 -2.819 3.798 1.00 0.00 N ATOM 926 CA ILE A 60 0.570 -3.458 3.572 1.00 0.00 C ATOM 927 C ILE A 60 1.029 -4.224 4.808 1.00 0.00 C ATOM 928 O ILE A 60 1.528 -5.344 4.706 1.00 0.00 O ATOM 929 CB ILE A 60 1.649 -2.428 3.190 1.00 0.00 C ATOM 930 CG1 ILE A 60 1.457 -1.969 1.743 1.00 0.00 C ATOM 931 CG2 ILE A 60 3.037 -3.018 3.385 1.00 0.00 C ATOM 932 CD1 ILE A 60 2.379 -0.839 1.340 1.00 0.00 C ATOM 0 H ILE A 60 -0.691 -1.799 3.807 1.00 0.00 H new ATOM 0 HA ILE A 60 0.436 -4.155 2.745 1.00 0.00 H new ATOM 0 HB ILE A 60 1.550 -1.561 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.621 -2.816 1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.424 -1.651 1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.789 -2.278 3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.169 -3.300 4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.149 -3.900 2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.187 -0.565 0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.200 0.024 1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.415 -1.160 1.445 1.00 0.00 H new ATOM 944 N GLN A 61 0.854 -3.612 5.975 1.00 0.00 N ATOM 945 CA GLN A 61 1.249 -4.237 7.232 1.00 0.00 C ATOM 946 C GLN A 61 0.193 -5.232 7.701 1.00 0.00 C ATOM 947 O GLN A 61 0.423 -6.006 8.630 1.00 0.00 O ATOM 948 CB GLN A 61 1.477 -3.172 8.306 1.00 0.00 C ATOM 949 CG GLN A 61 0.190 -2.620 8.897 1.00 0.00 C ATOM 950 CD GLN A 61 0.360 -2.145 10.326 1.00 0.00 C ATOM 951 OE1 GLN A 61 0.443 -0.945 10.589 1.00 0.00 O ATOM 952 NE2 GLN A 61 0.414 -3.087 11.261 1.00 0.00 N ATOM 0 H GLN A 61 0.442 -2.685 6.076 1.00 0.00 H new ATOM 0 HA GLN A 61 2.180 -4.777 7.063 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.081 -3.599 9.107 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.051 -2.351 7.876 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.161 -1.791 8.282 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.580 -3.391 8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.341 -4.070 10.999 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.528 -2.827 12.241 1.00 0.00 H new ATOM 961 N LYS A 62 -0.966 -5.207 7.052 1.00 0.00 N ATOM 962 CA LYS A 62 -2.059 -6.107 7.401 1.00 0.00 C ATOM 963 C LYS A 62 -2.117 -7.290 6.440 1.00 0.00 C ATOM 964 O LYS A 62 -2.580 -8.373 6.801 1.00 0.00 O ATOM 965 CB LYS A 62 -3.392 -5.355 7.383 1.00 0.00 C ATOM 966 CG LYS A 62 -3.355 -4.034 8.131 1.00 0.00 C ATOM 967 CD LYS A 62 -3.310 -4.246 9.635 1.00 0.00 C ATOM 968 CE LYS A 62 -4.703 -4.446 10.212 1.00 0.00 C ATOM 969 NZ LYS A 62 -4.764 -4.077 11.653 1.00 0.00 N ATOM 0 H LYS A 62 -1.173 -4.573 6.281 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.877 -6.487 8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.681 -5.169 6.349 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.163 -5.989 7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.482 -3.461 7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.234 -3.443 7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.693 -5.115 9.863 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.838 -3.386 10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.418 -3.843 9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.000 -5.488 10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.729 -4.227 12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.100 -4.669 12.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.505 -3.076 11.766 1.00 0.00 H new ATOM 983 N CYS A 63 -1.643 -7.077 5.218 1.00 0.00 N ATOM 984 CA CYS A 63 -1.641 -8.127 4.205 1.00 0.00 C ATOM 985 C CYS A 63 -0.679 -9.248 4.586 1.00 0.00 C ATOM 986 O CYS A 63 -0.091 -9.235 5.667 1.00 0.00 O ATOM 987 CB CYS A 63 -1.257 -7.549 2.842 1.00 0.00 C ATOM 988 SG CYS A 63 0.524 -7.350 2.601 1.00 0.00 S ATOM 0 H CYS A 63 -1.255 -6.187 4.904 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.647 -8.542 4.145 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.648 -8.200 2.060 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.740 -6.579 2.721 1.00 0.00 H new ATOM 0 HG CYS A 63 1.006 -6.589 3.538 1.00 0.00 H new ATOM 994 N LYS A 64 -0.524 -10.217 3.690 1.00 0.00 N ATOM 995 CA LYS A 64 0.367 -11.346 3.931 1.00 0.00 C ATOM 996 C LYS A 64 1.725 -11.118 3.274 1.00 0.00 C ATOM 997 O LYS A 64 1.861 -10.343 2.328 1.00 0.00 O ATOM 998 CB LYS A 64 -0.259 -12.638 3.398 1.00 0.00 C ATOM 999 CG LYS A 64 -1.645 -12.915 3.953 1.00 0.00 C ATOM 1000 CD LYS A 64 -2.729 -12.335 3.060 1.00 0.00 C ATOM 1001 CE LYS A 64 -4.111 -12.521 3.668 1.00 0.00 C ATOM 1002 NZ LYS A 64 -4.717 -13.824 3.279 1.00 0.00 N ATOM 0 H LYS A 64 -1.004 -10.243 2.790 1.00 0.00 H new ATOM 0 HA LYS A 64 0.515 -11.437 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.316 -12.583 2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.395 -13.476 3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.790 -13.991 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.729 -12.489 4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.541 -11.273 2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.693 -12.816 2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.041 -12.463 4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.762 -11.708 3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.658 -13.913 3.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.808 -13.869 2.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.109 -14.601 3.608 1.00 0.00 H new ATOM 1016 N PRO A 65 2.754 -11.810 3.786 1.00 0.00 N ATOM 1017 CA PRO A 65 4.119 -11.700 3.263 1.00 0.00 C ATOM 1018 C PRO A 65 4.168 -11.816 1.743 1.00 0.00 C ATOM 1019 O PRO A 65 5.138 -11.398 1.111 1.00 0.00 O ATOM 1020 CB PRO A 65 4.843 -12.881 3.913 1.00 0.00 C ATOM 1021 CG PRO A 65 4.087 -13.145 5.169 1.00 0.00 C ATOM 1022 CD PRO A 65 2.664 -12.752 4.914 1.00 0.00 C ATOM 0 HA PRO A 65 4.566 -10.732 3.489 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.842 -13.754 3.260 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.885 -12.640 4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.153 -14.197 5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.503 -12.572 5.997 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.049 -13.617 4.664 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.215 -12.284 5.790 1.00 0.00 H new ATOM 1030 N GLU A 66 3.117 -12.387 1.163 1.00 0.00 N ATOM 1031 CA GLU A 66 3.042 -12.557 -0.283 1.00 0.00 C ATOM 1032 C GLU A 66 2.497 -11.299 -0.952 1.00 0.00 C ATOM 1033 O GLU A 66 2.835 -10.994 -2.096 1.00 0.00 O ATOM 1034 CB GLU A 66 2.159 -13.757 -0.632 1.00 0.00 C ATOM 1035 CG GLU A 66 0.680 -13.517 -0.384 1.00 0.00 C ATOM 1036 CD GLU A 66 -0.171 -14.730 -0.709 1.00 0.00 C ATOM 1037 OE1 GLU A 66 -0.047 -15.256 -1.835 1.00 0.00 O ATOM 1038 OE2 GLU A 66 -0.959 -15.153 0.162 1.00 0.00 O ATOM 0 H GLU A 66 2.306 -12.739 1.672 1.00 0.00 H new ATOM 0 HA GLU A 66 4.051 -12.736 -0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.306 -14.012 -1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.482 -14.618 -0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.530 -13.242 0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.347 -12.672 -0.987 1.00 0.00 H new ATOM 1045 N TYR A 67 1.650 -10.572 -0.231 1.00 0.00 N ATOM 1046 CA TYR A 67 1.055 -9.349 -0.755 1.00 0.00 C ATOM 1047 C TYR A 67 1.946 -8.144 -0.469 1.00 0.00 C ATOM 1048 O TYR A 67 1.469 -7.013 -0.366 1.00 0.00 O ATOM 1049 CB TYR A 67 -0.330 -9.128 -0.144 1.00 0.00 C ATOM 1050 CG TYR A 67 -1.390 -10.054 -0.697 1.00 0.00 C ATOM 1051 CD1 TYR A 67 -2.000 -9.793 -1.918 1.00 0.00 C ATOM 1052 CD2 TYR A 67 -1.781 -11.190 0.000 1.00 0.00 C ATOM 1053 CE1 TYR A 67 -2.969 -10.635 -2.427 1.00 0.00 C ATOM 1054 CE2 TYR A 67 -2.748 -12.039 -0.502 1.00 0.00 C ATOM 1055 CZ TYR A 67 -3.340 -11.757 -1.716 1.00 0.00 C ATOM 1056 OH TYR A 67 -4.304 -12.599 -2.220 1.00 0.00 O ATOM 0 H TYR A 67 1.360 -10.809 0.718 1.00 0.00 H new ATOM 0 HA TYR A 67 0.956 -9.458 -1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.268 -9.264 0.936 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.634 -8.096 -0.318 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.711 -8.916 -2.479 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.321 -11.413 0.951 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.434 -10.416 -3.377 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.039 -12.919 0.053 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.596 -12.274 -3.097 1.00 0.00 H new ATOM 1066 N LYS A 68 3.245 -8.394 -0.343 1.00 0.00 N ATOM 1067 CA LYS A 68 4.207 -7.332 -0.072 1.00 0.00 C ATOM 1068 C LYS A 68 4.647 -6.653 -1.365 1.00 0.00 C ATOM 1069 O LYS A 68 5.102 -5.509 -1.353 1.00 0.00 O ATOM 1070 CB LYS A 68 5.426 -7.895 0.662 1.00 0.00 C ATOM 1071 CG LYS A 68 5.099 -8.483 2.023 1.00 0.00 C ATOM 1072 CD LYS A 68 4.226 -7.546 2.840 1.00 0.00 C ATOM 1073 CE LYS A 68 4.143 -7.986 4.294 1.00 0.00 C ATOM 1074 NZ LYS A 68 3.463 -6.970 5.144 1.00 0.00 N ATOM 0 H LYS A 68 3.656 -9.324 -0.424 1.00 0.00 H new ATOM 0 HA LYS A 68 3.721 -6.589 0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.888 -8.665 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.163 -7.102 0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.589 -9.438 1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.023 -8.685 2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.628 -6.534 2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.225 -7.514 2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.604 -8.931 4.357 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.148 -8.166 4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.036 -7.437 5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.157 -6.266 5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.720 -6.496 4.592 1.00 0.00 H new ATOM 1088 N VAL A 69 4.506 -7.364 -2.479 1.00 0.00 N ATOM 1089 CA VAL A 69 4.886 -6.828 -3.781 1.00 0.00 C ATOM 1090 C VAL A 69 3.782 -5.949 -4.357 1.00 0.00 C ATOM 1091 O VAL A 69 4.019 -4.829 -4.810 1.00 0.00 O ATOM 1092 CB VAL A 69 5.203 -7.956 -4.780 1.00 0.00 C ATOM 1093 CG1 VAL A 69 4.837 -7.535 -6.195 1.00 0.00 C ATOM 1094 CG2 VAL A 69 6.672 -8.346 -4.695 1.00 0.00 C ATOM 0 H VAL A 69 4.132 -8.312 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 69 5.782 -6.226 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 69 4.603 -8.828 -4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.068 -8.345 -6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.772 -7.309 -6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.408 -6.649 -6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.878 -9.144 -5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.292 -7.481 -4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.899 -8.692 -3.687 1.00 0.00 H new ATOM 1104 N PRO A 70 2.545 -6.466 -4.341 1.00 0.00 N ATOM 1105 CA PRO A 70 1.378 -5.744 -4.858 1.00 0.00 C ATOM 1106 C PRO A 70 1.308 -4.311 -4.341 1.00 0.00 C ATOM 1107 O PRO A 70 1.344 -3.358 -5.119 1.00 0.00 O ATOM 1108 CB PRO A 70 0.195 -6.560 -4.333 1.00 0.00 C ATOM 1109 CG PRO A 70 0.735 -7.936 -4.149 1.00 0.00 C ATOM 1110 CD PRO A 70 2.189 -7.795 -3.817 1.00 0.00 C ATOM 0 HA PRO A 70 1.402 -5.654 -5.944 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.181 -6.153 -3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.636 -6.552 -5.039 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.205 -8.454 -3.350 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.602 -8.527 -5.055 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.362 -7.860 -2.743 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.783 -8.581 -4.284 1.00 0.00 H new ATOM 1118 N GLY A 71 1.208 -4.166 -3.023 1.00 0.00 N ATOM 1119 CA GLY A 71 1.134 -2.845 -2.426 1.00 0.00 C ATOM 1120 C GLY A 71 2.035 -1.843 -3.121 1.00 0.00 C ATOM 1121 O GLY A 71 1.576 -0.792 -3.570 1.00 0.00 O ATOM 0 H GLY A 71 1.177 -4.939 -2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.104 -2.490 -2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.411 -2.909 -1.374 1.00 0.00 H new ATOM 1125 N LEU A 72 3.320 -2.168 -3.210 1.00 0.00 N ATOM 1126 CA LEU A 72 4.289 -1.287 -3.854 1.00 0.00 C ATOM 1127 C LEU A 72 3.762 -0.788 -5.196 1.00 0.00 C ATOM 1128 O LEU A 72 3.864 0.398 -5.512 1.00 0.00 O ATOM 1129 CB LEU A 72 5.617 -2.018 -4.055 1.00 0.00 C ATOM 1130 CG LEU A 72 6.871 -1.144 -4.052 1.00 0.00 C ATOM 1131 CD1 LEU A 72 6.767 -0.057 -5.111 1.00 0.00 C ATOM 1132 CD2 LEU A 72 7.091 -0.531 -2.677 1.00 0.00 C ATOM 0 H LEU A 72 3.715 -3.034 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 72 4.450 -0.427 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.719 -2.767 -3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.574 -2.554 -5.003 1.00 0.00 H new ATOM 0 HG LEU A 72 7.729 -1.773 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.669 0.555 -5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.658 -0.516 -6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.899 0.570 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.988 0.088 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.231 0.084 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.212 -1.325 -1.940 1.00 0.00 H new ATOM 1144 N TYR A 73 3.198 -1.699 -5.980 1.00 0.00 N ATOM 1145 CA TYR A 73 2.655 -1.352 -7.288 1.00 0.00 C ATOM 1146 C TYR A 73 1.503 -0.361 -7.154 1.00 0.00 C ATOM 1147 O TYR A 73 1.352 0.548 -7.970 1.00 0.00 O ATOM 1148 CB TYR A 73 2.179 -2.610 -8.017 1.00 0.00 C ATOM 1149 CG TYR A 73 3.291 -3.586 -8.329 1.00 0.00 C ATOM 1150 CD1 TYR A 73 4.619 -3.257 -8.085 1.00 0.00 C ATOM 1151 CD2 TYR A 73 3.014 -4.836 -8.868 1.00 0.00 C ATOM 1152 CE1 TYR A 73 5.638 -4.146 -8.369 1.00 0.00 C ATOM 1153 CE2 TYR A 73 4.027 -5.731 -9.154 1.00 0.00 C ATOM 1154 CZ TYR A 73 5.337 -5.381 -8.902 1.00 0.00 C ATOM 1155 OH TYR A 73 6.349 -6.270 -9.187 1.00 0.00 O ATOM 0 H TYR A 73 3.105 -2.684 -5.733 1.00 0.00 H new ATOM 0 HA TYR A 73 3.448 -0.882 -7.869 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.428 -3.111 -7.407 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.691 -2.318 -8.947 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.859 -2.291 -7.667 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.989 -5.113 -9.067 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.665 -3.875 -8.174 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.794 -6.699 -9.572 1.00 0.00 H new ATOM 0 HH TYR A 73 5.967 -7.094 -9.556 1.00 0.00 H new ATOM 1165 N VAL A 74 0.691 -0.545 -6.117 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.447 0.333 -5.873 1.00 0.00 C ATOM 1167 C VAL A 74 0.007 1.765 -5.618 1.00 0.00 C ATOM 1168 O VAL A 74 -0.602 2.717 -6.107 1.00 0.00 O ATOM 1169 CB VAL A 74 -1.282 -0.151 -4.672 1.00 0.00 C ATOM 1170 CG1 VAL A 74 -2.310 0.898 -4.279 1.00 0.00 C ATOM 1171 CG2 VAL A 74 -1.956 -1.477 -4.992 1.00 0.00 C ATOM 0 H VAL A 74 0.800 -1.294 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.065 0.306 -6.771 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.613 -0.305 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.890 0.538 -3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.801 1.822 -4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.977 1.087 -5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.542 -1.804 -4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.613 -1.353 -5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.197 -2.225 -5.220 1.00 0.00 H new ATOM 1181 N ILE A 75 1.082 1.911 -4.850 1.00 0.00 N ATOM 1182 CA ILE A 75 1.619 3.228 -4.531 1.00 0.00 C ATOM 1183 C ILE A 75 2.217 3.891 -5.767 1.00 0.00 C ATOM 1184 O ILE A 75 2.055 5.093 -5.978 1.00 0.00 O ATOM 1185 CB ILE A 75 2.697 3.146 -3.434 1.00 0.00 C ATOM 1186 CG1 ILE A 75 2.087 2.635 -2.127 1.00 0.00 C ATOM 1187 CG2 ILE A 75 3.346 4.506 -3.226 1.00 0.00 C ATOM 1188 CD1 ILE A 75 3.114 2.133 -1.136 1.00 0.00 C ATOM 0 H ILE A 75 1.598 1.134 -4.437 1.00 0.00 H new ATOM 0 HA ILE A 75 0.786 3.829 -4.166 1.00 0.00 H new ATOM 0 HB ILE A 75 3.467 2.443 -3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.511 3.438 -1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.388 1.830 -2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.105 4.432 -2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.810 4.834 -4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.588 5.229 -2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.610 1.787 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.674 1.309 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.799 2.941 -0.881 1.00 0.00 H new ATOM 1200 N ASP A 76 2.908 3.100 -6.580 1.00 0.00 N ATOM 1201 CA ASP A 76 3.528 3.610 -7.798 1.00 0.00 C ATOM 1202 C ASP A 76 2.470 4.029 -8.813 1.00 0.00 C ATOM 1203 O ASP A 76 2.483 5.155 -9.310 1.00 0.00 O ATOM 1204 CB ASP A 76 4.448 2.551 -8.409 1.00 0.00 C ATOM 1205 CG ASP A 76 4.740 2.814 -9.873 1.00 0.00 C ATOM 1206 OD1 ASP A 76 5.522 3.744 -10.164 1.00 0.00 O ATOM 1207 OD2 ASP A 76 4.189 2.089 -10.727 1.00 0.00 O ATOM 0 H ASP A 76 3.053 2.103 -6.418 1.00 0.00 H new ATOM 0 HA ASP A 76 4.120 4.487 -7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 76 5.385 2.524 -7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.987 1.569 -8.304 1.00 0.00 H new ATOM 1212 N SER A 77 1.554 3.115 -9.117 1.00 0.00 N ATOM 1213 CA SER A 77 0.491 3.388 -10.077 1.00 0.00 C ATOM 1214 C SER A 77 -0.239 4.681 -9.726 1.00 0.00 C ATOM 1215 O SER A 77 -0.663 5.426 -10.610 1.00 0.00 O ATOM 1216 CB SER A 77 -0.501 2.223 -10.116 1.00 0.00 C ATOM 1217 OG SER A 77 -1.229 2.214 -11.332 1.00 0.00 O ATOM 0 H SER A 77 1.527 2.179 -8.712 1.00 0.00 H new ATOM 0 HA SER A 77 0.945 3.503 -11.061 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.035 1.281 -10.002 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.191 2.300 -9.276 1.00 0.00 H new ATOM 0 HG SER A 77 -2.156 2.482 -11.160 1.00 0.00 H new ATOM 1223 N ILE A 78 -0.382 4.939 -8.431 1.00 0.00 N ATOM 1224 CA ILE A 78 -1.059 6.142 -7.962 1.00 0.00 C ATOM 1225 C ILE A 78 -0.181 7.374 -8.146 1.00 0.00 C ATOM 1226 O ILE A 78 -0.435 8.207 -9.016 1.00 0.00 O ATOM 1227 CB ILE A 78 -1.454 6.023 -6.478 1.00 0.00 C ATOM 1228 CG1 ILE A 78 -2.642 5.071 -6.318 1.00 0.00 C ATOM 1229 CG2 ILE A 78 -1.787 7.394 -5.908 1.00 0.00 C ATOM 1230 CD1 ILE A 78 -2.708 4.411 -4.959 1.00 0.00 C ATOM 0 H ILE A 78 -0.038 4.331 -7.687 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.962 6.250 -8.562 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.609 5.615 -5.924 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.566 5.624 -6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.585 4.299 -7.085 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.064 7.294 -4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.917 8.045 -5.993 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.619 7.827 -6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.574 3.751 -4.917 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.801 3.831 -4.792 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.797 5.176 -4.187 1.00 0.00 H new ATOM 1242 N VAL A 79 0.856 7.484 -7.321 1.00 0.00 N ATOM 1243 CA VAL A 79 1.775 8.613 -7.394 1.00 0.00 C ATOM 1244 C VAL A 79 2.043 9.011 -8.841 1.00 0.00 C ATOM 1245 O VAL A 79 2.129 10.196 -9.164 1.00 0.00 O ATOM 1246 CB VAL A 79 3.115 8.292 -6.705 1.00 0.00 C ATOM 1247 CG1 VAL A 79 4.075 9.465 -6.832 1.00 0.00 C ATOM 1248 CG2 VAL A 79 2.890 7.932 -5.245 1.00 0.00 C ATOM 0 H VAL A 79 1.080 6.804 -6.594 1.00 0.00 H new ATOM 0 HA VAL A 79 1.297 9.444 -6.874 1.00 0.00 H new ATOM 0 HB VAL A 79 3.563 7.432 -7.202 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.016 9.220 -6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.260 9.671 -7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.638 10.346 -6.361 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.847 7.708 -4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.420 8.771 -4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.241 7.058 -5.181 1.00 0.00 H new ATOM 1258 N ARG A 80 2.172 8.014 -9.709 1.00 0.00 N ATOM 1259 CA ARG A 80 2.430 8.260 -11.123 1.00 0.00 C ATOM 1260 C ARG A 80 1.276 9.028 -11.761 1.00 0.00 C ATOM 1261 O ARG A 80 1.490 10.007 -12.474 1.00 0.00 O ATOM 1262 CB ARG A 80 2.647 6.937 -11.861 1.00 0.00 C ATOM 1263 CG ARG A 80 4.083 6.442 -11.814 1.00 0.00 C ATOM 1264 CD ARG A 80 4.406 5.554 -13.006 1.00 0.00 C ATOM 1265 NE ARG A 80 4.628 6.332 -14.222 1.00 0.00 N ATOM 1266 CZ ARG A 80 4.660 5.799 -15.439 1.00 0.00 C ATOM 1267 NH1 ARG A 80 4.483 4.495 -15.600 1.00 0.00 N ATOM 1268 NH2 ARG A 80 4.867 6.572 -16.497 1.00 0.00 N ATOM 0 H ARG A 80 2.102 7.028 -9.458 1.00 0.00 H new ATOM 0 HA ARG A 80 3.333 8.865 -11.202 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.996 6.178 -11.428 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.347 7.058 -12.902 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.762 7.294 -11.799 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.248 5.887 -10.890 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.294 4.962 -12.787 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.587 4.853 -13.168 1.00 0.00 H new ATOM 0 HE ARG A 80 4.766 7.339 -14.132 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.322 3.898 -14.789 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.508 4.089 -16.535 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.002 7.576 -16.377 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.892 6.162 -17.431 1.00 0.00 H new ATOM 1282 N GLN A 81 0.055 8.575 -11.499 1.00 0.00 N ATOM 1283 CA GLN A 81 -1.132 9.219 -12.049 1.00 0.00 C ATOM 1284 C GLN A 81 -1.240 10.663 -11.569 1.00 0.00 C ATOM 1285 O GLN A 81 -1.185 11.598 -12.367 1.00 0.00 O ATOM 1286 CB GLN A 81 -2.390 8.442 -11.653 1.00 0.00 C ATOM 1287 CG GLN A 81 -2.765 7.349 -12.640 1.00 0.00 C ATOM 1288 CD GLN A 81 -2.846 7.853 -14.067 1.00 0.00 C ATOM 1289 OE1 GLN A 81 -3.464 9.014 -14.251 1.00 0.00 O flip ATOM 1290 NE2 GLN A 81 -2.358 7.207 -14.995 1.00 0.00 N flip ATOM 0 H GLN A 81 -0.139 7.765 -10.910 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.042 9.222 -13.135 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.237 7.996 -10.670 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.223 9.139 -11.561 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.030 6.546 -12.584 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.726 6.922 -12.355 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.892 6.319 -14.809 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.420 7.560 -15.950 1.00 0.00 H new ATOM 1299 N SER A 82 -1.395 10.836 -10.260 1.00 0.00 N ATOM 1300 CA SER A 82 -1.514 12.166 -9.674 1.00 0.00 C ATOM 1301 C SER A 82 -0.485 13.119 -10.275 1.00 0.00 C ATOM 1302 O SER A 82 -0.835 14.174 -10.805 1.00 0.00 O ATOM 1303 CB SER A 82 -1.336 12.096 -8.157 1.00 0.00 C ATOM 1304 OG SER A 82 -0.377 11.115 -7.801 1.00 0.00 O ATOM 0 H SER A 82 -1.441 10.072 -9.586 1.00 0.00 H new ATOM 0 HA SER A 82 -2.510 12.547 -9.898 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.023 13.069 -7.779 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.291 11.863 -7.686 1.00 0.00 H new ATOM 0 HG SER A 82 0.476 11.551 -7.596 1.00 0.00 H new ATOM 1310 N ARG A 83 0.785 12.739 -10.188 1.00 0.00 N ATOM 1311 CA ARG A 83 1.866 13.559 -10.722 1.00 0.00 C ATOM 1312 C ARG A 83 1.535 14.046 -12.129 1.00 0.00 C ATOM 1313 O ARG A 83 1.980 15.115 -12.548 1.00 0.00 O ATOM 1314 CB ARG A 83 3.175 12.767 -10.739 1.00 0.00 C ATOM 1315 CG ARG A 83 3.972 12.880 -9.449 1.00 0.00 C ATOM 1316 CD ARG A 83 4.918 11.702 -9.275 1.00 0.00 C ATOM 1317 NE ARG A 83 5.975 11.988 -8.308 1.00 0.00 N ATOM 1318 CZ ARG A 83 6.970 12.838 -8.536 1.00 0.00 C ATOM 1319 NH1 ARG A 83 7.043 13.482 -9.692 1.00 0.00 N ATOM 1320 NH2 ARG A 83 7.894 13.045 -7.606 1.00 0.00 N ATOM 0 H ARG A 83 1.091 11.869 -9.753 1.00 0.00 H new ATOM 0 HA ARG A 83 1.983 14.428 -10.074 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.952 11.717 -10.928 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.790 13.116 -11.568 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.542 13.809 -9.452 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.289 12.928 -8.601 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.354 10.829 -8.948 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.365 11.450 -10.237 1.00 0.00 H new ATOM 0 HE ARG A 83 5.947 11.509 -7.408 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.334 13.325 -10.409 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.808 14.134 -9.865 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.841 12.551 -6.715 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.658 13.698 -7.782 1.00 0.00 H new ATOM 1334 N HIS A 84 0.753 13.254 -12.856 1.00 0.00 N ATOM 1335 CA HIS A 84 0.363 13.604 -14.217 1.00 0.00 C ATOM 1336 C HIS A 84 -0.995 14.299 -14.230 1.00 0.00 C ATOM 1337 O HIS A 84 -1.084 15.502 -14.474 1.00 0.00 O ATOM 1338 CB HIS A 84 0.317 12.353 -15.095 1.00 0.00 C ATOM 1339 CG HIS A 84 -0.221 12.605 -16.470 1.00 0.00 C ATOM 1340 ND1 HIS A 84 0.585 12.886 -17.553 1.00 0.00 N ATOM 1341 CD2 HIS A 84 -1.492 12.617 -16.934 1.00 0.00 C ATOM 1342 CE1 HIS A 84 -0.168 13.061 -18.625 1.00 0.00 C ATOM 1343 NE2 HIS A 84 -1.432 12.902 -18.276 1.00 0.00 N ATOM 0 H HIS A 84 0.377 12.365 -12.525 1.00 0.00 H new ATOM 0 HA HIS A 84 1.108 14.292 -14.617 1.00 0.00 H new ATOM 0 HB2 HIS A 84 1.322 11.940 -15.177 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -0.299 11.598 -14.606 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -2.387 12.436 -16.357 1.00 0.00 H new ATOM 0 HE1 HIS A 84 0.189 13.294 -19.617 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -2.234 12.979 -18.902 1.00 0.00 H new ATOM 1351 N GLN A 85 -2.049 13.533 -13.968 1.00 0.00 N ATOM 1352 CA GLN A 85 -3.402 14.076 -13.952 1.00 0.00 C ATOM 1353 C GLN A 85 -3.418 15.480 -13.357 1.00 0.00 C ATOM 1354 O GLN A 85 -3.748 16.451 -14.039 1.00 0.00 O ATOM 1355 CB GLN A 85 -4.333 13.161 -13.155 1.00 0.00 C ATOM 1356 CG GLN A 85 -5.006 12.092 -14.001 1.00 0.00 C ATOM 1357 CD GLN A 85 -6.383 11.722 -13.487 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -6.440 10.737 -12.598 1.00 0.00 O flip ATOM 1359 NE2 GLN A 85 -7.386 12.316 -13.884 1.00 0.00 N flip ATOM 0 H GLN A 85 -1.992 12.535 -13.764 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.755 14.133 -14.982 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.763 12.679 -12.361 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.100 13.767 -12.673 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.089 12.446 -15.028 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.378 11.201 -14.021 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.296 13.067 -14.568 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.306 12.057 -13.529 1.00 0.00 H new ATOM 1449 N ASP A 91 0.329 16.850 -7.149 1.00 0.00 N ATOM 1450 CA ASP A 91 0.405 15.532 -6.528 1.00 0.00 C ATOM 1451 C ASP A 91 0.492 15.650 -5.010 1.00 0.00 C ATOM 1452 O ASP A 91 1.033 16.623 -4.483 1.00 0.00 O ATOM 1453 CB ASP A 91 1.614 14.762 -7.063 1.00 0.00 C ATOM 1454 CG ASP A 91 1.853 13.467 -6.312 1.00 0.00 C ATOM 1455 OD1 ASP A 91 1.970 13.514 -5.070 1.00 0.00 O ATOM 1456 OD2 ASP A 91 1.924 12.406 -6.967 1.00 0.00 O ATOM 0 HA ASP A 91 -0.504 14.986 -6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 91 1.463 14.543 -8.120 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.502 15.390 -6.991 1.00 0.00 H new ATOM 1461 N VAL A 92 -0.045 14.655 -4.312 1.00 0.00 N ATOM 1462 CA VAL A 92 -0.027 14.647 -2.854 1.00 0.00 C ATOM 1463 C VAL A 92 0.473 13.311 -2.317 1.00 0.00 C ATOM 1464 O VAL A 92 1.054 13.243 -1.234 1.00 0.00 O ATOM 1465 CB VAL A 92 -1.426 14.929 -2.275 1.00 0.00 C ATOM 1466 CG1 VAL A 92 -1.891 16.326 -2.657 1.00 0.00 C ATOM 1467 CG2 VAL A 92 -2.421 13.880 -2.749 1.00 0.00 C ATOM 0 H VAL A 92 -0.498 13.844 -4.733 1.00 0.00 H new ATOM 0 HA VAL A 92 0.655 15.438 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.367 14.876 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.881 16.507 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.191 17.063 -2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.935 16.411 -3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.404 14.095 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.478 13.899 -3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.094 12.894 -2.420 1.00 0.00 H new ATOM 1477 N PHE A 93 0.244 12.249 -3.083 1.00 0.00 N ATOM 1478 CA PHE A 93 0.670 10.913 -2.684 1.00 0.00 C ATOM 1479 C PHE A 93 2.193 10.813 -2.660 1.00 0.00 C ATOM 1480 O PHE A 93 2.770 10.175 -1.779 1.00 0.00 O ATOM 1481 CB PHE A 93 0.095 9.864 -3.639 1.00 0.00 C ATOM 1482 CG PHE A 93 -1.406 9.860 -3.689 1.00 0.00 C ATOM 1483 CD1 PHE A 93 -2.085 10.684 -4.573 1.00 0.00 C ATOM 1484 CD2 PHE A 93 -2.139 9.032 -2.854 1.00 0.00 C ATOM 1485 CE1 PHE A 93 -3.467 10.682 -4.621 1.00 0.00 C ATOM 1486 CE2 PHE A 93 -3.520 9.025 -2.898 1.00 0.00 C ATOM 1487 CZ PHE A 93 -4.185 9.851 -3.783 1.00 0.00 C ATOM 0 H PHE A 93 -0.234 12.288 -3.983 1.00 0.00 H new ATOM 0 HA PHE A 93 0.294 10.724 -1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.484 10.044 -4.641 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.443 8.877 -3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.529 11.335 -5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.624 8.384 -2.160 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.985 11.330 -5.313 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -4.079 8.375 -2.241 1.00 0.00 H new ATOM 0 HZ PHE A 93 -5.264 9.847 -3.820 1.00 0.00 H new ATOM 1497 N ALA A 94 2.837 11.448 -3.633 1.00 0.00 N ATOM 1498 CA ALA A 94 4.292 11.432 -3.723 1.00 0.00 C ATOM 1499 C ALA A 94 4.927 11.956 -2.440 1.00 0.00 C ATOM 1500 O ALA A 94 5.724 11.278 -1.791 1.00 0.00 O ATOM 1501 CB ALA A 94 4.756 12.254 -4.917 1.00 0.00 C ATOM 0 H ALA A 94 2.374 11.980 -4.370 1.00 0.00 H new ATOM 0 HA ALA A 94 4.611 10.399 -3.860 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.844 12.233 -4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.338 11.834 -5.832 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.418 13.284 -4.803 1.00 0.00 H new ATOM 1507 N PRO A 95 4.568 13.193 -2.063 1.00 0.00 N ATOM 1508 CA PRO A 95 5.092 13.835 -0.853 1.00 0.00 C ATOM 1509 C PRO A 95 4.564 13.187 0.422 1.00 0.00 C ATOM 1510 O PRO A 95 5.262 13.128 1.434 1.00 0.00 O ATOM 1511 CB PRO A 95 4.588 15.275 -0.970 1.00 0.00 C ATOM 1512 CG PRO A 95 3.369 15.182 -1.822 1.00 0.00 C ATOM 1513 CD PRO A 95 3.624 14.059 -2.788 1.00 0.00 C ATOM 0 HA PRO A 95 6.177 13.753 -0.785 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.356 15.694 0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.339 15.922 -1.423 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.484 14.983 -1.217 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.190 16.118 -2.351 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.705 13.529 -3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 95 4.049 14.422 -3.723 1.00 0.00 H new ATOM 1521 N ARG A 96 3.328 12.702 0.366 1.00 0.00 N ATOM 1522 CA ARG A 96 2.706 12.059 1.517 1.00 0.00 C ATOM 1523 C ARG A 96 3.313 10.681 1.764 1.00 0.00 C ATOM 1524 O ARG A 96 3.428 10.237 2.906 1.00 0.00 O ATOM 1525 CB ARG A 96 1.197 11.933 1.304 1.00 0.00 C ATOM 1526 CG ARG A 96 0.428 11.602 2.574 1.00 0.00 C ATOM 1527 CD ARG A 96 0.237 12.833 3.446 1.00 0.00 C ATOM 1528 NE ARG A 96 -0.886 12.683 4.367 1.00 0.00 N ATOM 1529 CZ ARG A 96 -1.370 13.676 5.104 1.00 0.00 C ATOM 1530 NH1 ARG A 96 -0.832 14.886 5.028 1.00 0.00 N ATOM 1531 NH2 ARG A 96 -2.395 13.461 5.919 1.00 0.00 N ATOM 0 H ARG A 96 2.737 12.742 -0.465 1.00 0.00 H new ATOM 0 HA ARG A 96 2.891 12.681 2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.817 12.868 0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.007 11.158 0.562 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.545 11.185 2.313 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.963 10.836 3.136 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.149 13.020 4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.072 13.704 2.812 1.00 0.00 H new ATOM 0 HE ARG A 96 -1.323 11.765 4.449 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.045 15.056 4.402 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.206 15.647 5.595 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.812 12.532 5.980 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.766 14.225 6.485 1.00 0.00 H new ATOM 1545 N PHE A 97 3.699 10.009 0.684 1.00 0.00 N ATOM 1546 CA PHE A 97 4.293 8.680 0.783 1.00 0.00 C ATOM 1547 C PHE A 97 5.727 8.762 1.296 1.00 0.00 C ATOM 1548 O PHE A 97 6.164 7.927 2.088 1.00 0.00 O ATOM 1549 CB PHE A 97 4.266 7.984 -0.579 1.00 0.00 C ATOM 1550 CG PHE A 97 2.999 7.220 -0.837 1.00 0.00 C ATOM 1551 CD1 PHE A 97 2.541 6.284 0.077 1.00 0.00 C ATOM 1552 CD2 PHE A 97 2.266 7.437 -1.992 1.00 0.00 C ATOM 1553 CE1 PHE A 97 1.376 5.578 -0.158 1.00 0.00 C ATOM 1554 CE2 PHE A 97 1.099 6.735 -2.232 1.00 0.00 C ATOM 1555 CZ PHE A 97 0.654 5.805 -1.313 1.00 0.00 C ATOM 0 H PHE A 97 3.611 10.362 -0.269 1.00 0.00 H new ATOM 0 HA PHE A 97 3.705 8.098 1.493 1.00 0.00 H new ATOM 0 HB2 PHE A 97 4.396 8.731 -1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 97 5.113 7.301 -0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.101 6.104 0.983 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.610 8.163 -2.714 1.00 0.00 H new ATOM 0 HE1 PHE A 97 1.031 4.850 0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.537 6.914 -3.136 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.258 5.256 -1.497 1.00 0.00 H new ATOM 1565 N SER A 98 6.456 9.776 0.839 1.00 0.00 N ATOM 1566 CA SER A 98 7.843 9.966 1.248 1.00 0.00 C ATOM 1567 C SER A 98 7.942 10.165 2.758 1.00 0.00 C ATOM 1568 O SER A 98 8.986 9.921 3.360 1.00 0.00 O ATOM 1569 CB SER A 98 8.451 11.168 0.523 1.00 0.00 C ATOM 1570 OG SER A 98 8.072 12.384 1.144 1.00 0.00 O ATOM 0 H SER A 98 6.109 10.478 0.186 1.00 0.00 H new ATOM 0 HA SER A 98 8.401 9.069 0.980 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.538 11.082 0.518 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.127 11.171 -0.518 1.00 0.00 H new ATOM 0 HG SER A 98 7.095 12.459 1.147 1.00 0.00 H new ATOM 1576 N ASN A 99 6.845 10.611 3.362 1.00 0.00 N ATOM 1577 CA ASN A 99 6.808 10.845 4.801 1.00 0.00 C ATOM 1578 C ASN A 99 7.306 9.621 5.564 1.00 0.00 C ATOM 1579 O ASN A 99 8.323 9.680 6.255 1.00 0.00 O ATOM 1580 CB ASN A 99 5.385 11.192 5.246 1.00 0.00 C ATOM 1581 CG ASN A 99 4.913 12.520 4.687 1.00 0.00 C ATOM 1582 OD1 ASN A 99 5.720 13.387 4.352 1.00 0.00 O ATOM 1583 ND2 ASN A 99 3.599 12.685 4.584 1.00 0.00 N ATOM 0 H ASN A 99 5.971 10.817 2.878 1.00 0.00 H new ATOM 0 HA ASN A 99 7.467 11.684 5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 99 4.704 10.403 4.925 1.00 0.00 H new ATOM 0 HB3 ASN A 99 5.345 11.224 6.335 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.222 13.558 4.215 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.967 11.939 4.874 1.00 0.00 H new ATOM 1590 N ASN A 100 6.583 8.514 5.433 1.00 0.00 N ATOM 1591 CA ASN A 100 6.952 7.275 6.110 1.00 0.00 C ATOM 1592 C ASN A 100 7.336 6.198 5.101 1.00 0.00 C ATOM 1593 O ASN A 100 7.427 5.018 5.442 1.00 0.00 O ATOM 1594 CB ASN A 100 5.796 6.783 6.983 1.00 0.00 C ATOM 1595 CG ASN A 100 4.443 7.205 6.443 1.00 0.00 C ATOM 1596 OD1 ASN A 100 4.204 6.928 5.167 1.00 0.00 O flip ATOM 1597 ND2 ASN A 100 3.624 7.773 7.166 1.00 0.00 N flip ATOM 0 H ASN A 100 5.738 8.449 4.865 1.00 0.00 H new ATOM 0 HA ASN A 100 7.815 7.479 6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.834 5.696 7.052 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.918 7.171 7.994 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.852 7.965 8.141 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.718 8.051 6.789 1.00 0.00 H new ATOM 1604 N ILE A 101 7.561 6.611 3.858 1.00 0.00 N ATOM 1605 CA ILE A 101 7.937 5.682 2.801 1.00 0.00 C ATOM 1606 C ILE A 101 8.809 4.554 3.344 1.00 0.00 C ATOM 1607 O ILE A 101 8.595 3.384 3.028 1.00 0.00 O ATOM 1608 CB ILE A 101 8.692 6.397 1.665 1.00 0.00 C ATOM 1609 CG1 ILE A 101 9.060 5.402 0.562 1.00 0.00 C ATOM 1610 CG2 ILE A 101 9.938 7.081 2.205 1.00 0.00 C ATOM 1611 CD1 ILE A 101 8.005 5.276 -0.515 1.00 0.00 C ATOM 0 H ILE A 101 7.489 7.584 3.559 1.00 0.00 H new ATOM 0 HA ILE A 101 7.011 5.264 2.405 1.00 0.00 H new ATOM 0 HB ILE A 101 8.039 7.159 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 101 10.000 5.711 0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.230 4.423 1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.460 7.582 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 101 9.652 7.815 2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 101 10.596 6.337 2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.333 4.554 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.069 4.937 -0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.851 6.245 -0.989 1.00 0.00 H new ATOM 1623 N ILE A 102 9.790 4.915 4.163 1.00 0.00 N ATOM 1624 CA ILE A 102 10.692 3.934 4.753 1.00 0.00 C ATOM 1625 C ILE A 102 9.917 2.856 5.503 1.00 0.00 C ATOM 1626 O ILE A 102 9.995 1.674 5.168 1.00 0.00 O ATOM 1627 CB ILE A 102 11.693 4.597 5.717 1.00 0.00 C ATOM 1628 CG1 ILE A 102 12.494 5.680 4.991 1.00 0.00 C ATOM 1629 CG2 ILE A 102 12.625 3.552 6.314 1.00 0.00 C ATOM 1630 CD1 ILE A 102 13.421 5.135 3.928 1.00 0.00 C ATOM 0 H ILE A 102 9.981 5.880 4.433 1.00 0.00 H new ATOM 0 HA ILE A 102 11.242 3.476 3.931 1.00 0.00 H new ATOM 0 HB ILE A 102 11.137 5.066 6.529 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.802 6.386 4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.080 6.238 5.721 1.00 0.00 H new ATOM 0 HG21 ILE A 102 13.327 4.036 6.993 1.00 0.00 H new ATOM 0 HG22 ILE A 102 12.040 2.813 6.862 1.00 0.00 H new ATOM 0 HG23 ILE A 102 13.177 3.057 5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 102 13.956 5.958 3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.137 4.452 4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 102 12.839 4.601 3.176 1.00 0.00 H new ATOM 1642 N SER A 103 9.169 3.273 6.520 1.00 0.00 N ATOM 1643 CA SER A 103 8.380 2.343 7.320 1.00 0.00 C ATOM 1644 C SER A 103 7.447 1.521 6.436 1.00 0.00 C ATOM 1645 O SER A 103 7.254 0.326 6.658 1.00 0.00 O ATOM 1646 CB SER A 103 7.568 3.103 8.370 1.00 0.00 C ATOM 1647 OG SER A 103 7.229 2.262 9.460 1.00 0.00 O ATOM 0 H SER A 103 9.093 4.248 6.809 1.00 0.00 H new ATOM 0 HA SER A 103 9.067 1.663 7.824 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.142 3.957 8.730 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.660 3.498 7.916 1.00 0.00 H new ATOM 0 HG SER A 103 6.712 2.772 10.118 1.00 0.00 H new ATOM 1653 N THR A 104 6.869 2.172 5.431 1.00 0.00 N ATOM 1654 CA THR A 104 5.955 1.504 4.513 1.00 0.00 C ATOM 1655 C THR A 104 6.661 0.391 3.747 1.00 0.00 C ATOM 1656 O THR A 104 6.158 -0.729 3.657 1.00 0.00 O ATOM 1657 CB THR A 104 5.345 2.497 3.506 1.00 0.00 C ATOM 1658 OG1 THR A 104 4.483 3.417 4.186 1.00 0.00 O ATOM 1659 CG2 THR A 104 4.561 1.762 2.428 1.00 0.00 C ATOM 0 H THR A 104 7.018 3.161 5.232 1.00 0.00 H new ATOM 0 HA THR A 104 5.157 1.075 5.119 1.00 0.00 H new ATOM 0 HB THR A 104 6.159 3.045 3.031 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.356 4.216 3.633 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.140 2.484 1.728 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.226 1.084 1.893 1.00 0.00 H new ATOM 0 HG23 THR A 104 3.755 1.191 2.889 1.00 0.00 H new ATOM 1667 N PHE A 105 7.829 0.705 3.198 1.00 0.00 N ATOM 1668 CA PHE A 105 8.605 -0.269 2.439 1.00 0.00 C ATOM 1669 C PHE A 105 9.066 -1.414 3.336 1.00 0.00 C ATOM 1670 O PHE A 105 9.080 -2.573 2.923 1.00 0.00 O ATOM 1671 CB PHE A 105 9.815 0.405 1.789 1.00 0.00 C ATOM 1672 CG PHE A 105 9.539 0.932 0.410 1.00 0.00 C ATOM 1673 CD1 PHE A 105 8.491 1.811 0.187 1.00 0.00 C ATOM 1674 CD2 PHE A 105 10.327 0.548 -0.663 1.00 0.00 C ATOM 1675 CE1 PHE A 105 8.235 2.298 -1.081 1.00 0.00 C ATOM 1676 CE2 PHE A 105 10.075 1.032 -1.933 1.00 0.00 C ATOM 1677 CZ PHE A 105 9.027 1.907 -2.142 1.00 0.00 C ATOM 0 H PHE A 105 8.260 1.627 3.264 1.00 0.00 H new ATOM 0 HA PHE A 105 7.964 -0.678 1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 105 10.147 1.227 2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.636 -0.311 1.738 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.867 2.119 1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 105 11.147 -0.137 -0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 105 7.416 2.984 -1.242 1.00 0.00 H new ATOM 0 HE2 PHE A 105 10.697 0.726 -2.761 1.00 0.00 H new ATOM 0 HZ PHE A 105 8.827 2.285 -3.134 1.00 0.00 H new ATOM 1687 N GLN A 106 9.445 -1.079 4.566 1.00 0.00 N ATOM 1688 CA GLN A 106 9.909 -2.078 5.521 1.00 0.00 C ATOM 1689 C GLN A 106 8.950 -3.262 5.578 1.00 0.00 C ATOM 1690 O GLN A 106 9.371 -4.417 5.538 1.00 0.00 O ATOM 1691 CB GLN A 106 10.055 -1.457 6.911 1.00 0.00 C ATOM 1692 CG GLN A 106 11.213 -0.479 7.022 1.00 0.00 C ATOM 1693 CD GLN A 106 12.553 -1.175 7.164 1.00 0.00 C ATOM 1694 OE1 GLN A 106 12.631 -2.301 7.657 1.00 0.00 O ATOM 1695 NE2 GLN A 106 13.616 -0.508 6.732 1.00 0.00 N ATOM 0 H GLN A 106 9.440 -0.124 4.924 1.00 0.00 H new ATOM 0 HA GLN A 106 10.883 -2.438 5.188 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.130 -0.942 7.169 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.191 -2.253 7.643 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.231 0.159 6.138 1.00 0.00 H new ATOM 0 HG3 GLN A 106 11.053 0.172 7.882 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.505 0.423 6.330 1.00 0.00 H new ATOM 0 HE22 GLN A 106 14.544 -0.926 6.802 1.00 0.00 H new ATOM 1704 N ASN A 107 7.657 -2.967 5.674 1.00 0.00 N ATOM 1705 CA ASN A 107 6.638 -4.008 5.738 1.00 0.00 C ATOM 1706 C ASN A 107 6.569 -4.784 4.426 1.00 0.00 C ATOM 1707 O ASN A 107 6.032 -5.891 4.374 1.00 0.00 O ATOM 1708 CB ASN A 107 5.272 -3.395 6.053 1.00 0.00 C ATOM 1709 CG ASN A 107 5.305 -2.514 7.287 1.00 0.00 C ATOM 1710 OD1 ASN A 107 6.257 -2.552 8.065 1.00 0.00 O ATOM 1711 ND2 ASN A 107 4.261 -1.714 7.470 1.00 0.00 N ATOM 0 H ASN A 107 7.291 -2.016 5.709 1.00 0.00 H new ATOM 0 HA ASN A 107 6.911 -4.700 6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 107 4.935 -2.807 5.199 1.00 0.00 H new ATOM 0 HB3 ASN A 107 4.544 -4.193 6.199 1.00 0.00 H new ATOM 0 HD21 ASN A 107 4.227 -1.098 8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 107 3.493 -1.716 6.798 1.00 0.00 H new ATOM 1718 N LEU A 108 7.116 -4.196 3.368 1.00 0.00 N ATOM 1719 CA LEU A 108 7.118 -4.831 2.055 1.00 0.00 C ATOM 1720 C LEU A 108 8.393 -5.642 1.844 1.00 0.00 C ATOM 1721 O LEU A 108 8.389 -6.651 1.139 1.00 0.00 O ATOM 1722 CB LEU A 108 6.984 -3.776 0.956 1.00 0.00 C ATOM 1723 CG LEU A 108 5.769 -2.854 1.055 1.00 0.00 C ATOM 1724 CD1 LEU A 108 5.965 -1.616 0.193 1.00 0.00 C ATOM 1725 CD2 LEU A 108 4.503 -3.594 0.649 1.00 0.00 C ATOM 0 H LEU A 108 7.564 -3.280 3.394 1.00 0.00 H new ATOM 0 HA LEU A 108 6.266 -5.509 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.883 -3.160 0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.951 -4.286 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 108 5.663 -2.536 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.090 -0.972 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.848 -1.074 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.098 -1.914 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.648 -2.922 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.599 -3.943 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 108 4.353 -4.448 1.309 1.00 0.00 H new ATOM 1737 N TYR A 109 9.481 -5.195 2.462 1.00 0.00 N ATOM 1738 CA TYR A 109 10.763 -5.879 2.342 1.00 0.00 C ATOM 1739 C TYR A 109 10.803 -7.121 3.227 1.00 0.00 C ATOM 1740 O TYR A 109 11.762 -7.892 3.191 1.00 0.00 O ATOM 1741 CB TYR A 109 11.906 -4.934 2.718 1.00 0.00 C ATOM 1742 CG TYR A 109 12.236 -3.924 1.643 1.00 0.00 C ATOM 1743 CD1 TYR A 109 12.393 -4.315 0.319 1.00 0.00 C ATOM 1744 CD2 TYR A 109 12.389 -2.578 1.951 1.00 0.00 C ATOM 1745 CE1 TYR A 109 12.695 -3.396 -0.667 1.00 0.00 C ATOM 1746 CE2 TYR A 109 12.690 -1.651 0.971 1.00 0.00 C ATOM 1747 CZ TYR A 109 12.842 -2.065 -0.336 1.00 0.00 C ATOM 1748 OH TYR A 109 13.142 -1.145 -1.315 1.00 0.00 O ATOM 0 H TYR A 109 9.501 -4.362 3.051 1.00 0.00 H new ATOM 0 HA TYR A 109 10.884 -6.191 1.305 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.642 -4.404 3.633 1.00 0.00 H new ATOM 0 HB3 TYR A 109 12.796 -5.523 2.936 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.277 -5.356 0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.271 -2.250 2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.815 -3.718 -1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 109 12.806 -0.608 1.227 1.00 0.00 H new ATOM 0 HH TYR A 109 14.099 -0.937 -1.286 1.00 0.00 H new ATOM 1758 N ARG A 110 9.753 -7.308 4.020 1.00 0.00 N ATOM 1759 CA ARG A 110 9.667 -8.456 4.915 1.00 0.00 C ATOM 1760 C ARG A 110 9.500 -9.751 4.124 1.00 0.00 C ATOM 1761 O ARG A 110 9.820 -10.834 4.615 1.00 0.00 O ATOM 1762 CB ARG A 110 8.497 -8.285 5.886 1.00 0.00 C ATOM 1763 CG ARG A 110 8.347 -6.868 6.415 1.00 0.00 C ATOM 1764 CD ARG A 110 7.349 -6.805 7.561 1.00 0.00 C ATOM 1765 NE ARG A 110 7.562 -7.875 8.532 1.00 0.00 N ATOM 1766 CZ ARG A 110 7.000 -9.075 8.437 1.00 0.00 C ATOM 1767 NH1 ARG A 110 6.197 -9.356 7.421 1.00 0.00 N ATOM 1768 NH2 ARG A 110 7.243 -9.997 9.361 1.00 0.00 N ATOM 0 H ARG A 110 8.950 -6.680 4.061 1.00 0.00 H new ATOM 0 HA ARG A 110 10.596 -8.514 5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 110 7.574 -8.576 5.384 1.00 0.00 H new ATOM 0 HB3 ARG A 110 8.631 -8.965 6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 110 9.316 -6.500 6.754 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.020 -6.210 5.610 1.00 0.00 H new ATOM 0 HD2 ARG A 110 7.432 -5.840 8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 110 6.336 -6.872 7.164 1.00 0.00 H new ATOM 0 HE ARG A 110 8.175 -7.691 9.326 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.009 -8.650 6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.767 -10.278 7.351 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.861 -9.784 10.144 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.811 -10.918 9.288 1.00 0.00 H new ATOM 1782 N CYS A 111 8.999 -9.630 2.900 1.00 0.00 N ATOM 1783 CA CYS A 111 8.789 -10.790 2.042 1.00 0.00 C ATOM 1784 C CYS A 111 9.945 -11.777 2.169 1.00 0.00 C ATOM 1785 O CYS A 111 11.057 -11.420 2.558 1.00 0.00 O ATOM 1786 CB CYS A 111 8.634 -10.352 0.585 1.00 0.00 C ATOM 1787 SG CYS A 111 10.007 -9.353 -0.035 1.00 0.00 S ATOM 0 H CYS A 111 8.731 -8.740 2.479 1.00 0.00 H new ATOM 0 HA CYS A 111 7.874 -11.287 2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 111 8.532 -11.239 -0.041 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.710 -9.783 0.484 1.00 0.00 H new ATOM 0 HG CYS A 111 9.784 -8.099 0.225 1.00 0.00 H new ATOM 1793 N PRO A 112 9.678 -13.048 1.834 1.00 0.00 N ATOM 1794 CA PRO A 112 10.683 -14.113 1.904 1.00 0.00 C ATOM 1795 C PRO A 112 12.001 -13.709 1.250 1.00 0.00 C ATOM 1796 O PRO A 112 13.036 -14.331 1.483 1.00 0.00 O ATOM 1797 CB PRO A 112 10.034 -15.264 1.132 1.00 0.00 C ATOM 1798 CG PRO A 112 8.569 -15.025 1.256 1.00 0.00 C ATOM 1799 CD PRO A 112 8.374 -13.544 1.362 1.00 0.00 C ATOM 0 HA PRO A 112 10.941 -14.364 2.933 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.348 -15.267 0.088 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.314 -16.230 1.552 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.039 -15.423 0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 112 8.169 -15.530 2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 112 8.104 -13.107 0.401 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.575 -13.295 2.061 1.00 0.00 H new ATOM 1807 N GLY A 113 11.954 -12.663 0.431 1.00 0.00 N ATOM 1808 CA GLY A 113 13.151 -12.194 -0.243 1.00 0.00 C ATOM 1809 C GLY A 113 13.078 -12.374 -1.746 1.00 0.00 C ATOM 1810 O GLY A 113 13.555 -11.529 -2.503 1.00 0.00 O ATOM 0 H GLY A 113 11.109 -12.132 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 113 13.304 -11.139 -0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 113 14.016 -12.733 0.143 1.00 0.00 H new ATOM 1814 N ASP A 114 12.480 -13.478 -2.180 1.00 0.00 N ATOM 1815 CA ASP A 114 12.347 -13.767 -3.603 1.00 0.00 C ATOM 1816 C ASP A 114 11.355 -12.812 -4.260 1.00 0.00 C ATOM 1817 O ASP A 114 11.116 -12.882 -5.466 1.00 0.00 O ATOM 1818 CB ASP A 114 11.895 -15.213 -3.812 1.00 0.00 C ATOM 1819 CG ASP A 114 12.272 -15.745 -5.181 1.00 0.00 C ATOM 1820 OD1 ASP A 114 11.830 -15.155 -6.189 1.00 0.00 O ATOM 1821 OD2 ASP A 114 13.008 -16.752 -5.244 1.00 0.00 O ATOM 0 H ASP A 114 12.080 -14.188 -1.567 1.00 0.00 H new ATOM 0 HA ASP A 114 13.322 -13.628 -4.069 1.00 0.00 H new ATOM 0 HB2 ASP A 114 12.342 -15.845 -3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 114 10.814 -15.275 -3.686 1.00 0.00 H new ATOM 1826 N ASP A 115 10.780 -11.921 -3.460 1.00 0.00 N ATOM 1827 CA ASP A 115 9.814 -10.952 -3.964 1.00 0.00 C ATOM 1828 C ASP A 115 10.364 -9.532 -3.859 1.00 0.00 C ATOM 1829 O ASP A 115 9.691 -8.566 -4.221 1.00 0.00 O ATOM 1830 CB ASP A 115 8.499 -11.061 -3.191 1.00 0.00 C ATOM 1831 CG ASP A 115 8.190 -12.485 -2.774 1.00 0.00 C ATOM 1832 OD1 ASP A 115 8.580 -13.417 -3.508 1.00 0.00 O ATOM 1833 OD2 ASP A 115 7.558 -12.668 -1.712 1.00 0.00 O ATOM 0 H ASP A 115 10.966 -11.850 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 115 9.628 -11.174 -5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 115 8.548 -10.428 -2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 115 7.685 -10.681 -3.809 1.00 0.00 H new ATOM 1838 N LYS A 116 11.590 -9.413 -3.361 1.00 0.00 N ATOM 1839 CA LYS A 116 12.231 -8.113 -3.208 1.00 0.00 C ATOM 1840 C LYS A 116 12.508 -7.479 -4.567 1.00 0.00 C ATOM 1841 O LYS A 116 12.380 -6.267 -4.735 1.00 0.00 O ATOM 1842 CB LYS A 116 13.537 -8.254 -2.424 1.00 0.00 C ATOM 1843 CG LYS A 116 13.362 -8.122 -0.921 1.00 0.00 C ATOM 1844 CD LYS A 116 14.644 -8.460 -0.178 1.00 0.00 C ATOM 1845 CE LYS A 116 14.462 -8.348 1.328 1.00 0.00 C ATOM 1846 NZ LYS A 116 15.584 -8.986 2.071 1.00 0.00 N ATOM 0 H LYS A 116 12.160 -10.202 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 116 11.551 -7.464 -2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.981 -9.224 -2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 116 14.241 -7.496 -2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 116 13.057 -7.104 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.562 -8.783 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.958 -9.472 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.440 -7.789 -0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 116 14.392 -7.297 1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.522 -8.818 1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 15.423 -8.888 3.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 15.635 -9.995 1.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.478 -8.521 1.816 1.00 0.00 H new ATOM 1860 N SER A 117 12.886 -8.308 -5.535 1.00 0.00 N ATOM 1861 CA SER A 117 13.183 -7.828 -6.880 1.00 0.00 C ATOM 1862 C SER A 117 12.043 -6.966 -7.413 1.00 0.00 C ATOM 1863 O SER A 117 12.269 -5.988 -8.125 1.00 0.00 O ATOM 1864 CB SER A 117 13.430 -9.008 -7.822 1.00 0.00 C ATOM 1865 OG SER A 117 13.868 -8.562 -9.094 1.00 0.00 O ATOM 0 H SER A 117 12.994 -9.315 -5.413 1.00 0.00 H new ATOM 0 HA SER A 117 14.084 -7.217 -6.831 1.00 0.00 H new ATOM 0 HB2 SER A 117 14.177 -9.673 -7.389 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.513 -9.588 -7.932 1.00 0.00 H new ATOM 0 HG SER A 117 14.020 -9.335 -9.677 1.00 0.00 H new ATOM 1871 N LYS A 118 10.816 -7.338 -7.064 1.00 0.00 N ATOM 1872 CA LYS A 118 9.638 -6.600 -7.505 1.00 0.00 C ATOM 1873 C LYS A 118 9.524 -5.268 -6.771 1.00 0.00 C ATOM 1874 O LYS A 118 8.867 -4.341 -7.246 1.00 0.00 O ATOM 1875 CB LYS A 118 8.374 -7.432 -7.275 1.00 0.00 C ATOM 1876 CG LYS A 118 8.191 -8.552 -8.285 1.00 0.00 C ATOM 1877 CD LYS A 118 8.855 -9.837 -7.819 1.00 0.00 C ATOM 1878 CE LYS A 118 8.569 -10.989 -8.770 1.00 0.00 C ATOM 1879 NZ LYS A 118 9.404 -12.182 -8.462 1.00 0.00 N ATOM 0 H LYS A 118 10.611 -8.147 -6.477 1.00 0.00 H new ATOM 0 HA LYS A 118 9.744 -6.399 -8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 118 8.408 -7.860 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.505 -6.775 -7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 118 7.127 -8.728 -8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.612 -8.251 -9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.932 -9.685 -7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.498 -10.091 -6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 118 7.515 -11.258 -8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 118 8.757 -10.669 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 9.180 -12.945 -9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 10.410 -11.933 -8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 9.207 -12.503 -7.493 1.00 0.00 H new ATOM 1893 N ILE A 119 10.167 -5.180 -5.612 1.00 0.00 N ATOM 1894 CA ILE A 119 10.139 -3.960 -4.814 1.00 0.00 C ATOM 1895 C ILE A 119 11.284 -3.028 -5.194 1.00 0.00 C ATOM 1896 O ILE A 119 11.131 -1.807 -5.194 1.00 0.00 O ATOM 1897 CB ILE A 119 10.223 -4.271 -3.308 1.00 0.00 C ATOM 1898 CG1 ILE A 119 9.196 -5.340 -2.927 1.00 0.00 C ATOM 1899 CG2 ILE A 119 10.004 -3.005 -2.493 1.00 0.00 C ATOM 1900 CD1 ILE A 119 9.443 -5.958 -1.569 1.00 0.00 C ATOM 0 H ILE A 119 10.714 -5.938 -5.204 1.00 0.00 H new ATOM 0 HA ILE A 119 9.189 -3.468 -5.023 1.00 0.00 H new ATOM 0 HB ILE A 119 11.219 -4.655 -3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.200 -4.897 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 119 9.205 -6.126 -3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.066 -3.241 -1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 119 10.769 -2.272 -2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.019 -2.594 -2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.677 -6.707 -1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 119 10.425 -6.431 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.405 -5.182 -0.804 1.00 0.00 H new ATOM 1912 N VAL A 120 12.433 -3.613 -5.520 1.00 0.00 N ATOM 1913 CA VAL A 120 13.604 -2.835 -5.905 1.00 0.00 C ATOM 1914 C VAL A 120 13.466 -2.302 -7.327 1.00 0.00 C ATOM 1915 O VAL A 120 13.983 -1.233 -7.652 1.00 0.00 O ATOM 1916 CB VAL A 120 14.892 -3.674 -5.806 1.00 0.00 C ATOM 1917 CG1 VAL A 120 14.936 -4.432 -4.488 1.00 0.00 C ATOM 1918 CG2 VAL A 120 14.996 -4.631 -6.984 1.00 0.00 C ATOM 0 H VAL A 120 12.577 -4.623 -5.525 1.00 0.00 H new ATOM 0 HA VAL A 120 13.670 -1.997 -5.211 1.00 0.00 H new ATOM 0 HB VAL A 120 15.747 -2.999 -5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 120 15.853 -5.019 -4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 120 14.911 -3.724 -3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 120 14.075 -5.097 -4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 120 15.912 -5.216 -6.898 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.136 -5.301 -6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 120 15.014 -4.063 -7.914 1.00 0.00 H new ATOM 1928 N ARG A 121 12.766 -3.054 -8.169 1.00 0.00 N ATOM 1929 CA ARG A 121 12.560 -2.657 -9.557 1.00 0.00 C ATOM 1930 C ARG A 121 11.711 -1.392 -9.641 1.00 0.00 C ATOM 1931 O ARG A 121 11.893 -0.567 -10.537 1.00 0.00 O ATOM 1932 CB ARG A 121 11.888 -3.787 -10.339 1.00 0.00 C ATOM 1933 CG ARG A 121 10.438 -4.019 -9.949 1.00 0.00 C ATOM 1934 CD ARG A 121 9.689 -4.792 -11.024 1.00 0.00 C ATOM 1935 NE ARG A 121 9.751 -6.235 -10.804 1.00 0.00 N ATOM 1936 CZ ARG A 121 10.775 -6.992 -11.181 1.00 0.00 C ATOM 1937 NH1 ARG A 121 11.817 -6.447 -11.794 1.00 0.00 N ATOM 1938 NH2 ARG A 121 10.758 -8.298 -10.946 1.00 0.00 N ATOM 0 H ARG A 121 12.332 -3.941 -7.915 1.00 0.00 H new ATOM 0 HA ARG A 121 13.535 -2.449 -9.997 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.937 -3.560 -11.404 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.449 -4.709 -10.184 1.00 0.00 H new ATOM 0 HG2 ARG A 121 10.396 -4.568 -9.008 1.00 0.00 H new ATOM 0 HG3 ARG A 121 9.948 -3.060 -9.780 1.00 0.00 H new ATOM 0 HD2 ARG A 121 8.647 -4.472 -11.041 1.00 0.00 H new ATOM 0 HD3 ARG A 121 10.111 -4.556 -12.001 1.00 0.00 H new ATOM 0 HE ARG A 121 8.965 -6.686 -10.335 1.00 0.00 H new ATOM 0 HH11 ARG A 121 11.834 -5.444 -11.977 1.00 0.00 H new ATOM 0 HH12 ARG A 121 12.602 -7.031 -12.082 1.00 0.00 H new ATOM 0 HH21 ARG A 121 9.958 -8.721 -10.476 1.00 0.00 H new ATOM 0 HH22 ARG A 121 11.545 -8.879 -11.236 1.00 0.00 H new ATOM 1952 N VAL A 122 10.782 -1.245 -8.701 1.00 0.00 N ATOM 1953 CA VAL A 122 9.905 -0.081 -8.668 1.00 0.00 C ATOM 1954 C VAL A 122 10.690 1.190 -8.365 1.00 0.00 C ATOM 1955 O VAL A 122 10.422 2.249 -8.935 1.00 0.00 O ATOM 1956 CB VAL A 122 8.792 -0.247 -7.615 1.00 0.00 C ATOM 1957 CG1 VAL A 122 7.765 0.867 -7.745 1.00 0.00 C ATOM 1958 CG2 VAL A 122 8.132 -1.610 -7.748 1.00 0.00 C ATOM 0 H VAL A 122 10.618 -1.918 -7.952 1.00 0.00 H new ATOM 0 HA VAL A 122 9.452 0.002 -9.656 1.00 0.00 H new ATOM 0 HB VAL A 122 9.240 -0.182 -6.624 1.00 0.00 H new ATOM 0 HG11 VAL A 122 6.987 0.734 -6.994 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.252 1.830 -7.596 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.319 0.836 -8.739 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.349 -1.710 -6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.696 -1.708 -8.742 1.00 0.00 H new ATOM 0 HG23 VAL A 122 8.878 -2.391 -7.601 1.00 0.00 H new ATOM 1968 N LEU A 123 11.661 1.079 -7.466 1.00 0.00 N ATOM 1969 CA LEU A 123 12.488 2.220 -7.088 1.00 0.00 C ATOM 1970 C LEU A 123 13.267 2.750 -8.287 1.00 0.00 C ATOM 1971 O LEU A 123 13.283 3.952 -8.548 1.00 0.00 O ATOM 1972 CB LEU A 123 13.455 1.826 -5.970 1.00 0.00 C ATOM 1973 CG LEU A 123 12.818 1.457 -4.630 1.00 0.00 C ATOM 1974 CD1 LEU A 123 13.884 1.038 -3.629 1.00 0.00 C ATOM 1975 CD2 LEU A 123 12.003 2.622 -4.088 1.00 0.00 C ATOM 0 H LEU A 123 11.895 0.211 -6.985 1.00 0.00 H new ATOM 0 HA LEU A 123 11.830 3.011 -6.729 1.00 0.00 H new ATOM 0 HB2 LEU A 123 14.049 0.979 -6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.145 2.653 -5.806 1.00 0.00 H new ATOM 0 HG LEU A 123 12.147 0.613 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 123 13.412 0.779 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 123 14.424 0.173 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 123 14.581 1.861 -3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 123 11.557 2.341 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 123 12.653 3.485 -3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 123 11.214 2.875 -4.797 1.00 0.00 H new ATOM 1987 N ASN A 124 13.911 1.843 -9.015 1.00 0.00 N ATOM 1988 CA ASN A 124 14.692 2.219 -10.188 1.00 0.00 C ATOM 1989 C ASN A 124 13.835 2.992 -11.186 1.00 0.00 C ATOM 1990 O ASN A 124 14.308 3.929 -11.831 1.00 0.00 O ATOM 1991 CB ASN A 124 15.275 0.973 -10.858 1.00 0.00 C ATOM 1992 CG ASN A 124 16.567 0.517 -10.207 1.00 0.00 C ATOM 1993 OD1 ASN A 124 17.630 1.093 -10.440 1.00 0.00 O ATOM 1994 ND2 ASN A 124 16.480 -0.522 -9.385 1.00 0.00 N ATOM 0 H ASN A 124 13.907 0.843 -8.813 1.00 0.00 H new ATOM 0 HA ASN A 124 15.508 2.863 -9.860 1.00 0.00 H new ATOM 0 HB2 ASN A 124 14.545 0.165 -10.814 1.00 0.00 H new ATOM 0 HB3 ASN A 124 15.457 1.182 -11.912 1.00 0.00 H new ATOM 0 HD21 ASN A 124 17.315 -0.873 -8.917 1.00 0.00 H new ATOM 0 HD22 ASN A 124 15.578 -0.969 -9.221 1.00 0.00 H new ATOM 2001 N LEU A 125 12.574 2.595 -11.307 1.00 0.00 N ATOM 2002 CA LEU A 125 11.650 3.252 -12.225 1.00 0.00 C ATOM 2003 C LEU A 125 11.239 4.623 -11.697 1.00 0.00 C ATOM 2004 O LEU A 125 11.099 5.577 -12.462 1.00 0.00 O ATOM 2005 CB LEU A 125 10.409 2.383 -12.440 1.00 0.00 C ATOM 2006 CG LEU A 125 10.563 1.226 -13.429 1.00 0.00 C ATOM 2007 CD1 LEU A 125 9.599 0.101 -13.088 1.00 0.00 C ATOM 2008 CD2 LEU A 125 10.340 1.710 -14.854 1.00 0.00 C ATOM 0 H LEU A 125 12.167 1.821 -10.781 1.00 0.00 H new ATOM 0 HA LEU A 125 12.160 3.389 -13.178 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.106 1.973 -11.477 1.00 0.00 H new ATOM 0 HB3 LEU A 125 9.597 3.023 -12.784 1.00 0.00 H new ATOM 0 HG LEU A 125 11.580 0.840 -13.353 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.723 -0.713 -13.802 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.807 -0.264 -12.082 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.575 0.472 -13.135 1.00 0.00 H new ATOM 0 HD21 LEU A 125 10.453 0.874 -15.544 1.00 0.00 H new ATOM 0 HD22 LEU A 125 9.335 2.122 -14.945 1.00 0.00 H new ATOM 0 HD23 LEU A 125 11.072 2.481 -15.095 1.00 0.00 H new ATOM 2020 N TRP A 126 11.049 4.713 -10.386 1.00 0.00 N ATOM 2021 CA TRP A 126 10.657 5.968 -9.755 1.00 0.00 C ATOM 2022 C TRP A 126 11.710 7.046 -9.986 1.00 0.00 C ATOM 2023 O TRP A 126 11.406 8.121 -10.504 1.00 0.00 O ATOM 2024 CB TRP A 126 10.439 5.763 -8.255 1.00 0.00 C ATOM 2025 CG TRP A 126 9.093 5.194 -7.923 1.00 0.00 C ATOM 2026 CD1 TRP A 126 8.065 4.961 -8.790 1.00 0.00 C ATOM 2027 CD2 TRP A 126 8.630 4.788 -6.630 1.00 0.00 C ATOM 2028 NE1 TRP A 126 6.990 4.435 -8.115 1.00 0.00 N ATOM 2029 CE2 TRP A 126 7.312 4.318 -6.788 1.00 0.00 C ATOM 2030 CE3 TRP A 126 9.202 4.773 -5.355 1.00 0.00 C ATOM 2031 CZ2 TRP A 126 6.558 3.841 -5.719 1.00 0.00 C ATOM 2032 CZ3 TRP A 126 8.453 4.300 -4.294 1.00 0.00 C ATOM 2033 CH2 TRP A 126 7.143 3.838 -4.482 1.00 0.00 C ATOM 0 H TRP A 126 11.160 3.932 -9.739 1.00 0.00 H new ATOM 0 HA TRP A 126 9.722 6.297 -10.209 1.00 0.00 H new ATOM 0 HB2 TRP A 126 11.212 5.097 -7.870 1.00 0.00 H new ATOM 0 HB3 TRP A 126 10.558 6.718 -7.744 1.00 0.00 H new ATOM 0 HD1 TRP A 126 8.092 5.161 -9.851 1.00 0.00 H new ATOM 0 HE1 TRP A 126 6.097 4.174 -8.534 1.00 0.00 H new ATOM 0 HE3 TRP A 126 10.211 5.125 -5.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 5.548 3.486 -5.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 8.884 4.286 -3.304 1.00 0.00 H new ATOM 0 HH2 TRP A 126 6.584 3.472 -3.633 1.00 0.00 H new ATOM 2044 N GLN A 127 12.947 6.751 -9.600 1.00 0.00 N ATOM 2045 CA GLN A 127 14.044 7.697 -9.765 1.00 0.00 C ATOM 2046 C GLN A 127 14.164 8.142 -11.219 1.00 0.00 C ATOM 2047 O GLN A 127 14.698 9.214 -11.509 1.00 0.00 O ATOM 2048 CB GLN A 127 15.360 7.071 -9.300 1.00 0.00 C ATOM 2049 CG GLN A 127 16.355 8.082 -8.753 1.00 0.00 C ATOM 2050 CD GLN A 127 17.785 7.581 -8.808 1.00 0.00 C ATOM 2051 OE1 GLN A 127 18.391 7.515 -9.878 1.00 0.00 O ATOM 2052 NE2 GLN A 127 18.332 7.224 -7.652 1.00 0.00 N ATOM 0 H GLN A 127 13.214 5.865 -9.171 1.00 0.00 H new ATOM 0 HA GLN A 127 13.831 8.573 -9.152 1.00 0.00 H new ATOM 0 HB2 GLN A 127 15.148 6.329 -8.530 1.00 0.00 H new ATOM 0 HB3 GLN A 127 15.816 6.541 -10.136 1.00 0.00 H new ATOM 0 HG2 GLN A 127 16.276 9.008 -9.322 1.00 0.00 H new ATOM 0 HG3 GLN A 127 16.096 8.319 -7.721 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.793 7.295 -6.789 1.00 0.00 H new ATOM 0 HE22 GLN A 127 19.291 6.879 -7.627 1.00 0.00 H new ATOM 2061 N LYS A 128 13.666 7.313 -12.129 1.00 0.00 N ATOM 2062 CA LYS A 128 13.717 7.620 -13.554 1.00 0.00 C ATOM 2063 C LYS A 128 12.552 8.518 -13.958 1.00 0.00 C ATOM 2064 O LYS A 128 12.747 9.563 -14.578 1.00 0.00 O ATOM 2065 CB LYS A 128 13.690 6.330 -14.376 1.00 0.00 C ATOM 2066 CG LYS A 128 13.159 6.519 -15.787 1.00 0.00 C ATOM 2067 CD LYS A 128 13.274 5.241 -16.601 1.00 0.00 C ATOM 2068 CE LYS A 128 12.438 5.312 -17.870 1.00 0.00 C ATOM 2069 NZ LYS A 128 13.003 4.463 -18.955 1.00 0.00 N ATOM 0 H LYS A 128 13.222 6.422 -11.906 1.00 0.00 H new ATOM 0 HA LYS A 128 14.648 8.150 -13.753 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.699 5.921 -14.428 1.00 0.00 H new ATOM 0 HB3 LYS A 128 13.074 5.593 -13.860 1.00 0.00 H new ATOM 0 HG2 LYS A 128 12.116 6.833 -15.745 1.00 0.00 H new ATOM 0 HG3 LYS A 128 13.712 7.318 -16.281 1.00 0.00 H new ATOM 0 HD2 LYS A 128 14.318 5.067 -16.861 1.00 0.00 H new ATOM 0 HD3 LYS A 128 12.950 4.393 -15.997 1.00 0.00 H new ATOM 0 HE2 LYS A 128 11.419 4.992 -17.652 1.00 0.00 H new ATOM 0 HE3 LYS A 128 12.381 6.346 -18.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 12.405 4.539 -19.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 13.966 4.784 -19.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 13.033 3.472 -18.640 1.00 0.00 H new ATOM 2083 N ASN A 129 11.340 8.104 -13.603 1.00 0.00 N ATOM 2084 CA ASN A 129 10.144 8.871 -13.928 1.00 0.00 C ATOM 2085 C ASN A 129 10.017 10.092 -13.022 1.00 0.00 C ATOM 2086 O ASN A 129 9.016 10.806 -13.062 1.00 0.00 O ATOM 2087 CB ASN A 129 8.897 7.993 -13.798 1.00 0.00 C ATOM 2088 CG ASN A 129 8.758 7.013 -14.946 1.00 0.00 C ATOM 2089 OD1 ASN A 129 8.264 7.362 -16.018 1.00 0.00 O ATOM 2090 ND2 ASN A 129 9.194 5.778 -14.727 1.00 0.00 N ATOM 0 H ASN A 129 11.161 7.241 -13.090 1.00 0.00 H new ATOM 0 HA ASN A 129 10.232 9.214 -14.959 1.00 0.00 H new ATOM 0 HB2 ASN A 129 8.939 7.443 -12.858 1.00 0.00 H new ATOM 0 HB3 ASN A 129 8.012 8.628 -13.756 1.00 0.00 H new ATOM 0 HD21 ASN A 129 9.126 5.075 -15.463 1.00 0.00 H new ATOM 0 HD22 ASN A 129 9.597 5.532 -13.823 1.00 0.00 H new ATOM 2097 N ASN A 130 11.039 10.324 -12.204 1.00 0.00 N ATOM 2098 CA ASN A 130 11.042 11.458 -11.287 1.00 0.00 C ATOM 2099 C ASN A 130 9.919 11.332 -10.263 1.00 0.00 C ATOM 2100 O ASN A 130 9.344 12.331 -9.830 1.00 0.00 O ATOM 2101 CB ASN A 130 10.896 12.768 -12.063 1.00 0.00 C ATOM 2102 CG ASN A 130 12.063 13.021 -12.997 1.00 0.00 C ATOM 2103 OD1 ASN A 130 11.889 13.139 -14.210 1.00 0.00 O ATOM 2104 ND2 ASN A 130 13.263 13.104 -12.434 1.00 0.00 N ATOM 0 H ASN A 130 11.875 9.742 -12.158 1.00 0.00 H new ATOM 0 HA ASN A 130 11.994 11.462 -10.756 1.00 0.00 H new ATOM 0 HB2 ASN A 130 9.971 12.744 -12.640 1.00 0.00 H new ATOM 0 HB3 ASN A 130 10.811 13.596 -11.359 1.00 0.00 H new ATOM 0 HD21 ASN A 130 14.087 13.272 -13.012 1.00 0.00 H new ATOM 0 HD22 ASN A 130 13.361 13.000 -11.424 1.00 0.00 H new ATOM 2111 N VAL A 131 9.611 10.097 -9.879 1.00 0.00 N ATOM 2112 CA VAL A 131 8.558 9.840 -8.904 1.00 0.00 C ATOM 2113 C VAL A 131 9.008 10.215 -7.496 1.00 0.00 C ATOM 2114 O VAL A 131 8.204 10.645 -6.670 1.00 0.00 O ATOM 2115 CB VAL A 131 8.130 8.360 -8.917 1.00 0.00 C ATOM 2116 CG1 VAL A 131 7.020 8.116 -7.906 1.00 0.00 C ATOM 2117 CG2 VAL A 131 7.691 7.945 -10.313 1.00 0.00 C ATOM 0 H VAL A 131 10.076 9.259 -10.228 1.00 0.00 H new ATOM 0 HA VAL A 131 7.707 10.460 -9.187 1.00 0.00 H new ATOM 0 HB VAL A 131 8.987 7.749 -8.634 1.00 0.00 H new ATOM 0 HG11 VAL A 131 6.731 7.065 -7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 131 7.374 8.373 -6.908 1.00 0.00 H new ATOM 0 HG13 VAL A 131 6.158 8.735 -8.155 1.00 0.00 H new ATOM 0 HG21 VAL A 131 7.392 6.897 -10.304 1.00 0.00 H new ATOM 0 HG22 VAL A 131 6.848 8.560 -10.627 1.00 0.00 H new ATOM 0 HG23 VAL A 131 8.518 8.080 -11.010 1.00 0.00 H new ATOM 2127 N PHE A 132 10.299 10.048 -7.230 1.00 0.00 N ATOM 2128 CA PHE A 132 10.858 10.369 -5.922 1.00 0.00 C ATOM 2129 C PHE A 132 12.302 10.846 -6.049 1.00 0.00 C ATOM 2130 O PHE A 132 13.020 10.452 -6.969 1.00 0.00 O ATOM 2131 CB PHE A 132 10.791 9.148 -5.003 1.00 0.00 C ATOM 2132 CG PHE A 132 9.401 8.823 -4.537 1.00 0.00 C ATOM 2133 CD1 PHE A 132 8.861 9.457 -3.429 1.00 0.00 C ATOM 2134 CD2 PHE A 132 8.634 7.883 -5.206 1.00 0.00 C ATOM 2135 CE1 PHE A 132 7.582 9.161 -2.999 1.00 0.00 C ATOM 2136 CE2 PHE A 132 7.353 7.583 -4.780 1.00 0.00 C ATOM 2137 CZ PHE A 132 6.827 8.222 -3.674 1.00 0.00 C ATOM 0 H PHE A 132 10.978 9.692 -7.903 1.00 0.00 H new ATOM 0 HA PHE A 132 10.265 11.175 -5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 132 11.200 8.285 -5.528 1.00 0.00 H new ATOM 0 HB3 PHE A 132 11.425 9.322 -4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 132 9.447 10.191 -2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 132 9.041 7.379 -6.070 1.00 0.00 H new ATOM 0 HE1 PHE A 132 7.173 9.664 -2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 132 6.764 6.850 -5.311 1.00 0.00 H new ATOM 0 HZ PHE A 132 5.828 7.988 -3.338 1.00 0.00 H new ATOM 2147 N LYS A 133 12.721 11.697 -5.119 1.00 0.00 N ATOM 2148 CA LYS A 133 14.079 12.229 -5.125 1.00 0.00 C ATOM 2149 C LYS A 133 15.089 11.146 -4.759 1.00 0.00 C ATOM 2150 O LYS A 133 14.795 10.253 -3.965 1.00 0.00 O ATOM 2151 CB LYS A 133 14.194 13.400 -4.145 1.00 0.00 C ATOM 2152 CG LYS A 133 14.369 12.968 -2.700 1.00 0.00 C ATOM 2153 CD LYS A 133 14.411 14.163 -1.762 1.00 0.00 C ATOM 2154 CE LYS A 133 13.341 15.185 -2.114 1.00 0.00 C ATOM 2155 NZ LYS A 133 13.037 16.087 -0.969 1.00 0.00 N ATOM 0 H LYS A 133 12.140 12.033 -4.351 1.00 0.00 H new ATOM 0 HA LYS A 133 14.300 12.582 -6.132 1.00 0.00 H new ATOM 0 HB2 LYS A 133 15.040 14.023 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 133 13.300 14.019 -4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 133 13.549 12.309 -2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 133 15.290 12.393 -2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 133 14.270 13.826 -0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 133 15.394 14.632 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 133 13.672 15.779 -2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 133 12.432 14.668 -2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 12.303 16.769 -1.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 12.697 15.523 -0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 13.899 16.600 -0.693 1.00 0.00 H new ATOM 2169 N SER A 134 16.280 11.232 -5.344 1.00 0.00 N ATOM 2170 CA SER A 134 17.332 10.258 -5.081 1.00 0.00 C ATOM 2171 C SER A 134 17.645 10.185 -3.589 1.00 0.00 C ATOM 2172 O SER A 134 18.111 9.160 -3.093 1.00 0.00 O ATOM 2173 CB SER A 134 18.597 10.620 -5.862 1.00 0.00 C ATOM 2174 OG SER A 134 19.003 11.950 -5.588 1.00 0.00 O ATOM 0 H SER A 134 16.540 11.966 -6.003 1.00 0.00 H new ATOM 0 HA SER A 134 16.978 9.280 -5.408 1.00 0.00 H new ATOM 0 HB2 SER A 134 19.399 9.930 -5.600 1.00 0.00 H new ATOM 0 HB3 SER A 134 18.414 10.505 -6.930 1.00 0.00 H new ATOM 0 HG SER A 134 19.814 12.156 -6.098 1.00 0.00 H new ATOM 2180 N GLU A 135 17.384 11.279 -2.882 1.00 0.00 N ATOM 2181 CA GLU A 135 17.638 11.340 -1.447 1.00 0.00 C ATOM 2182 C GLU A 135 16.622 10.501 -0.679 1.00 0.00 C ATOM 2183 O GLU A 135 16.856 10.119 0.468 1.00 0.00 O ATOM 2184 CB GLU A 135 17.593 12.789 -0.959 1.00 0.00 C ATOM 2185 CG GLU A 135 17.142 12.931 0.485 1.00 0.00 C ATOM 2186 CD GLU A 135 18.103 12.282 1.462 1.00 0.00 C ATOM 2187 OE1 GLU A 135 19.277 12.076 1.093 1.00 0.00 O ATOM 2188 OE2 GLU A 135 17.678 11.979 2.597 1.00 0.00 O ATOM 0 H GLU A 135 16.997 12.135 -3.279 1.00 0.00 H new ATOM 0 HA GLU A 135 18.632 10.934 -1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 135 18.584 13.231 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 135 16.919 13.358 -1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 135 17.042 13.989 0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 135 16.155 12.483 0.599 1.00 0.00 H new ATOM 2195 N ILE A 136 15.492 10.218 -1.319 1.00 0.00 N ATOM 2196 CA ILE A 136 14.440 9.424 -0.697 1.00 0.00 C ATOM 2197 C ILE A 136 14.508 7.970 -1.150 1.00 0.00 C ATOM 2198 O ILE A 136 14.252 7.053 -0.368 1.00 0.00 O ATOM 2199 CB ILE A 136 13.043 9.987 -1.022 1.00 0.00 C ATOM 2200 CG1 ILE A 136 12.801 11.286 -0.252 1.00 0.00 C ATOM 2201 CG2 ILE A 136 11.969 8.961 -0.692 1.00 0.00 C ATOM 2202 CD1 ILE A 136 11.723 12.157 -0.859 1.00 0.00 C ATOM 0 H ILE A 136 15.282 10.527 -2.268 1.00 0.00 H new ATOM 0 HA ILE A 136 14.601 9.474 0.380 1.00 0.00 H new ATOM 0 HB ILE A 136 12.994 10.205 -2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 136 12.526 11.044 0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 136 13.732 11.852 -0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 136 10.988 9.373 -0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 136 12.134 8.059 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 136 12.015 8.715 0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 136 11.606 13.061 -0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 136 12.005 12.429 -1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 136 10.781 11.610 -0.878 1.00 0.00 H new ATOM 2214 N ILE A 137 14.856 7.765 -2.415 1.00 0.00 N ATOM 2215 CA ILE A 137 14.961 6.422 -2.971 1.00 0.00 C ATOM 2216 C ILE A 137 16.309 5.792 -2.637 1.00 0.00 C ATOM 2217 O ILE A 137 16.400 4.588 -2.400 1.00 0.00 O ATOM 2218 CB ILE A 137 14.774 6.429 -4.500 1.00 0.00 C ATOM 2219 CG1 ILE A 137 13.443 7.086 -4.871 1.00 0.00 C ATOM 2220 CG2 ILE A 137 14.842 5.012 -5.049 1.00 0.00 C ATOM 2221 CD1 ILE A 137 12.957 6.726 -6.257 1.00 0.00 C ATOM 0 H ILE A 137 15.070 8.512 -3.075 1.00 0.00 H new ATOM 0 HA ILE A 137 14.165 5.831 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 137 15.581 7.010 -4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 137 12.687 6.793 -4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 137 13.550 8.169 -4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 137 14.708 5.034 -6.131 1.00 0.00 H new ATOM 0 HG22 ILE A 137 15.813 4.576 -4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 137 14.054 4.409 -4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 137 12.009 7.227 -6.452 1.00 0.00 H new ATOM 0 HD12 ILE A 137 13.694 7.044 -6.995 1.00 0.00 H new ATOM 0 HD13 ILE A 137 12.818 5.647 -6.325 1.00 0.00 H new ATOM 2233 N GLN A 138 17.352 6.616 -2.620 1.00 0.00 N ATOM 2234 CA GLN A 138 18.695 6.139 -2.313 1.00 0.00 C ATOM 2235 C GLN A 138 18.660 5.080 -1.216 1.00 0.00 C ATOM 2236 O GLN A 138 19.184 3.976 -1.368 1.00 0.00 O ATOM 2237 CB GLN A 138 19.588 7.305 -1.885 1.00 0.00 C ATOM 2238 CG GLN A 138 20.744 6.890 -0.989 1.00 0.00 C ATOM 2239 CD GLN A 138 21.793 6.082 -1.728 1.00 0.00 C ATOM 2240 OE1 GLN A 138 22.709 6.639 -2.334 1.00 0.00 O ATOM 2241 NE2 GLN A 138 21.664 4.761 -1.682 1.00 0.00 N ATOM 0 H GLN A 138 17.293 7.615 -2.815 1.00 0.00 H new ATOM 0 HA GLN A 138 19.107 5.687 -3.215 1.00 0.00 H new ATOM 0 HB2 GLN A 138 19.986 7.792 -2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 138 18.981 8.044 -1.362 1.00 0.00 H new ATOM 0 HG2 GLN A 138 21.208 7.780 -0.565 1.00 0.00 H new ATOM 0 HG3 GLN A 138 20.360 6.303 -0.155 1.00 0.00 H new ATOM 0 HE21 GLN A 138 20.889 4.342 -1.168 1.00 0.00 H new ATOM 0 HE22 GLN A 138 22.340 4.166 -2.161 1.00 0.00 H new ATOM 2250 N PRO A 139 18.030 5.422 -0.083 1.00 0.00 N ATOM 2251 CA PRO A 139 17.911 4.514 1.062 1.00 0.00 C ATOM 2252 C PRO A 139 16.976 3.343 0.779 1.00 0.00 C ATOM 2253 O PRO A 139 17.255 2.206 1.162 1.00 0.00 O ATOM 2254 CB PRO A 139 17.333 5.406 2.163 1.00 0.00 C ATOM 2255 CG PRO A 139 16.609 6.486 1.436 1.00 0.00 C ATOM 2256 CD PRO A 139 17.383 6.721 0.168 1.00 0.00 C ATOM 0 HA PRO A 139 18.866 4.058 1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 139 16.660 4.847 2.813 1.00 0.00 H new ATOM 0 HB3 PRO A 139 18.121 5.814 2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 139 15.583 6.190 1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 139 16.558 7.394 2.036 1.00 0.00 H new ATOM 0 HD2 PRO A 139 16.729 7.009 -0.655 1.00 0.00 H new ATOM 0 HD3 PRO A 139 18.116 7.519 0.287 1.00 0.00 H new ATOM 2264 N LEU A 140 15.867 3.628 0.106 1.00 0.00 N ATOM 2265 CA LEU A 140 14.890 2.597 -0.229 1.00 0.00 C ATOM 2266 C LEU A 140 15.534 1.481 -1.045 1.00 0.00 C ATOM 2267 O LEU A 140 15.087 0.334 -1.010 1.00 0.00 O ATOM 2268 CB LEU A 140 13.723 3.207 -1.009 1.00 0.00 C ATOM 2269 CG LEU A 140 12.881 4.239 -0.258 1.00 0.00 C ATOM 2270 CD1 LEU A 140 11.831 4.842 -1.178 1.00 0.00 C ATOM 2271 CD2 LEU A 140 12.225 3.608 0.961 1.00 0.00 C ATOM 0 H LEU A 140 15.622 4.563 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 140 14.514 2.171 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 140 14.120 3.677 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 140 13.067 2.399 -1.334 1.00 0.00 H new ATOM 0 HG LEU A 140 13.539 5.038 0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 140 11.241 5.574 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 140 12.322 5.331 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 140 11.176 4.054 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 140 11.630 4.357 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 140 11.580 2.789 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 140 12.995 3.225 1.631 1.00 0.00 H new ATOM 2283 N LEU A 141 16.588 1.824 -1.778 1.00 0.00 N ATOM 2284 CA LEU A 141 17.296 0.850 -2.602 1.00 0.00 C ATOM 2285 C LEU A 141 18.134 -0.087 -1.739 1.00 0.00 C ATOM 2286 O LEU A 141 18.335 -1.251 -2.084 1.00 0.00 O ATOM 2287 CB LEU A 141 18.191 1.566 -3.616 1.00 0.00 C ATOM 2288 CG LEU A 141 17.491 2.117 -4.858 1.00 0.00 C ATOM 2289 CD1 LEU A 141 18.365 3.153 -5.548 1.00 0.00 C ATOM 2290 CD2 LEU A 141 17.140 0.989 -5.817 1.00 0.00 C ATOM 0 H LEU A 141 16.971 2.769 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 141 16.555 0.255 -3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 141 18.692 2.391 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 141 18.967 0.872 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 141 16.566 2.602 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 141 17.850 3.534 -6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 141 18.565 3.975 -4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 141 19.307 2.693 -5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 141 16.642 1.400 -6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 141 18.051 0.475 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 141 16.475 0.283 -5.320 1.00 0.00 H new ATOM 2302 N ASP A 142 18.618 0.428 -0.614 1.00 0.00 N ATOM 2303 CA ASP A 142 19.432 -0.363 0.301 1.00 0.00 C ATOM 2304 C ASP A 142 18.553 -1.222 1.206 1.00 0.00 C ATOM 2305 O ASP A 142 18.839 -2.398 1.430 1.00 0.00 O ATOM 2306 CB ASP A 142 20.319 0.550 1.149 1.00 0.00 C ATOM 2307 CG ASP A 142 21.627 -0.111 1.538 1.00 0.00 C ATOM 2308 OD1 ASP A 142 22.531 -0.186 0.680 1.00 0.00 O ATOM 2309 OD2 ASP A 142 21.745 -0.555 2.699 1.00 0.00 O ATOM 0 H ASP A 142 18.461 1.390 -0.314 1.00 0.00 H new ATOM 0 HA ASP A 142 20.065 -1.022 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 142 20.529 1.465 0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.780 0.840 2.051 1.00 0.00 H new ATOM 2314 N MET A 143 17.484 -0.626 1.722 1.00 0.00 N ATOM 2315 CA MET A 143 16.563 -1.336 2.602 1.00 0.00 C ATOM 2316 C MET A 143 16.296 -2.746 2.084 1.00 0.00 C ATOM 2317 O MET A 143 16.257 -3.704 2.856 1.00 0.00 O ATOM 2318 CB MET A 143 15.247 -0.568 2.726 1.00 0.00 C ATOM 2319 CG MET A 143 15.421 0.862 3.210 1.00 0.00 C ATOM 2320 SD MET A 143 14.007 1.451 4.162 1.00 0.00 S ATOM 2321 CE MET A 143 12.651 0.783 3.201 1.00 0.00 C ATOM 0 H MET A 143 17.234 0.347 1.546 1.00 0.00 H new ATOM 0 HA MET A 143 17.025 -1.410 3.587 1.00 0.00 H new ATOM 0 HB2 MET A 143 14.750 -0.557 1.756 1.00 0.00 H new ATOM 0 HB3 MET A 143 14.590 -1.099 3.415 1.00 0.00 H new ATOM 0 HG2 MET A 143 16.319 0.927 3.824 1.00 0.00 H new ATOM 0 HG3 MET A 143 15.574 1.516 2.351 1.00 0.00 H new ATOM 0 HE1 MET A 143 11.724 1.283 3.483 1.00 0.00 H new ATOM 0 HE2 MET A 143 12.843 0.945 2.140 1.00 0.00 H new ATOM 0 HE3 MET A 143 12.560 -0.286 3.394 1.00 0.00 H new ATOM 2331 N ALA A 144 16.112 -2.866 0.774 1.00 0.00 N ATOM 2332 CA ALA A 144 15.850 -4.159 0.154 1.00 0.00 C ATOM 2333 C ALA A 144 16.975 -5.145 0.446 1.00 0.00 C ATOM 2334 O ALA A 144 16.732 -6.334 0.653 1.00 0.00 O ATOM 2335 CB ALA A 144 15.664 -3.996 -1.348 1.00 0.00 C ATOM 0 H ALA A 144 16.139 -2.083 0.121 1.00 0.00 H new ATOM 0 HA ALA A 144 14.931 -4.560 0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 144 15.469 -4.969 -1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.821 -3.332 -1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 144 16.568 -3.570 -1.782 1.00 0.00 H new