USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 750 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 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 75 MET CE :methyl 140:sc= -0.505 (180deg=-4.45!) USER MOD Set 2.1: A 22 THR OG1 : rot -50:sc= 1.17 USER MOD Set 2.2: A 25 THR OG1 : rot -130:sc= 0.789 USER MOD Set 3.1: A 13 MET CE :methyl 171:sc= -0.0521 (180deg=-0.208) USER MOD Set 3.2: A 63 HIS : no HD1:sc= -0.0337 K(o=-0.086,f=-3.6) USER MOD Single : A 3 TYR OH : rot 165:sc= -0.404 USER MOD Single : A 14 THR OG1 : rot 140:sc= 0 USER MOD Single : A 15 SER OG : rot -160:sc= -0.135 USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 0.0917 (180deg=-0.0122) USER MOD Single : A 20 ASN : amide:sc= 0.551 K(o=0.55,f=-0.018) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 24:sc= 0.649 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0.0783 USER MOD Single : A 51 THR OG1 : rot -63:sc= 0.731 USER MOD Single : A 52 LYS NZ :NH3+ 170:sc=-0.000977 (180deg=-0.102) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -144:sc= 0 (180deg=-1.09) USER MOD Single : A 88 GLN : amide:sc= 0.0503 K(o=0.05,f=-2.5) USER MOD Single : A 89 MET CE :methyl 142:sc= -0.0277 (180deg=-0.535) USER MOD Single : A 92 TYR OH : rot 180:sc= 0.17 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -4.826 14.132 3.038 1.00 0.00 N ATOM 30 CA TYR A 3 -5.977 13.244 3.002 1.00 0.00 C ATOM 31 C TYR A 3 -7.217 13.943 2.454 1.00 0.00 C ATOM 32 O TYR A 3 -7.239 15.160 2.259 1.00 0.00 O ATOM 33 CB TYR A 3 -6.272 12.716 4.408 1.00 0.00 C ATOM 34 CG TYR A 3 -5.206 11.840 5.033 1.00 0.00 C ATOM 35 CD1 TYR A 3 -4.022 11.525 4.346 1.00 0.00 C ATOM 36 CD2 TYR A 3 -5.421 11.332 6.321 1.00 0.00 C ATOM 37 CE1 TYR A 3 -3.067 10.688 4.940 1.00 0.00 C ATOM 38 CE2 TYR A 3 -4.474 10.496 6.923 1.00 0.00 C ATOM 39 CZ TYR A 3 -3.300 10.159 6.226 1.00 0.00 C ATOM 40 OH TYR A 3 -2.390 9.321 6.795 1.00 0.00 O ATOM 0 HA TYR A 3 -5.732 12.417 2.335 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.443 13.569 5.065 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.203 12.150 4.373 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.847 11.928 3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.325 11.588 6.854 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.155 10.449 4.414 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.644 10.112 7.918 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.575 9.239 7.754 1.00 0.00 H new ATOM 50 N GLY A 4 -8.261 13.150 2.210 1.00 0.00 N ATOM 51 CA GLY A 4 -9.547 13.623 1.739 1.00 0.00 C ATOM 52 C GLY A 4 -10.557 12.479 1.794 1.00 0.00 C ATOM 53 O GLY A 4 -10.171 11.319 1.936 1.00 0.00 O ATOM 0 H GLY A 4 -8.227 12.139 2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.889 14.455 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.459 13.996 0.719 1.00 0.00 H new ATOM 57 N ARG A 5 -11.850 12.796 1.685 1.00 0.00 N ATOM 58 CA ARG A 5 -12.896 11.790 1.730 1.00 0.00 C ATOM 59 C ARG A 5 -12.703 10.749 0.627 1.00 0.00 C ATOM 60 O ARG A 5 -12.195 11.066 -0.450 1.00 0.00 O ATOM 61 CB ARG A 5 -14.263 12.472 1.616 1.00 0.00 C ATOM 62 CG ARG A 5 -14.442 13.138 0.247 1.00 0.00 C ATOM 63 CD ARG A 5 -15.741 13.941 0.187 1.00 0.00 C ATOM 64 NE ARG A 5 -16.917 13.085 0.391 1.00 0.00 N ATOM 65 CZ ARG A 5 -17.623 13.020 1.526 1.00 0.00 C ATOM 66 NH1 ARG A 5 -17.302 13.760 2.584 1.00 0.00 N ATOM 67 NH2 ARG A 5 -18.669 12.202 1.601 1.00 0.00 N ATOM 0 H ARG A 5 -12.191 13.750 1.564 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.843 11.263 2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -15.052 11.737 1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.365 13.220 2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.596 13.795 0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.446 12.376 -0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.722 14.721 0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.817 14.440 -0.779 1.00 0.00 H new ATOM 0 HE ARG A 5 -17.217 12.498 -0.388 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -16.504 14.393 2.540 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -17.854 13.694 3.439 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -18.928 11.630 0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -19.212 12.147 2.462 1.00 0.00 H new ATOM 81 N PRO A 6 -13.110 9.505 0.892 1.00 0.00 N ATOM 82 CA PRO A 6 -13.099 8.431 -0.084 1.00 0.00 C ATOM 83 C PRO A 6 -14.164 8.699 -1.148 1.00 0.00 C ATOM 84 O PRO A 6 -15.124 9.428 -0.890 1.00 0.00 O ATOM 85 CB PRO A 6 -13.402 7.169 0.727 1.00 0.00 C ATOM 86 CG PRO A 6 -14.216 7.689 1.915 1.00 0.00 C ATOM 87 CD PRO A 6 -13.624 9.073 2.173 1.00 0.00 C ATOM 0 HA PRO A 6 -12.152 8.336 -0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.966 6.443 0.142 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.488 6.674 1.054 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -15.279 7.744 1.680 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.115 7.041 2.785 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -14.381 9.762 2.547 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.833 9.031 2.922 1.00 0.00 H new ATOM 95 N PRO A 7 -14.013 8.121 -2.348 1.00 0.00 N ATOM 96 CA PRO A 7 -14.943 8.329 -3.443 1.00 0.00 C ATOM 97 C PRO A 7 -16.268 7.611 -3.174 1.00 0.00 C ATOM 98 O PRO A 7 -16.301 6.621 -2.446 1.00 0.00 O ATOM 99 CB PRO A 7 -14.235 7.763 -4.678 1.00 0.00 C ATOM 100 CG PRO A 7 -13.317 6.688 -4.104 1.00 0.00 C ATOM 101 CD PRO A 7 -12.924 7.245 -2.737 1.00 0.00 C ATOM 0 HA PRO A 7 -15.197 9.381 -3.576 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -14.946 7.345 -5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.671 8.533 -5.205 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.829 5.730 -4.015 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.445 6.526 -4.737 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.787 6.443 -2.011 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.982 7.790 -2.792 1.00 0.00 H new ATOM 109 N PRO A 8 -17.367 8.106 -3.759 1.00 0.00 N ATOM 110 CA PRO A 8 -18.711 7.570 -3.579 1.00 0.00 C ATOM 111 C PRO A 8 -18.918 6.265 -4.351 1.00 0.00 C ATOM 112 O PRO A 8 -20.053 5.815 -4.500 1.00 0.00 O ATOM 113 CB PRO A 8 -19.636 8.673 -4.094 1.00 0.00 C ATOM 114 CG PRO A 8 -18.804 9.316 -5.204 1.00 0.00 C ATOM 115 CD PRO A 8 -17.386 9.254 -4.642 1.00 0.00 C ATOM 0 HA PRO A 8 -18.907 7.315 -2.538 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -20.575 8.270 -4.473 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -19.889 9.388 -3.311 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -18.891 8.770 -6.143 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -19.116 10.341 -5.402 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -16.652 9.146 -5.441 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -17.138 10.168 -4.102 1.00 0.00 H new ATOM 123 N ASP A 9 -17.838 5.659 -4.841 1.00 0.00 N ATOM 124 CA ASP A 9 -17.910 4.442 -5.634 1.00 0.00 C ATOM 125 C ASP A 9 -16.791 3.470 -5.248 1.00 0.00 C ATOM 126 O ASP A 9 -16.488 2.541 -5.990 1.00 0.00 O ATOM 127 CB ASP A 9 -17.843 4.820 -7.116 1.00 0.00 C ATOM 128 CG ASP A 9 -18.140 3.631 -8.028 1.00 0.00 C ATOM 129 OD1 ASP A 9 -19.148 2.934 -7.764 1.00 0.00 O ATOM 130 OD2 ASP A 9 -17.360 3.425 -8.985 1.00 0.00 O ATOM 0 H ASP A 9 -16.888 6.002 -4.697 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.852 3.929 -5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -18.557 5.618 -7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.852 5.213 -7.345 1.00 0.00 H new ATOM 135 N VAL A 10 -16.171 3.682 -4.082 1.00 0.00 N ATOM 136 CA VAL A 10 -15.101 2.820 -3.581 1.00 0.00 C ATOM 137 C VAL A 10 -15.567 1.363 -3.461 1.00 0.00 C ATOM 138 O VAL A 10 -14.744 0.450 -3.439 1.00 0.00 O ATOM 139 CB VAL A 10 -14.594 3.362 -2.236 1.00 0.00 C ATOM 140 CG1 VAL A 10 -15.682 3.297 -1.161 1.00 0.00 C ATOM 141 CG2 VAL A 10 -13.367 2.593 -1.754 1.00 0.00 C ATOM 0 H VAL A 10 -16.399 4.458 -3.460 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.277 2.829 -4.295 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.320 4.404 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -15.290 3.688 -0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.538 3.895 -1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.994 2.262 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.033 3.001 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.623 1.541 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.567 2.687 -2.489 1.00 0.00 H new ATOM 151 N GLU A 11 -16.883 1.147 -3.382 1.00 0.00 N ATOM 152 CA GLU A 11 -17.478 -0.181 -3.294 1.00 0.00 C ATOM 153 C GLU A 11 -17.431 -0.902 -4.644 1.00 0.00 C ATOM 154 O GLU A 11 -17.926 -2.021 -4.774 1.00 0.00 O ATOM 155 CB GLU A 11 -18.928 -0.052 -2.822 1.00 0.00 C ATOM 156 CG GLU A 11 -18.983 0.666 -1.474 1.00 0.00 C ATOM 157 CD GLU A 11 -20.412 0.722 -0.944 1.00 0.00 C ATOM 158 OE1 GLU A 11 -20.821 -0.254 -0.274 1.00 0.00 O ATOM 159 OE2 GLU A 11 -21.091 1.740 -1.208 1.00 0.00 O ATOM 0 H GLU A 11 -17.570 1.901 -3.378 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.905 -0.772 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.510 0.500 -3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.379 -1.041 -2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.345 0.150 -0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.590 1.677 -1.580 1.00 0.00 H new ATOM 166 N GLY A 12 -16.833 -0.255 -5.650 1.00 0.00 N ATOM 167 CA GLY A 12 -16.721 -0.777 -7.006 1.00 0.00 C ATOM 168 C GLY A 12 -15.345 -0.476 -7.599 1.00 0.00 C ATOM 169 O GLY A 12 -15.205 -0.392 -8.818 1.00 0.00 O ATOM 0 H GLY A 12 -16.406 0.665 -5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.890 -1.854 -7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -17.495 -0.336 -7.634 1.00 0.00 H new ATOM 173 N MET A 13 -14.337 -0.307 -6.733 1.00 0.00 N ATOM 174 CA MET A 13 -12.971 0.007 -7.131 1.00 0.00 C ATOM 175 C MET A 13 -12.002 -0.887 -6.364 1.00 0.00 C ATOM 176 O MET A 13 -12.357 -1.450 -5.325 1.00 0.00 O ATOM 177 CB MET A 13 -12.683 1.485 -6.836 1.00 0.00 C ATOM 178 CG MET A 13 -13.588 2.411 -7.649 1.00 0.00 C ATOM 179 SD MET A 13 -13.622 4.128 -7.072 1.00 0.00 S ATOM 180 CE MET A 13 -11.852 4.501 -7.075 1.00 0.00 C ATOM 0 H MET A 13 -14.456 -0.387 -5.723 1.00 0.00 H new ATOM 0 HA MET A 13 -12.845 -0.171 -8.199 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.826 1.678 -5.773 1.00 0.00 H new ATOM 0 HB3 MET A 13 -11.640 1.705 -7.063 1.00 0.00 H new ATOM 0 HG2 MET A 13 -13.260 2.397 -8.688 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.603 2.015 -7.629 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.704 5.567 -6.899 1.00 0.00 H new ATOM 0 HE2 MET A 13 -11.359 3.931 -6.287 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.425 4.230 -8.040 1.00 0.00 H new ATOM 190 N THR A 14 -10.776 -1.021 -6.873 1.00 0.00 N ATOM 191 CA THR A 14 -9.759 -1.850 -6.235 1.00 0.00 C ATOM 192 C THR A 14 -9.311 -1.203 -4.923 1.00 0.00 C ATOM 193 O THR A 14 -9.575 -0.024 -4.684 1.00 0.00 O ATOM 194 CB THR A 14 -8.590 -2.050 -7.206 1.00 0.00 C ATOM 195 OG1 THR A 14 -9.079 -2.613 -8.406 1.00 0.00 O ATOM 196 CG2 THR A 14 -7.517 -2.989 -6.658 1.00 0.00 C ATOM 0 H THR A 14 -10.465 -0.563 -7.729 1.00 0.00 H new ATOM 0 HA THR A 14 -10.168 -2.831 -5.992 1.00 0.00 H new ATOM 0 HB THR A 14 -8.139 -1.070 -7.365 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.627 -2.198 -9.170 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.715 -3.092 -7.389 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.113 -2.579 -5.732 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.956 -3.967 -6.461 1.00 0.00 H new ATOM 203 N SER A 15 -8.630 -1.974 -4.071 1.00 0.00 N ATOM 204 CA SER A 15 -8.122 -1.492 -2.796 1.00 0.00 C ATOM 205 C SER A 15 -6.898 -2.303 -2.397 1.00 0.00 C ATOM 206 O SER A 15 -6.873 -3.525 -2.559 1.00 0.00 O ATOM 207 CB SER A 15 -9.211 -1.623 -1.731 1.00 0.00 C ATOM 208 OG SER A 15 -9.650 -2.962 -1.647 1.00 0.00 O ATOM 0 H SER A 15 -8.417 -2.955 -4.253 1.00 0.00 H new ATOM 0 HA SER A 15 -7.838 -0.444 -2.887 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.826 -1.297 -0.765 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.050 -0.972 -1.976 1.00 0.00 H new ATOM 0 HG SER A 15 -10.531 -2.991 -1.219 1.00 0.00 H new ATOM 214 N LEU A 16 -5.873 -1.627 -1.874 1.00 0.00 N ATOM 215 CA LEU A 16 -4.682 -2.298 -1.372 1.00 0.00 C ATOM 216 C LEU A 16 -4.142 -1.610 -0.124 1.00 0.00 C ATOM 217 O LEU A 16 -3.368 -0.661 -0.239 1.00 0.00 O ATOM 218 CB LEU A 16 -3.610 -2.306 -2.464 1.00 0.00 C ATOM 219 CG LEU A 16 -2.407 -3.151 -2.025 1.00 0.00 C ATOM 220 CD1 LEU A 16 -2.649 -4.618 -2.360 1.00 0.00 C ATOM 221 CD2 LEU A 16 -1.164 -2.673 -2.762 1.00 0.00 C ATOM 0 H LEU A 16 -5.848 -0.611 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.949 -3.320 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.026 -2.707 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.289 -1.286 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.270 -3.045 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.790 -5.210 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.541 -4.968 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.790 -4.727 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.306 -3.270 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.314 -2.781 -3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.981 -1.625 -2.525 1.00 0.00 H new ATOM 233 N LYS A 17 -4.556 -2.094 1.055 1.00 0.00 N ATOM 234 CA LYS A 17 -4.085 -1.606 2.346 1.00 0.00 C ATOM 235 C LYS A 17 -2.577 -1.807 2.502 1.00 0.00 C ATOM 236 O LYS A 17 -1.999 -2.736 1.941 1.00 0.00 O ATOM 237 CB LYS A 17 -4.865 -2.305 3.466 1.00 0.00 C ATOM 238 CG LYS A 17 -4.222 -2.144 4.845 1.00 0.00 C ATOM 239 CD LYS A 17 -5.176 -2.726 5.885 1.00 0.00 C ATOM 240 CE LYS A 17 -4.568 -2.718 7.285 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.351 -1.352 7.789 1.00 0.00 N ATOM 0 H LYS A 17 -5.239 -2.848 1.133 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.265 -0.533 2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.879 -1.906 3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.948 -3.367 3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.262 -2.659 4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.028 -1.092 5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.103 -2.152 5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.435 -3.748 5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.226 -3.255 7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.618 -3.253 7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.066 -1.392 8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.602 -0.892 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.232 -0.806 7.702 1.00 0.00 H new ATOM 255 N VAL A 18 -1.954 -0.919 3.281 1.00 0.00 N ATOM 256 CA VAL A 18 -0.550 -0.986 3.654 1.00 0.00 C ATOM 257 C VAL A 18 -0.449 -0.685 5.143 1.00 0.00 C ATOM 258 O VAL A 18 -1.072 0.274 5.605 1.00 0.00 O ATOM 259 CB VAL A 18 0.225 0.077 2.883 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.658 0.193 3.399 1.00 0.00 C ATOM 261 CG2 VAL A 18 0.223 -0.168 1.376 1.00 0.00 C ATOM 0 H VAL A 18 -2.433 -0.111 3.679 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.141 -1.971 3.428 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.292 1.021 3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.188 0.958 2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.644 0.468 4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.166 -0.764 3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.789 0.619 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.681 -1.134 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.803 -0.165 1.008 1.00 0.00 H new ATOM 271 N ASP A 19 0.324 -1.494 5.877 1.00 0.00 N ATOM 272 CA ASP A 19 0.408 -1.428 7.330 1.00 0.00 C ATOM 273 C ASP A 19 1.733 -1.973 7.882 1.00 0.00 C ATOM 274 O ASP A 19 2.650 -2.307 7.131 1.00 0.00 O ATOM 275 CB ASP A 19 -0.780 -2.206 7.915 1.00 0.00 C ATOM 276 CG ASP A 19 -0.733 -3.697 7.600 1.00 0.00 C ATOM 277 OD1 ASP A 19 -1.142 -4.069 6.474 1.00 0.00 O ATOM 278 OD2 ASP A 19 -0.287 -4.456 8.494 1.00 0.00 O ATOM 0 H ASP A 19 0.913 -2.219 5.468 1.00 0.00 H new ATOM 0 HA ASP A 19 0.371 -0.380 7.627 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.799 -2.070 8.996 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.708 -1.788 7.525 1.00 0.00 H new ATOM 283 N ASN A 20 1.806 -2.055 9.217 1.00 0.00 N ATOM 284 CA ASN A 20 2.921 -2.576 10.012 1.00 0.00 C ATOM 285 C ASN A 20 4.156 -1.666 10.063 1.00 0.00 C ATOM 286 O ASN A 20 5.156 -2.035 10.678 1.00 0.00 O ATOM 287 CB ASN A 20 3.298 -3.998 9.588 1.00 0.00 C ATOM 288 CG ASN A 20 3.850 -4.788 10.768 1.00 0.00 C ATOM 289 OD1 ASN A 20 3.105 -5.171 11.664 1.00 0.00 O ATOM 290 ND2 ASN A 20 5.157 -5.036 10.782 1.00 0.00 N ATOM 0 H ASN A 20 1.037 -1.738 9.807 1.00 0.00 H new ATOM 0 HA ASN A 20 2.544 -2.602 11.034 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.422 -4.505 9.183 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.041 -3.959 8.791 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.568 -5.560 11.555 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.748 -4.702 10.020 1.00 0.00 H new ATOM 297 N LEU A 21 4.109 -0.491 9.428 1.00 0.00 N ATOM 298 CA LEU A 21 5.182 0.491 9.478 1.00 0.00 C ATOM 299 C LEU A 21 5.540 0.909 10.913 1.00 0.00 C ATOM 300 O LEU A 21 4.850 0.566 11.868 1.00 0.00 O ATOM 301 CB LEU A 21 4.854 1.687 8.568 1.00 0.00 C ATOM 302 CG LEU A 21 3.510 2.404 8.769 1.00 0.00 C ATOM 303 CD1 LEU A 21 2.318 1.527 8.394 1.00 0.00 C ATOM 304 CD2 LEU A 21 3.306 2.906 10.196 1.00 0.00 C ATOM 0 H LEU A 21 3.314 -0.197 8.860 1.00 0.00 H new ATOM 0 HA LEU A 21 6.085 0.019 9.091 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.647 2.425 8.689 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.896 1.341 7.535 1.00 0.00 H new ATOM 0 HG LEU A 21 3.558 3.261 8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.393 2.082 8.555 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.392 1.242 7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.316 0.631 9.015 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.339 3.403 10.272 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.336 2.063 10.886 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.097 3.611 10.450 1.00 0.00 H new ATOM 316 N THR A 22 6.637 1.657 11.058 1.00 0.00 N ATOM 317 CA THR A 22 7.186 1.999 12.368 1.00 0.00 C ATOM 318 C THR A 22 6.359 3.051 13.090 1.00 0.00 C ATOM 319 O THR A 22 5.468 3.679 12.518 1.00 0.00 O ATOM 320 CB THR A 22 8.619 2.529 12.231 1.00 0.00 C ATOM 321 OG1 THR A 22 8.598 3.821 11.672 1.00 0.00 O ATOM 322 CG2 THR A 22 9.487 1.631 11.360 1.00 0.00 C ATOM 0 H THR A 22 7.165 2.040 10.274 1.00 0.00 H new ATOM 0 HA THR A 22 7.169 1.079 12.953 1.00 0.00 H new ATOM 0 HB THR A 22 9.050 2.549 13.232 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.040 3.820 10.866 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.491 2.049 11.294 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.537 0.635 11.800 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.055 1.565 10.361 1.00 0.00 H new ATOM 329 N TYR A 23 6.669 3.251 14.373 1.00 0.00 N ATOM 330 CA TYR A 23 6.074 4.295 15.196 1.00 0.00 C ATOM 331 C TYR A 23 6.692 5.663 14.882 1.00 0.00 C ATOM 332 O TYR A 23 6.450 6.629 15.603 1.00 0.00 O ATOM 333 CB TYR A 23 6.271 3.921 16.667 1.00 0.00 C ATOM 334 CG TYR A 23 7.721 3.842 17.101 1.00 0.00 C ATOM 335 CD1 TYR A 23 8.443 2.648 16.935 1.00 0.00 C ATOM 336 CD2 TYR A 23 8.345 4.964 17.668 1.00 0.00 C ATOM 337 CE1 TYR A 23 9.789 2.576 17.316 1.00 0.00 C ATOM 338 CE2 TYR A 23 9.692 4.899 18.059 1.00 0.00 C ATOM 339 CZ TYR A 23 10.416 3.704 17.883 1.00 0.00 C ATOM 340 OH TYR A 23 11.723 3.633 18.266 1.00 0.00 O ATOM 0 H TYR A 23 7.351 2.681 14.873 1.00 0.00 H new ATOM 0 HA TYR A 23 5.009 4.373 14.979 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.757 4.655 17.288 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.795 2.958 16.852 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.958 1.781 16.511 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.788 5.879 17.804 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.344 1.660 17.176 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.172 5.763 18.494 1.00 0.00 H new ATOM 0 HH TYR A 23 12.003 4.496 18.636 1.00 0.00 H new ATOM 350 N ARG A 24 7.489 5.746 13.807 1.00 0.00 N ATOM 351 CA ARG A 24 8.187 6.964 13.398 1.00 0.00 C ATOM 352 C ARG A 24 7.877 7.327 11.946 1.00 0.00 C ATOM 353 O ARG A 24 8.266 8.402 11.493 1.00 0.00 O ATOM 354 CB ARG A 24 9.693 6.753 13.562 1.00 0.00 C ATOM 355 CG ARG A 24 10.108 6.494 15.010 1.00 0.00 C ATOM 356 CD ARG A 24 9.738 7.667 15.914 1.00 0.00 C ATOM 357 NE ARG A 24 10.430 8.894 15.506 1.00 0.00 N ATOM 358 CZ ARG A 24 10.072 10.124 15.888 1.00 0.00 C ATOM 359 NH1 ARG A 24 9.029 10.309 16.692 1.00 0.00 N ATOM 360 NH2 ARG A 24 10.766 11.173 15.459 1.00 0.00 N ATOM 0 H ARG A 24 7.667 4.953 13.190 1.00 0.00 H new ATOM 0 HA ARG A 24 7.846 7.785 14.028 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.005 5.911 12.945 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.220 7.632 13.191 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.624 5.587 15.372 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.183 6.322 15.057 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.660 7.827 15.882 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.995 7.428 16.946 1.00 0.00 H new ATOM 0 HE ARG A 24 11.238 8.803 14.890 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.493 9.508 17.024 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.766 11.252 16.977 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.567 11.037 14.842 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.498 12.114 15.747 1.00 0.00 H new ATOM 374 N THR A 25 7.187 6.449 11.220 1.00 0.00 N ATOM 375 CA THR A 25 6.721 6.738 9.868 1.00 0.00 C ATOM 376 C THR A 25 5.687 7.867 9.907 1.00 0.00 C ATOM 377 O THR A 25 5.198 8.222 10.980 1.00 0.00 O ATOM 378 CB THR A 25 6.146 5.452 9.264 1.00 0.00 C ATOM 379 OG1 THR A 25 7.111 4.428 9.357 1.00 0.00 O ATOM 380 CG2 THR A 25 5.770 5.605 7.790 1.00 0.00 C ATOM 0 H THR A 25 6.936 5.518 11.554 1.00 0.00 H new ATOM 0 HA THR A 25 7.545 7.076 9.239 1.00 0.00 H new ATOM 0 HB THR A 25 5.242 5.215 9.824 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.213 3.995 8.484 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.369 4.663 7.417 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.017 6.386 7.686 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.656 5.875 7.215 1.00 0.00 H new ATOM 387 N SER A 26 5.350 8.446 8.753 1.00 0.00 N ATOM 388 CA SER A 26 4.473 9.606 8.685 1.00 0.00 C ATOM 389 C SER A 26 3.476 9.482 7.534 1.00 0.00 C ATOM 390 O SER A 26 3.666 8.671 6.629 1.00 0.00 O ATOM 391 CB SER A 26 5.351 10.848 8.492 1.00 0.00 C ATOM 392 OG SER A 26 6.158 11.049 9.631 1.00 0.00 O ATOM 0 H SER A 26 5.679 8.121 7.844 1.00 0.00 H new ATOM 0 HA SER A 26 3.895 9.681 9.606 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.978 10.727 7.609 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.725 11.723 8.321 1.00 0.00 H new ATOM 0 HG SER A 26 6.717 11.843 9.500 1.00 0.00 H new ATOM 398 N PRO A 27 2.397 10.282 7.549 1.00 0.00 N ATOM 399 CA PRO A 27 1.399 10.263 6.495 1.00 0.00 C ATOM 400 C PRO A 27 1.951 10.839 5.195 1.00 0.00 C ATOM 401 O PRO A 27 1.494 10.467 4.115 1.00 0.00 O ATOM 402 CB PRO A 27 0.248 11.112 7.035 1.00 0.00 C ATOM 403 CG PRO A 27 0.938 12.091 7.983 1.00 0.00 C ATOM 404 CD PRO A 27 2.048 11.239 8.583 1.00 0.00 C ATOM 0 HA PRO A 27 1.081 9.249 6.252 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.277 11.632 6.234 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.490 10.502 7.556 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.333 12.959 7.454 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.256 12.466 8.746 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.907 11.850 8.860 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.711 10.734 9.488 1.00 0.00 H new ATOM 412 N ASP A 28 2.931 11.742 5.287 1.00 0.00 N ATOM 413 CA ASP A 28 3.525 12.351 4.106 1.00 0.00 C ATOM 414 C ASP A 28 4.468 11.374 3.401 1.00 0.00 C ATOM 415 O ASP A 28 4.629 11.439 2.182 1.00 0.00 O ATOM 416 CB ASP A 28 4.296 13.602 4.513 1.00 0.00 C ATOM 417 CG ASP A 28 4.867 14.325 3.296 1.00 0.00 C ATOM 418 OD1 ASP A 28 4.075 14.975 2.578 1.00 0.00 O ATOM 419 OD2 ASP A 28 6.097 14.229 3.096 1.00 0.00 O ATOM 0 H ASP A 28 3.326 12.064 6.170 1.00 0.00 H new ATOM 0 HA ASP A 28 2.725 12.616 3.414 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.637 14.275 5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.106 13.328 5.189 1.00 0.00 H new ATOM 424 N THR A 29 5.095 10.464 4.156 1.00 0.00 N ATOM 425 CA THR A 29 5.991 9.513 3.522 1.00 0.00 C ATOM 426 C THR A 29 5.152 8.524 2.748 1.00 0.00 C ATOM 427 O THR A 29 5.356 8.383 1.551 1.00 0.00 O ATOM 428 CB THR A 29 6.877 8.747 4.510 1.00 0.00 C ATOM 429 OG1 THR A 29 6.216 8.514 5.731 1.00 0.00 O ATOM 430 CG2 THR A 29 8.136 9.561 4.801 1.00 0.00 C ATOM 0 H THR A 29 5.000 10.373 5.167 1.00 0.00 H new ATOM 0 HA THR A 29 6.664 10.079 2.878 1.00 0.00 H new ATOM 0 HB THR A 29 7.124 7.788 4.054 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.247 8.541 5.589 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.767 9.017 5.504 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.685 9.726 3.874 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.856 10.522 5.233 1.00 0.00 H new ATOM 437 N LEU A 30 4.214 7.844 3.410 1.00 0.00 N ATOM 438 CA LEU A 30 3.487 6.782 2.747 1.00 0.00 C ATOM 439 C LEU A 30 2.763 7.316 1.512 1.00 0.00 C ATOM 440 O LEU A 30 2.557 6.583 0.550 1.00 0.00 O ATOM 441 CB LEU A 30 2.524 6.112 3.722 1.00 0.00 C ATOM 442 CG LEU A 30 3.255 5.641 4.982 1.00 0.00 C ATOM 443 CD1 LEU A 30 2.238 5.358 6.083 1.00 0.00 C ATOM 444 CD2 LEU A 30 4.043 4.367 4.688 1.00 0.00 C ATOM 0 H LEU A 30 3.951 8.010 4.381 1.00 0.00 H new ATOM 0 HA LEU A 30 4.195 6.026 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.734 6.811 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.044 5.262 3.237 1.00 0.00 H new ATOM 0 HG LEU A 30 3.944 6.422 5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.757 5.023 6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.680 6.267 6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.549 4.581 5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.559 4.042 5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.360 3.584 4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.774 4.564 3.904 1.00 0.00 H new ATOM 456 N ARG A 31 2.380 8.596 1.527 1.00 0.00 N ATOM 457 CA ARG A 31 1.791 9.238 0.364 1.00 0.00 C ATOM 458 C ARG A 31 2.762 9.224 -0.807 1.00 0.00 C ATOM 459 O ARG A 31 2.367 8.866 -1.909 1.00 0.00 O ATOM 460 CB ARG A 31 1.412 10.678 0.758 1.00 0.00 C ATOM 461 CG ARG A 31 1.087 11.570 -0.445 1.00 0.00 C ATOM 462 CD ARG A 31 -0.104 11.017 -1.217 1.00 0.00 C ATOM 463 NE ARG A 31 -0.201 11.632 -2.543 1.00 0.00 N ATOM 464 CZ ARG A 31 -0.866 12.755 -2.826 1.00 0.00 C ATOM 465 NH1 ARG A 31 -1.498 13.442 -1.878 1.00 0.00 N ATOM 466 NH2 ARG A 31 -0.886 13.191 -4.080 1.00 0.00 N ATOM 0 H ARG A 31 2.471 9.205 2.340 1.00 0.00 H new ATOM 0 HA ARG A 31 0.900 8.697 0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.550 10.650 1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.234 11.122 1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.869 12.582 -0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.955 11.634 -1.102 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.005 9.936 -1.320 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.022 11.202 -0.658 1.00 0.00 H new ATOM 0 HE ARG A 31 0.278 11.165 -3.313 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.481 13.113 -0.913 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.000 14.297 -2.117 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.398 12.670 -4.809 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.389 14.047 -4.314 1.00 0.00 H new ATOM 480 N ARG A 32 4.020 9.601 -0.590 1.00 0.00 N ATOM 481 CA ARG A 32 4.968 9.766 -1.687 1.00 0.00 C ATOM 482 C ARG A 32 5.725 8.478 -1.998 1.00 0.00 C ATOM 483 O ARG A 32 5.928 8.141 -3.161 1.00 0.00 O ATOM 484 CB ARG A 32 5.938 10.867 -1.267 1.00 0.00 C ATOM 485 CG ARG A 32 6.979 11.169 -2.343 1.00 0.00 C ATOM 486 CD ARG A 32 7.968 12.214 -1.816 1.00 0.00 C ATOM 487 NE ARG A 32 7.302 13.493 -1.515 1.00 0.00 N ATOM 488 CZ ARG A 32 6.943 13.893 -0.291 1.00 0.00 C ATOM 489 NH1 ARG A 32 7.193 13.147 0.780 1.00 0.00 N ATOM 490 NH2 ARG A 32 6.322 15.055 -0.127 1.00 0.00 N ATOM 0 H ARG A 32 4.405 9.797 0.334 1.00 0.00 H new ATOM 0 HA ARG A 32 4.433 10.028 -2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.378 11.775 -1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.445 10.570 -0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.509 10.257 -2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.490 11.538 -3.245 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.452 11.835 -0.916 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.752 12.377 -2.555 1.00 0.00 H new ATOM 0 HE ARG A 32 7.101 14.118 -2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.668 12.250 0.677 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.910 13.471 1.705 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.119 15.643 -0.935 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.048 15.360 0.807 1.00 0.00 H new ATOM 504 N VAL A 33 6.146 7.759 -0.957 1.00 0.00 N ATOM 505 CA VAL A 33 6.904 6.523 -1.080 1.00 0.00 C ATOM 506 C VAL A 33 6.073 5.426 -1.748 1.00 0.00 C ATOM 507 O VAL A 33 6.648 4.493 -2.298 1.00 0.00 O ATOM 508 CB VAL A 33 7.398 6.060 0.297 1.00 0.00 C ATOM 509 CG1 VAL A 33 8.184 7.169 1.005 1.00 0.00 C ATOM 510 CG2 VAL A 33 6.238 5.534 1.124 1.00 0.00 C ATOM 0 H VAL A 33 5.964 8.028 0.010 1.00 0.00 H new ATOM 0 HA VAL A 33 7.768 6.720 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 33 8.096 5.233 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.521 6.812 1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.048 7.445 0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.543 8.040 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.603 5.209 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.499 6.324 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.777 4.691 0.610 1.00 0.00 H new ATOM 520 N PHE A 34 4.738 5.524 -1.715 1.00 0.00 N ATOM 521 CA PHE A 34 3.879 4.581 -2.426 1.00 0.00 C ATOM 522 C PHE A 34 3.271 5.176 -3.701 1.00 0.00 C ATOM 523 O PHE A 34 2.829 4.424 -4.567 1.00 0.00 O ATOM 524 CB PHE A 34 2.760 4.110 -1.502 1.00 0.00 C ATOM 525 CG PHE A 34 3.187 3.042 -0.523 1.00 0.00 C ATOM 526 CD1 PHE A 34 3.120 1.690 -0.887 1.00 0.00 C ATOM 527 CD2 PHE A 34 3.659 3.399 0.745 1.00 0.00 C ATOM 528 CE1 PHE A 34 3.509 0.693 0.017 1.00 0.00 C ATOM 529 CE2 PHE A 34 4.076 2.408 1.643 1.00 0.00 C ATOM 530 CZ PHE A 34 3.998 1.055 1.280 1.00 0.00 C ATOM 0 H PHE A 34 4.234 6.248 -1.203 1.00 0.00 H new ATOM 0 HA PHE A 34 4.506 3.742 -2.728 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.375 4.966 -0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.938 3.727 -2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.767 1.415 -1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.702 4.439 1.032 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.433 -0.349 -0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.457 2.685 2.615 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.315 0.291 1.975 1.00 0.00 H new ATOM 540 N GLU A 35 3.237 6.505 -3.836 1.00 0.00 N ATOM 541 CA GLU A 35 2.702 7.129 -5.039 1.00 0.00 C ATOM 542 C GLU A 35 3.564 6.776 -6.252 1.00 0.00 C ATOM 543 O GLU A 35 3.088 6.815 -7.386 1.00 0.00 O ATOM 544 CB GLU A 35 2.598 8.645 -4.840 1.00 0.00 C ATOM 545 CG GLU A 35 2.166 9.379 -6.109 1.00 0.00 C ATOM 546 CD GLU A 35 1.868 10.849 -5.816 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.800 11.120 -5.218 1.00 0.00 O ATOM 548 OE2 GLU A 35 2.713 11.694 -6.192 1.00 0.00 O ATOM 0 H GLU A 35 3.572 7.161 -3.130 1.00 0.00 H new ATOM 0 HA GLU A 35 1.699 6.745 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.884 8.854 -4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.563 9.031 -4.513 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.952 9.306 -6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.280 8.901 -6.526 1.00 0.00 H new ATOM 555 N LYS A 36 4.835 6.432 -6.012 1.00 0.00 N ATOM 556 CA LYS A 36 5.783 6.117 -7.075 1.00 0.00 C ATOM 557 C LYS A 36 5.470 4.777 -7.740 1.00 0.00 C ATOM 558 O LYS A 36 5.890 4.530 -8.869 1.00 0.00 O ATOM 559 CB LYS A 36 7.202 6.114 -6.504 1.00 0.00 C ATOM 560 CG LYS A 36 7.488 4.876 -5.646 1.00 0.00 C ATOM 561 CD LYS A 36 8.933 4.875 -5.145 1.00 0.00 C ATOM 562 CE LYS A 36 9.228 6.094 -4.272 1.00 0.00 C ATOM 563 NZ LYS A 36 10.615 6.057 -3.769 1.00 0.00 N ATOM 0 H LYS A 36 5.230 6.366 -5.074 1.00 0.00 H new ATOM 0 HA LYS A 36 5.699 6.883 -7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.920 6.158 -7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.350 7.011 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.805 4.853 -4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.302 3.974 -6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.120 3.965 -4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.614 4.863 -5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.070 7.006 -4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.533 6.122 -3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.793 6.895 -3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.756 5.197 -3.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.276 6.053 -4.572 1.00 0.00 H new ATOM 577 N TYR A 37 4.734 3.918 -7.032 1.00 0.00 N ATOM 578 CA TYR A 37 4.343 2.611 -7.548 1.00 0.00 C ATOM 579 C TYR A 37 3.252 2.754 -8.602 1.00 0.00 C ATOM 580 O TYR A 37 2.975 1.806 -9.333 1.00 0.00 O ATOM 581 CB TYR A 37 3.921 1.706 -6.388 1.00 0.00 C ATOM 582 CG TYR A 37 5.114 1.297 -5.569 1.00 0.00 C ATOM 583 CD1 TYR A 37 5.714 2.218 -4.702 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.639 0.005 -5.700 1.00 0.00 C ATOM 585 CE1 TYR A 37 6.873 1.869 -3.998 1.00 0.00 C ATOM 586 CE2 TYR A 37 6.788 -0.359 -4.985 1.00 0.00 C ATOM 587 CZ TYR A 37 7.420 0.577 -4.144 1.00 0.00 C ATOM 588 OH TYR A 37 8.556 0.227 -3.480 1.00 0.00 O ATOM 0 H TYR A 37 4.395 4.110 -6.089 1.00 0.00 H new ATOM 0 HA TYR A 37 5.194 2.142 -8.042 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.202 2.228 -5.756 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.419 0.820 -6.776 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.282 3.200 -4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.159 -0.710 -6.351 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.347 2.587 -3.345 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.189 -1.357 -5.079 1.00 0.00 H new ATOM 0 HH TYR A 37 8.789 -0.700 -3.697 1.00 0.00 H new ATOM 598 N GLY A 38 2.633 3.938 -8.683 1.00 0.00 N ATOM 599 CA GLY A 38 1.719 4.236 -9.778 1.00 0.00 C ATOM 600 C GLY A 38 0.857 5.428 -9.420 1.00 0.00 C ATOM 601 O GLY A 38 1.055 6.537 -9.915 1.00 0.00 O ATOM 0 H GLY A 38 2.750 4.694 -8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.283 4.444 -10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.090 3.370 -9.984 1.00 0.00 H new ATOM 605 N ARG A 39 -0.107 5.172 -8.540 1.00 0.00 N ATOM 606 CA ARG A 39 -0.921 6.180 -7.892 1.00 0.00 C ATOM 607 C ARG A 39 -1.377 5.584 -6.575 1.00 0.00 C ATOM 608 O ARG A 39 -2.057 4.562 -6.547 1.00 0.00 O ATOM 609 CB ARG A 39 -2.087 6.631 -8.784 1.00 0.00 C ATOM 610 CG ARG A 39 -3.084 5.557 -9.241 1.00 0.00 C ATOM 611 CD ARG A 39 -2.505 4.575 -10.260 1.00 0.00 C ATOM 612 NE ARG A 39 -1.976 5.275 -11.434 1.00 0.00 N ATOM 613 CZ ARG A 39 -1.409 4.662 -12.480 1.00 0.00 C ATOM 614 NH1 ARG A 39 -1.286 3.339 -12.511 1.00 0.00 N ATOM 615 NH2 ARG A 39 -0.960 5.385 -13.503 1.00 0.00 N ATOM 0 H ARG A 39 -0.346 4.223 -8.253 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.351 7.091 -7.710 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.643 7.400 -8.248 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.668 7.102 -9.673 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.430 5.001 -8.370 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.957 6.045 -9.675 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.711 3.990 -9.794 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.278 3.872 -10.571 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.044 6.292 -11.455 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.626 2.777 -11.731 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.852 2.886 -13.315 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.049 6.401 -13.487 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.527 4.923 -14.303 1.00 0.00 H new ATOM 629 N VAL A 40 -0.991 6.232 -5.477 1.00 0.00 N ATOM 630 CA VAL A 40 -1.260 5.751 -4.136 1.00 0.00 C ATOM 631 C VAL A 40 -2.759 5.539 -3.913 1.00 0.00 C ATOM 632 O VAL A 40 -3.137 4.806 -3.005 1.00 0.00 O ATOM 633 CB VAL A 40 -0.653 6.743 -3.135 1.00 0.00 C ATOM 634 CG1 VAL A 40 -1.452 8.043 -3.140 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.603 6.169 -1.725 1.00 0.00 C ATOM 0 H VAL A 40 -0.478 7.113 -5.501 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.797 4.775 -3.989 1.00 0.00 H new ATOM 0 HB VAL A 40 0.372 6.941 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.015 8.742 -2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.428 8.481 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.485 7.836 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.166 6.904 -1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.613 5.927 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.006 5.265 -1.721 1.00 0.00 H new ATOM 645 N GLY A 41 -3.598 6.173 -4.745 1.00 0.00 N ATOM 646 CA GLY A 41 -5.050 6.036 -4.734 1.00 0.00 C ATOM 647 C GLY A 41 -5.680 6.774 -3.563 1.00 0.00 C ATOM 648 O GLY A 41 -6.511 7.657 -3.760 1.00 0.00 O ATOM 0 H GLY A 41 -3.267 6.815 -5.465 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.458 6.422 -5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.315 4.980 -4.682 1.00 0.00 H new ATOM 652 N ASP A 42 -5.276 6.411 -2.347 1.00 0.00 N ATOM 653 CA ASP A 42 -5.723 7.030 -1.113 1.00 0.00 C ATOM 654 C ASP A 42 -4.738 6.660 -0.007 1.00 0.00 C ATOM 655 O ASP A 42 -3.934 5.742 -0.162 1.00 0.00 O ATOM 656 CB ASP A 42 -7.128 6.526 -0.761 1.00 0.00 C ATOM 657 CG ASP A 42 -7.688 7.225 0.475 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.421 8.438 0.622 1.00 0.00 O ATOM 659 OD2 ASP A 42 -8.377 6.546 1.268 1.00 0.00 O ATOM 0 H ASP A 42 -4.609 5.655 -2.195 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.763 8.113 -1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.796 6.692 -1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.095 5.451 -0.587 1.00 0.00 H new ATOM 664 N VAL A 43 -4.787 7.374 1.119 1.00 0.00 N ATOM 665 CA VAL A 43 -3.903 7.110 2.239 1.00 0.00 C ATOM 666 C VAL A 43 -4.603 7.506 3.532 1.00 0.00 C ATOM 667 O VAL A 43 -5.202 8.576 3.610 1.00 0.00 O ATOM 668 CB VAL A 43 -2.570 7.847 2.023 1.00 0.00 C ATOM 669 CG1 VAL A 43 -2.774 9.317 1.656 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.664 7.742 3.253 1.00 0.00 C ATOM 0 H VAL A 43 -5.438 8.144 1.273 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.670 6.048 2.312 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.082 7.353 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.804 9.794 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.351 9.385 0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.312 9.821 2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.732 8.274 3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.166 8.184 4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.448 6.693 3.458 1.00 0.00 H new ATOM 680 N TYR A 44 -4.530 6.641 4.546 1.00 0.00 N ATOM 681 CA TYR A 44 -5.176 6.894 5.825 1.00 0.00 C ATOM 682 C TYR A 44 -4.371 6.314 6.987 1.00 0.00 C ATOM 683 O TYR A 44 -3.586 5.386 6.802 1.00 0.00 O ATOM 684 CB TYR A 44 -6.607 6.352 5.809 1.00 0.00 C ATOM 685 CG TYR A 44 -7.434 6.996 6.889 1.00 0.00 C ATOM 686 CD1 TYR A 44 -7.654 8.383 6.856 1.00 0.00 C ATOM 687 CD2 TYR A 44 -7.964 6.222 7.931 1.00 0.00 C ATOM 688 CE1 TYR A 44 -8.387 8.998 7.874 1.00 0.00 C ATOM 689 CE2 TYR A 44 -8.704 6.836 8.955 1.00 0.00 C ATOM 690 CZ TYR A 44 -8.909 8.229 8.931 1.00 0.00 C ATOM 691 OH TYR A 44 -9.606 8.846 9.924 1.00 0.00 O ATOM 0 H TYR A 44 -4.026 5.756 4.500 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.218 7.972 5.978 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.061 6.540 4.836 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.593 5.271 5.951 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.257 8.974 6.044 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.803 5.154 7.946 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.553 10.065 7.850 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.114 6.242 9.758 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.901 8.180 10.579 1.00 0.00 H new ATOM 701 N ILE A 45 -4.582 6.869 8.184 1.00 0.00 N ATOM 702 CA ILE A 45 -3.980 6.430 9.435 1.00 0.00 C ATOM 703 C ILE A 45 -5.038 6.632 10.516 1.00 0.00 C ATOM 704 O ILE A 45 -5.158 7.728 11.063 1.00 0.00 O ATOM 705 CB ILE A 45 -2.692 7.216 9.750 1.00 0.00 C ATOM 706 CG1 ILE A 45 -1.587 6.851 8.752 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.211 6.890 11.167 1.00 0.00 C ATOM 708 CD1 ILE A 45 -0.303 7.644 8.986 1.00 0.00 C ATOM 0 H ILE A 45 -5.203 7.669 8.307 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.679 5.384 9.376 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.913 8.281 9.673 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.371 5.785 8.828 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.943 7.033 7.738 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.301 7.450 11.380 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.983 7.165 11.886 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.007 5.822 11.245 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.447 7.347 8.253 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.509 8.709 8.883 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.071 7.442 9.990 1.00 0.00 H new ATOM 720 N PRO A 46 -5.812 5.588 10.834 1.00 0.00 N ATOM 721 CA PRO A 46 -6.910 5.657 11.784 1.00 0.00 C ATOM 722 C PRO A 46 -6.500 6.019 13.202 1.00 0.00 C ATOM 723 O PRO A 46 -7.313 6.559 13.948 1.00 0.00 O ATOM 724 CB PRO A 46 -7.540 4.266 11.792 1.00 0.00 C ATOM 725 CG PRO A 46 -7.064 3.623 10.492 1.00 0.00 C ATOM 726 CD PRO A 46 -5.707 4.267 10.254 1.00 0.00 C ATOM 0 HA PRO A 46 -7.586 6.452 11.470 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.219 3.690 12.660 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.628 4.323 11.831 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.983 2.540 10.586 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.752 3.822 9.670 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.909 3.692 10.724 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.477 4.320 9.190 1.00 0.00 H new ATOM 734 N ARG A 47 -5.244 5.713 13.541 1.00 0.00 N ATOM 735 CA ARG A 47 -4.674 5.801 14.889 1.00 0.00 C ATOM 736 C ARG A 47 -5.762 5.788 15.963 1.00 0.00 C ATOM 737 O ARG A 47 -6.231 4.717 16.341 1.00 0.00 O ATOM 738 CB ARG A 47 -3.700 6.986 14.985 1.00 0.00 C ATOM 739 CG ARG A 47 -4.225 8.298 14.388 1.00 0.00 C ATOM 740 CD ARG A 47 -3.109 9.344 14.404 1.00 0.00 C ATOM 741 NE ARG A 47 -3.505 10.562 13.694 1.00 0.00 N ATOM 742 CZ ARG A 47 -2.791 11.690 13.677 1.00 0.00 C ATOM 743 NH1 ARG A 47 -1.647 11.781 14.351 1.00 0.00 N ATOM 744 NH2 ARG A 47 -3.220 12.739 12.981 1.00 0.00 N ATOM 0 H ARG A 47 -4.567 5.383 12.853 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.081 4.908 15.085 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.454 7.153 16.034 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.772 6.718 14.479 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.570 8.134 13.367 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.081 8.654 14.961 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.854 9.589 15.435 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.213 8.928 13.944 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.385 10.548 13.178 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.307 10.984 14.888 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.110 12.648 14.330 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.095 12.682 12.460 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.674 13.601 12.968 1.00 0.00 H new ATOM 758 N ASP A 48 -6.165 6.962 16.453 1.00 0.00 N ATOM 759 CA ASP A 48 -7.314 7.105 17.328 1.00 0.00 C ATOM 760 C ASP A 48 -7.873 8.517 17.170 1.00 0.00 C ATOM 761 O ASP A 48 -7.131 9.496 17.250 1.00 0.00 O ATOM 762 CB ASP A 48 -6.902 6.835 18.774 1.00 0.00 C ATOM 763 CG ASP A 48 -8.060 7.108 19.725 1.00 0.00 C ATOM 764 OD1 ASP A 48 -8.170 8.274 20.158 1.00 0.00 O ATOM 765 OD2 ASP A 48 -8.821 6.155 20.007 1.00 0.00 O ATOM 0 H ASP A 48 -5.694 7.843 16.248 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.086 6.384 17.061 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.577 5.800 18.877 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.052 7.464 19.038 1.00 0.00 H new ATOM 770 N ARG A 49 -9.184 8.616 16.937 1.00 0.00 N ATOM 771 CA ARG A 49 -9.842 9.869 16.590 1.00 0.00 C ATOM 772 C ARG A 49 -10.027 10.827 17.775 1.00 0.00 C ATOM 773 O ARG A 49 -10.732 11.824 17.636 1.00 0.00 O ATOM 774 CB ARG A 49 -11.179 9.559 15.902 1.00 0.00 C ATOM 775 CG ARG A 49 -12.227 9.083 16.911 1.00 0.00 C ATOM 776 CD ARG A 49 -13.538 8.737 16.211 1.00 0.00 C ATOM 777 NE ARG A 49 -14.084 9.908 15.511 1.00 0.00 N ATOM 778 CZ ARG A 49 -15.207 10.552 15.843 1.00 0.00 C ATOM 779 NH1 ARG A 49 -15.950 10.154 16.873 1.00 0.00 N ATOM 780 NH2 ARG A 49 -15.583 11.605 15.131 1.00 0.00 N ATOM 0 H ARG A 49 -9.820 7.820 16.985 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.184 10.403 15.905 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.542 10.450 15.390 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.030 8.793 15.141 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.853 8.209 17.445 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.401 9.861 17.655 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.373 7.928 15.500 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.261 8.376 16.942 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.564 10.258 14.706 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.665 9.344 17.424 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.804 10.659 17.111 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.017 11.915 14.341 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.438 12.106 15.373 1.00 0.00 H new ATOM 794 N TYR A 50 -9.414 10.550 18.932 1.00 0.00 N ATOM 795 CA TYR A 50 -9.595 11.382 20.120 1.00 0.00 C ATOM 796 C TYR A 50 -8.274 11.690 20.820 1.00 0.00 C ATOM 797 O TYR A 50 -8.210 12.615 21.631 1.00 0.00 O ATOM 798 CB TYR A 50 -10.480 10.674 21.147 1.00 0.00 C ATOM 799 CG TYR A 50 -11.771 10.079 20.643 1.00 0.00 C ATOM 800 CD1 TYR A 50 -12.907 10.880 20.465 1.00 0.00 C ATOM 801 CD2 TYR A 50 -11.829 8.704 20.383 1.00 0.00 C ATOM 802 CE1 TYR A 50 -14.112 10.299 20.051 1.00 0.00 C ATOM 803 CE2 TYR A 50 -13.028 8.118 19.966 1.00 0.00 C ATOM 804 CZ TYR A 50 -14.181 8.912 19.802 1.00 0.00 C ATOM 805 OH TYR A 50 -15.352 8.342 19.405 1.00 0.00 O ATOM 0 H TYR A 50 -8.789 9.755 19.067 1.00 0.00 H new ATOM 0 HA TYR A 50 -10.052 12.306 19.767 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.895 9.876 21.605 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.721 11.387 21.936 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.853 11.943 20.647 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.945 8.095 20.505 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -14.990 10.914 19.922 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -13.071 7.057 19.770 1.00 0.00 H new ATOM 0 HH TYR A 50 -15.220 7.379 19.277 1.00 0.00 H new ATOM 815 N THR A 51 -7.222 10.923 20.514 1.00 0.00 N ATOM 816 CA THR A 51 -5.943 11.027 21.204 1.00 0.00 C ATOM 817 C THR A 51 -4.773 11.046 20.223 1.00 0.00 C ATOM 818 O THR A 51 -3.651 11.363 20.611 1.00 0.00 O ATOM 819 CB THR A 51 -5.806 9.845 22.172 1.00 0.00 C ATOM 820 OG1 THR A 51 -5.736 8.640 21.440 1.00 0.00 O ATOM 821 CG2 THR A 51 -7.005 9.755 23.119 1.00 0.00 C ATOM 0 H THR A 51 -7.239 10.215 19.780 1.00 0.00 H new ATOM 0 HA THR A 51 -5.918 11.968 21.754 1.00 0.00 H new ATOM 0 HB THR A 51 -4.899 10.001 22.757 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.569 8.512 20.940 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.875 8.907 23.791 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.077 10.673 23.703 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.918 9.622 22.539 1.00 0.00 H new ATOM 828 N LYS A 52 -5.043 10.710 18.953 1.00 0.00 N ATOM 829 CA LYS A 52 -4.108 10.750 17.836 1.00 0.00 C ATOM 830 C LYS A 52 -2.680 10.344 18.210 1.00 0.00 C ATOM 831 O LYS A 52 -1.725 11.000 17.796 1.00 0.00 O ATOM 832 CB LYS A 52 -4.161 12.144 17.199 1.00 0.00 C ATOM 833 CG LYS A 52 -5.565 12.464 16.679 1.00 0.00 C ATOM 834 CD LYS A 52 -5.584 13.849 16.026 1.00 0.00 C ATOM 835 CE LYS A 52 -6.969 14.167 15.457 1.00 0.00 C ATOM 836 NZ LYS A 52 -7.985 14.282 16.524 1.00 0.00 N ATOM 0 H LYS A 52 -5.969 10.388 18.671 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.421 9.999 17.110 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.863 12.893 17.933 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.446 12.199 16.379 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.874 11.709 15.956 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.281 12.431 17.500 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.306 14.605 16.760 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.841 13.890 15.229 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.926 15.099 14.894 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.263 13.385 14.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.867 14.662 16.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.166 13.343 16.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.638 14.922 17.266 1.00 0.00 H new ATOM 850 N GLU A 53 -2.525 9.268 18.987 1.00 0.00 N ATOM 851 CA GLU A 53 -1.221 8.831 19.486 1.00 0.00 C ATOM 852 C GLU A 53 -0.976 7.347 19.203 1.00 0.00 C ATOM 853 O GLU A 53 -0.245 6.686 19.937 1.00 0.00 O ATOM 854 CB GLU A 53 -1.083 9.169 20.974 1.00 0.00 C ATOM 855 CG GLU A 53 -2.131 8.446 21.825 1.00 0.00 C ATOM 856 CD GLU A 53 -1.923 8.747 23.309 1.00 0.00 C ATOM 857 OE1 GLU A 53 -2.333 9.848 23.744 1.00 0.00 O ATOM 858 OE2 GLU A 53 -1.351 7.874 24.005 1.00 0.00 O ATOM 0 H GLU A 53 -3.300 8.677 19.287 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.445 9.376 18.947 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.085 8.895 21.317 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.183 10.246 21.112 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.131 8.758 21.522 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.067 7.371 21.654 1.00 0.00 H new ATOM 865 N SER A 54 -1.591 6.829 18.136 1.00 0.00 N ATOM 866 CA SER A 54 -1.516 5.419 17.771 1.00 0.00 C ATOM 867 C SER A 54 -1.103 5.262 16.306 1.00 0.00 C ATOM 868 O SER A 54 -1.564 4.352 15.621 1.00 0.00 O ATOM 869 CB SER A 54 -2.861 4.746 18.047 1.00 0.00 C ATOM 870 OG SER A 54 -3.197 4.883 19.413 1.00 0.00 O ATOM 0 H SER A 54 -2.160 7.386 17.498 1.00 0.00 H new ATOM 0 HA SER A 54 -0.754 4.930 18.378 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.636 5.195 17.426 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.811 3.690 17.780 1.00 0.00 H new ATOM 0 HG SER A 54 -4.060 4.451 19.582 1.00 0.00 H new ATOM 876 N ARG A 55 -0.227 6.158 15.829 1.00 0.00 N ATOM 877 CA ARG A 55 0.305 6.165 14.466 1.00 0.00 C ATOM 878 C ARG A 55 1.200 4.945 14.187 1.00 0.00 C ATOM 879 O ARG A 55 1.954 4.931 13.217 1.00 0.00 O ATOM 880 CB ARG A 55 1.097 7.461 14.265 1.00 0.00 C ATOM 881 CG ARG A 55 1.236 7.813 12.781 1.00 0.00 C ATOM 882 CD ARG A 55 2.493 8.649 12.526 1.00 0.00 C ATOM 883 NE ARG A 55 2.440 9.945 13.210 1.00 0.00 N ATOM 884 CZ ARG A 55 3.413 10.854 13.138 1.00 0.00 C ATOM 885 NH1 ARG A 55 4.518 10.618 12.435 1.00 0.00 N ATOM 886 NH2 ARG A 55 3.286 12.014 13.778 1.00 0.00 N ATOM 0 H ARG A 55 0.139 6.919 16.401 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.528 6.110 13.765 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.599 8.277 14.788 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.087 7.356 14.709 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.278 6.898 12.190 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.356 8.365 12.451 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.370 8.097 12.863 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.610 8.809 11.454 1.00 0.00 H new ATOM 0 HE ARG A 55 1.616 10.163 13.770 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.629 9.732 11.942 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.254 11.323 12.389 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.445 12.207 14.323 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.029 12.710 13.724 1.00 0.00 H new ATOM 900 N GLY A 56 1.127 3.915 15.030 1.00 0.00 N ATOM 901 CA GLY A 56 1.943 2.715 14.904 1.00 0.00 C ATOM 902 C GLY A 56 1.593 1.876 13.672 1.00 0.00 C ATOM 903 O GLY A 56 2.218 0.844 13.442 1.00 0.00 O ATOM 0 H GLY A 56 0.491 3.894 15.827 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.994 3.001 14.855 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.821 2.104 15.799 1.00 0.00 H new ATOM 907 N PHE A 57 0.605 2.303 12.883 1.00 0.00 N ATOM 908 CA PHE A 57 0.206 1.609 11.670 1.00 0.00 C ATOM 909 C PHE A 57 -0.473 2.583 10.712 1.00 0.00 C ATOM 910 O PHE A 57 -0.652 3.753 11.039 1.00 0.00 O ATOM 911 CB PHE A 57 -0.736 0.461 12.021 1.00 0.00 C ATOM 912 CG PHE A 57 -2.114 0.943 12.403 1.00 0.00 C ATOM 913 CD1 PHE A 57 -2.355 1.460 13.685 1.00 0.00 C ATOM 914 CD2 PHE A 57 -3.153 0.882 11.466 1.00 0.00 C ATOM 915 CE1 PHE A 57 -3.633 1.927 14.018 1.00 0.00 C ATOM 916 CE2 PHE A 57 -4.427 1.350 11.798 1.00 0.00 C ATOM 917 CZ PHE A 57 -4.671 1.873 13.079 1.00 0.00 C ATOM 0 H PHE A 57 0.061 3.144 13.074 1.00 0.00 H new ATOM 0 HA PHE A 57 1.090 1.201 11.180 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.814 -0.215 11.169 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.313 -0.113 12.846 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.558 1.498 14.413 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.969 0.472 10.484 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.819 2.330 15.003 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.224 1.310 11.070 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.656 2.232 13.339 1.00 0.00 H new ATOM 927 N ALA A 58 -0.851 2.095 9.528 1.00 0.00 N ATOM 928 CA ALA A 58 -1.533 2.902 8.533 1.00 0.00 C ATOM 929 C ALA A 58 -2.470 2.047 7.684 1.00 0.00 C ATOM 930 O ALA A 58 -2.654 0.857 7.926 1.00 0.00 O ATOM 931 CB ALA A 58 -0.508 3.598 7.636 1.00 0.00 C ATOM 0 H ALA A 58 -0.690 1.130 9.240 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.130 3.652 9.052 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.027 4.202 6.891 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.130 4.240 8.243 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.104 2.849 7.133 1.00 0.00 H new ATOM 937 N PHE A 59 -3.062 2.697 6.681 1.00 0.00 N ATOM 938 CA PHE A 59 -3.995 2.117 5.739 1.00 0.00 C ATOM 939 C PHE A 59 -3.835 2.858 4.413 1.00 0.00 C ATOM 940 O PHE A 59 -4.766 3.509 3.935 1.00 0.00 O ATOM 941 CB PHE A 59 -5.411 2.252 6.312 1.00 0.00 C ATOM 942 CG PHE A 59 -6.445 1.326 5.708 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.422 0.982 4.346 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.448 0.809 6.537 1.00 0.00 C ATOM 945 CE1 PHE A 59 -7.399 0.130 3.820 1.00 0.00 C ATOM 946 CE2 PHE A 59 -8.416 -0.052 6.012 1.00 0.00 C ATOM 947 CZ PHE A 59 -8.391 -0.395 4.654 1.00 0.00 C ATOM 0 H PHE A 59 -2.890 3.687 6.503 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.806 1.057 5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.369 2.071 7.386 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.744 3.281 6.174 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.648 1.376 3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.474 1.076 7.583 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.387 -0.122 2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.185 -0.454 6.655 1.00 0.00 H new ATOM 0 HZ PHE A 59 -9.137 -1.064 4.252 1.00 0.00 H new ATOM 957 N VAL A 60 -2.648 2.772 3.802 1.00 0.00 N ATOM 958 CA VAL A 60 -2.487 3.326 2.461 1.00 0.00 C ATOM 959 C VAL A 60 -3.322 2.445 1.539 1.00 0.00 C ATOM 960 O VAL A 60 -3.376 1.244 1.791 1.00 0.00 O ATOM 961 CB VAL A 60 -1.020 3.335 2.017 1.00 0.00 C ATOM 962 CG1 VAL A 60 -0.831 4.265 0.823 1.00 0.00 C ATOM 963 CG2 VAL A 60 -0.087 3.771 3.140 1.00 0.00 C ATOM 0 H VAL A 60 -1.814 2.340 4.200 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.814 4.366 2.435 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.766 2.313 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.216 4.260 0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.450 3.923 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.124 5.278 1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.942 3.763 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.351 4.778 3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.184 3.084 3.981 1.00 0.00 H new ATOM 973 N ARG A 61 -3.974 2.981 0.500 1.00 0.00 N ATOM 974 CA ARG A 61 -4.915 2.193 -0.286 1.00 0.00 C ATOM 975 C ARG A 61 -4.877 2.546 -1.768 1.00 0.00 C ATOM 976 O ARG A 61 -5.390 3.586 -2.173 1.00 0.00 O ATOM 977 CB ARG A 61 -6.325 2.385 0.284 1.00 0.00 C ATOM 978 CG ARG A 61 -7.396 1.781 -0.632 1.00 0.00 C ATOM 979 CD ARG A 61 -8.763 1.823 0.039 1.00 0.00 C ATOM 980 NE ARG A 61 -9.054 3.151 0.588 1.00 0.00 N ATOM 981 CZ ARG A 61 -10.060 3.393 1.429 1.00 0.00 C ATOM 982 NH1 ARG A 61 -10.947 2.444 1.713 1.00 0.00 N ATOM 983 NH2 ARG A 61 -10.180 4.590 1.997 1.00 0.00 N ATOM 0 H ARG A 61 -3.865 3.947 0.191 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.624 1.145 -0.214 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.385 1.922 1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.521 3.449 0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.430 2.331 -1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.136 0.751 -0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.532 1.551 -0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.800 1.082 0.838 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.456 3.930 0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.861 1.522 1.286 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.713 2.638 2.358 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.502 5.323 1.789 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.950 4.774 2.640 1.00 0.00 H new ATOM 997 N PHE A 62 -4.268 1.669 -2.575 1.00 0.00 N ATOM 998 CA PHE A 62 -4.258 1.844 -4.023 1.00 0.00 C ATOM 999 C PHE A 62 -5.646 1.517 -4.553 1.00 0.00 C ATOM 1000 O PHE A 62 -6.453 0.955 -3.809 1.00 0.00 O ATOM 1001 CB PHE A 62 -3.219 0.934 -4.685 1.00 0.00 C ATOM 1002 CG PHE A 62 -1.794 1.296 -4.345 1.00 0.00 C ATOM 1003 CD1 PHE A 62 -1.283 0.997 -3.077 1.00 0.00 C ATOM 1004 CD2 PHE A 62 -0.981 1.936 -5.298 1.00 0.00 C ATOM 1005 CE1 PHE A 62 0.038 1.327 -2.752 1.00 0.00 C ATOM 1006 CE2 PHE A 62 0.342 2.254 -4.980 1.00 0.00 C ATOM 1007 CZ PHE A 62 0.851 1.943 -3.714 1.00 0.00 C ATOM 0 H PHE A 62 -3.779 0.836 -2.247 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.991 2.874 -4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.405 -0.096 -4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.348 0.977 -5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.911 0.509 -2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.378 2.181 -6.272 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.428 1.109 -1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.972 2.740 -5.711 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.878 2.179 -3.476 1.00 0.00 H new ATOM 1017 N HIS A 63 -5.925 1.858 -5.816 1.00 0.00 N ATOM 1018 CA HIS A 63 -7.255 1.669 -6.375 1.00 0.00 C ATOM 1019 C HIS A 63 -7.232 1.144 -7.810 1.00 0.00 C ATOM 1020 O HIS A 63 -8.261 1.137 -8.487 1.00 0.00 O ATOM 1021 CB HIS A 63 -8.049 2.965 -6.255 1.00 0.00 C ATOM 1022 CG HIS A 63 -7.806 3.946 -7.374 1.00 0.00 C ATOM 1023 ND1 HIS A 63 -8.781 4.365 -8.280 1.00 0.00 N ATOM 1024 CD2 HIS A 63 -6.623 4.561 -7.664 1.00 0.00 C ATOM 1025 CE1 HIS A 63 -8.157 5.225 -9.099 1.00 0.00 C ATOM 1026 NE2 HIS A 63 -6.866 5.365 -8.754 1.00 0.00 N ATOM 0 H HIS A 63 -5.248 2.263 -6.462 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.753 0.893 -5.794 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -9.112 2.725 -6.222 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -7.801 3.443 -5.308 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.685 4.441 -7.143 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -8.629 5.736 -9.925 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -6.184 5.964 -9.220 1.00 0.00 H new ATOM 1034 N ASP A 64 -6.061 0.699 -8.269 1.00 0.00 N ATOM 1035 CA ASP A 64 -5.917 0.060 -9.567 1.00 0.00 C ATOM 1036 C ASP A 64 -5.050 -1.188 -9.426 1.00 0.00 C ATOM 1037 O ASP A 64 -4.036 -1.176 -8.732 1.00 0.00 O ATOM 1038 CB ASP A 64 -5.364 1.052 -10.593 1.00 0.00 C ATOM 1039 CG ASP A 64 -5.340 0.449 -11.997 1.00 0.00 C ATOM 1040 OD1 ASP A 64 -4.587 -0.528 -12.201 1.00 0.00 O ATOM 1041 OD2 ASP A 64 -6.079 0.966 -12.862 1.00 0.00 O ATOM 0 H ASP A 64 -5.188 0.774 -7.747 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.892 -0.257 -9.937 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.975 1.955 -10.594 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.355 1.350 -10.306 1.00 0.00 H new ATOM 1046 N LYS A 65 -5.460 -2.273 -10.087 1.00 0.00 N ATOM 1047 CA LYS A 65 -4.847 -3.577 -9.902 1.00 0.00 C ATOM 1048 C LYS A 65 -3.388 -3.608 -10.344 1.00 0.00 C ATOM 1049 O LYS A 65 -2.585 -4.302 -9.726 1.00 0.00 O ATOM 1050 CB LYS A 65 -5.638 -4.632 -10.683 1.00 0.00 C ATOM 1051 CG LYS A 65 -7.083 -4.720 -10.179 1.00 0.00 C ATOM 1052 CD LYS A 65 -7.839 -5.846 -10.884 1.00 0.00 C ATOM 1053 CE LYS A 65 -7.905 -5.617 -12.396 1.00 0.00 C ATOM 1054 NZ LYS A 65 -8.687 -6.676 -13.064 1.00 0.00 N ATOM 0 H LYS A 65 -6.225 -2.266 -10.762 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.869 -3.795 -8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.634 -4.383 -11.744 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.154 -5.603 -10.582 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.087 -4.892 -9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.591 -3.771 -10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.349 -6.798 -10.680 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.849 -5.915 -10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.356 -4.646 -12.600 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.896 -5.593 -12.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.714 -6.494 -14.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.242 -7.599 -12.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.656 -6.682 -12.687 1.00 0.00 H new ATOM 1068 N ARG A 66 -3.023 -2.870 -11.398 1.00 0.00 N ATOM 1069 CA ARG A 66 -1.678 -3.004 -11.946 1.00 0.00 C ATOM 1070 C ARG A 66 -0.636 -2.486 -10.954 1.00 0.00 C ATOM 1071 O ARG A 66 0.426 -3.088 -10.789 1.00 0.00 O ATOM 1072 CB ARG A 66 -1.602 -2.290 -13.301 1.00 0.00 C ATOM 1073 CG ARG A 66 -1.405 -0.775 -13.162 1.00 0.00 C ATOM 1074 CD ARG A 66 -1.762 -0.062 -14.466 1.00 0.00 C ATOM 1075 NE ARG A 66 -3.216 0.090 -14.575 1.00 0.00 N ATOM 1076 CZ ARG A 66 -3.868 0.474 -15.672 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -3.220 0.697 -16.816 1.00 0.00 N ATOM 1078 NH2 ARG A 66 -5.186 0.636 -15.626 1.00 0.00 N ATOM 0 H ARG A 66 -3.622 -2.195 -11.873 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.453 -4.058 -12.112 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.779 -2.707 -13.881 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.517 -2.483 -13.861 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.027 -0.395 -12.352 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.370 -0.561 -12.896 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.283 0.917 -14.498 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.383 -0.630 -15.316 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.773 -0.114 -13.745 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.208 0.574 -16.861 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.736 0.990 -17.646 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.691 0.467 -14.756 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.693 0.930 -16.461 1.00 0.00 H new ATOM 1092 N ASP A 67 -0.942 -1.368 -10.292 1.00 0.00 N ATOM 1093 CA ASP A 67 -0.009 -0.770 -9.346 1.00 0.00 C ATOM 1094 C ASP A 67 -0.245 -1.335 -7.949 1.00 0.00 C ATOM 1095 O ASP A 67 0.621 -1.205 -7.082 1.00 0.00 O ATOM 1096 CB ASP A 67 -0.122 0.759 -9.378 1.00 0.00 C ATOM 1097 CG ASP A 67 -1.569 1.233 -9.415 1.00 0.00 C ATOM 1098 OD1 ASP A 67 -2.207 1.245 -8.340 1.00 0.00 O ATOM 1099 OD2 ASP A 67 -2.022 1.581 -10.528 1.00 0.00 O ATOM 0 H ASP A 67 -1.823 -0.865 -10.395 1.00 0.00 H new ATOM 0 HA ASP A 67 1.011 -1.024 -9.635 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.372 1.176 -8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.405 1.141 -10.252 1.00 0.00 H new ATOM 1104 N ALA A 68 -1.403 -1.962 -7.723 1.00 0.00 N ATOM 1105 CA ALA A 68 -1.657 -2.633 -6.467 1.00 0.00 C ATOM 1106 C ALA A 68 -0.906 -3.963 -6.412 1.00 0.00 C ATOM 1107 O ALA A 68 -0.403 -4.344 -5.353 1.00 0.00 O ATOM 1108 CB ALA A 68 -3.157 -2.865 -6.311 1.00 0.00 C ATOM 0 H ALA A 68 -2.168 -2.013 -8.395 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.303 -2.007 -5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.351 -3.371 -5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.677 -1.907 -6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.517 -3.483 -7.133 1.00 0.00 H new ATOM 1114 N GLU A 69 -0.820 -4.677 -7.535 1.00 0.00 N ATOM 1115 CA GLU A 69 -0.093 -5.936 -7.568 1.00 0.00 C ATOM 1116 C GLU A 69 1.409 -5.686 -7.490 1.00 0.00 C ATOM 1117 O GLU A 69 2.127 -6.493 -6.902 1.00 0.00 O ATOM 1118 CB GLU A 69 -0.418 -6.725 -8.834 1.00 0.00 C ATOM 1119 CG GLU A 69 -1.845 -7.267 -8.802 1.00 0.00 C ATOM 1120 CD GLU A 69 -2.116 -8.128 -10.033 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -2.570 -7.556 -11.049 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -1.867 -9.351 -9.948 1.00 0.00 O ATOM 0 H GLU A 69 -1.242 -4.405 -8.423 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.405 -6.523 -6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.290 -6.084 -9.707 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.284 -7.552 -8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.996 -7.857 -7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.554 -6.440 -8.766 1.00 0.00 H new ATOM 1129 N ASP A 70 1.898 -4.589 -8.076 1.00 0.00 N ATOM 1130 CA ASP A 70 3.313 -4.262 -7.956 1.00 0.00 C ATOM 1131 C ASP A 70 3.652 -3.802 -6.541 1.00 0.00 C ATOM 1132 O ASP A 70 4.696 -4.172 -5.998 1.00 0.00 O ATOM 1133 CB ASP A 70 3.661 -3.132 -8.923 1.00 0.00 C ATOM 1134 CG ASP A 70 3.762 -3.599 -10.375 1.00 0.00 C ATOM 1135 OD1 ASP A 70 3.965 -4.815 -10.590 1.00 0.00 O ATOM 1136 OD2 ASP A 70 3.641 -2.729 -11.266 1.00 0.00 O ATOM 0 H ASP A 70 1.347 -3.929 -8.625 1.00 0.00 H new ATOM 0 HA ASP A 70 3.886 -5.160 -8.189 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.903 -2.352 -8.850 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.609 -2.684 -8.624 1.00 0.00 H new ATOM 1141 N ALA A 71 2.780 -2.997 -5.933 1.00 0.00 N ATOM 1142 CA ALA A 71 3.059 -2.428 -4.632 1.00 0.00 C ATOM 1143 C ALA A 71 3.254 -3.525 -3.593 1.00 0.00 C ATOM 1144 O ALA A 71 4.117 -3.396 -2.729 1.00 0.00 O ATOM 1145 CB ALA A 71 1.924 -1.491 -4.221 1.00 0.00 C ATOM 0 H ALA A 71 1.878 -2.730 -6.327 1.00 0.00 H new ATOM 0 HA ALA A 71 3.984 -1.855 -4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.140 -1.066 -3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.832 -0.688 -4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.989 -2.050 -4.176 1.00 0.00 H new ATOM 1151 N MET A 72 2.472 -4.609 -3.652 1.00 0.00 N ATOM 1152 CA MET A 72 2.631 -5.668 -2.660 1.00 0.00 C ATOM 1153 C MET A 72 3.800 -6.577 -3.036 1.00 0.00 C ATOM 1154 O MET A 72 4.442 -7.146 -2.160 1.00 0.00 O ATOM 1155 CB MET A 72 1.341 -6.475 -2.520 1.00 0.00 C ATOM 1156 CG MET A 72 1.087 -7.291 -3.778 1.00 0.00 C ATOM 1157 SD MET A 72 -0.479 -8.199 -3.790 1.00 0.00 S ATOM 1158 CE MET A 72 -0.228 -9.101 -5.343 1.00 0.00 C ATOM 0 H MET A 72 1.748 -4.771 -4.352 1.00 0.00 H new ATOM 0 HA MET A 72 2.848 -5.208 -1.696 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.411 -7.137 -1.657 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.502 -5.803 -2.339 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.110 -6.623 -4.639 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.904 -8.002 -3.904 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.179 -9.194 -5.868 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.480 -8.558 -5.969 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.166 -10.094 -5.127 1.00 0.00 H new ATOM 1168 N ASP A 73 4.088 -6.714 -4.332 1.00 0.00 N ATOM 1169 CA ASP A 73 5.195 -7.532 -4.801 1.00 0.00 C ATOM 1170 C ASP A 73 6.544 -6.905 -4.442 1.00 0.00 C ATOM 1171 O ASP A 73 7.584 -7.548 -4.591 1.00 0.00 O ATOM 1172 CB ASP A 73 5.061 -7.714 -6.313 1.00 0.00 C ATOM 1173 CG ASP A 73 6.140 -8.637 -6.873 1.00 0.00 C ATOM 1174 OD1 ASP A 73 6.126 -9.834 -6.503 1.00 0.00 O ATOM 1175 OD2 ASP A 73 6.971 -8.143 -7.669 1.00 0.00 O ATOM 0 H ASP A 73 3.560 -6.261 -5.078 1.00 0.00 H new ATOM 0 HA ASP A 73 5.158 -8.504 -4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.078 -8.123 -6.544 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.125 -6.742 -6.803 1.00 0.00 H new ATOM 1180 N ALA A 74 6.543 -5.651 -3.971 1.00 0.00 N ATOM 1181 CA ALA A 74 7.774 -4.952 -3.642 1.00 0.00 C ATOM 1182 C ALA A 74 7.750 -4.271 -2.269 1.00 0.00 C ATOM 1183 O ALA A 74 8.778 -3.747 -1.838 1.00 0.00 O ATOM 1184 CB ALA A 74 8.011 -3.920 -4.737 1.00 0.00 C ATOM 0 H ALA A 74 5.696 -5.106 -3.812 1.00 0.00 H new ATOM 0 HA ALA A 74 8.581 -5.683 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.929 -3.371 -4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.102 -4.424 -5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.172 -3.225 -4.770 1.00 0.00 H new ATOM 1190 N MET A 75 6.604 -4.267 -1.582 1.00 0.00 N ATOM 1191 CA MET A 75 6.523 -3.731 -0.223 1.00 0.00 C ATOM 1192 C MET A 75 6.009 -4.751 0.795 1.00 0.00 C ATOM 1193 O MET A 75 6.321 -4.625 1.977 1.00 0.00 O ATOM 1194 CB MET A 75 5.597 -2.510 -0.189 1.00 0.00 C ATOM 1195 CG MET A 75 6.151 -1.274 -0.899 1.00 0.00 C ATOM 1196 SD MET A 75 7.060 -0.158 0.201 1.00 0.00 S ATOM 1197 CE MET A 75 6.866 1.386 -0.723 1.00 0.00 C ATOM 0 H MET A 75 5.722 -4.628 -1.945 1.00 0.00 H new ATOM 0 HA MET A 75 7.541 -3.459 0.055 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.645 -2.779 -0.646 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.391 -2.255 0.851 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.810 -1.593 -1.706 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.327 -0.728 -1.358 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.684 2.206 -0.028 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.775 1.587 -1.291 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.023 1.297 -1.408 1.00 0.00 H new ATOM 1207 N ASP A 76 5.236 -5.764 0.388 1.00 0.00 N ATOM 1208 CA ASP A 76 4.783 -6.750 1.353 1.00 0.00 C ATOM 1209 C ASP A 76 5.979 -7.558 1.855 1.00 0.00 C ATOM 1210 O ASP A 76 6.704 -8.161 1.064 1.00 0.00 O ATOM 1211 CB ASP A 76 3.735 -7.678 0.738 1.00 0.00 C ATOM 1212 CG ASP A 76 3.132 -8.582 1.805 1.00 0.00 C ATOM 1213 OD1 ASP A 76 2.692 -8.033 2.841 1.00 0.00 O ATOM 1214 OD2 ASP A 76 3.116 -9.812 1.581 1.00 0.00 O ATOM 0 H ASP A 76 4.924 -5.914 -0.571 1.00 0.00 H new ATOM 0 HA ASP A 76 4.318 -6.231 2.192 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.949 -7.087 0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.191 -8.284 -0.045 1.00 0.00 H new ATOM 1219 N GLY A 77 6.185 -7.565 3.175 1.00 0.00 N ATOM 1220 CA GLY A 77 7.278 -8.297 3.798 1.00 0.00 C ATOM 1221 C GLY A 77 8.590 -7.516 3.763 1.00 0.00 C ATOM 1222 O GLY A 77 9.617 -8.018 4.221 1.00 0.00 O ATOM 0 H GLY A 77 5.595 -7.061 3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.019 -8.522 4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.411 -9.251 3.288 1.00 0.00 H new ATOM 1226 N ALA A 78 8.563 -6.293 3.225 1.00 0.00 N ATOM 1227 CA ALA A 78 9.735 -5.434 3.151 1.00 0.00 C ATOM 1228 C ALA A 78 10.135 -4.916 4.539 1.00 0.00 C ATOM 1229 O ALA A 78 9.574 -5.336 5.553 1.00 0.00 O ATOM 1230 CB ALA A 78 9.445 -4.271 2.199 1.00 0.00 C ATOM 0 H ALA A 78 7.721 -5.875 2.829 1.00 0.00 H new ATOM 0 HA ALA A 78 10.575 -6.014 2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.320 -3.623 2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.214 -4.661 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.595 -3.699 2.571 1.00 0.00 H new ATOM 1236 N VAL A 79 11.107 -4.006 4.576 1.00 0.00 N ATOM 1237 CA VAL A 79 11.637 -3.455 5.819 1.00 0.00 C ATOM 1238 C VAL A 79 11.753 -1.937 5.693 1.00 0.00 C ATOM 1239 O VAL A 79 11.991 -1.417 4.603 1.00 0.00 O ATOM 1240 CB VAL A 79 13.007 -4.092 6.108 1.00 0.00 C ATOM 1241 CG1 VAL A 79 13.628 -3.539 7.387 1.00 0.00 C ATOM 1242 CG2 VAL A 79 12.866 -5.608 6.252 1.00 0.00 C ATOM 0 H VAL A 79 11.551 -3.629 3.739 1.00 0.00 H new ATOM 0 HA VAL A 79 10.966 -3.680 6.648 1.00 0.00 H new ATOM 0 HB VAL A 79 13.657 -3.850 5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.595 -4.013 7.557 1.00 0.00 H new ATOM 0 HG12 VAL A 79 13.765 -2.462 7.289 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.969 -3.746 8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.843 -6.046 6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.188 -5.834 7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.467 -6.026 5.328 1.00 0.00 H new ATOM 1252 N LEU A 80 11.581 -1.230 6.817 1.00 0.00 N ATOM 1253 CA LEU A 80 11.666 0.227 6.853 1.00 0.00 C ATOM 1254 C LEU A 80 12.918 0.654 7.618 1.00 0.00 C ATOM 1255 O LEU A 80 13.719 1.435 7.109 1.00 0.00 O ATOM 1256 CB LEU A 80 10.392 0.746 7.534 1.00 0.00 C ATOM 1257 CG LEU A 80 10.136 2.254 7.434 1.00 0.00 C ATOM 1258 CD1 LEU A 80 11.178 3.103 8.166 1.00 0.00 C ATOM 1259 CD2 LEU A 80 10.069 2.704 5.976 1.00 0.00 C ATOM 0 H LEU A 80 11.380 -1.655 7.722 1.00 0.00 H new ATOM 0 HA LEU A 80 11.741 0.643 5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.537 0.224 7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.433 0.475 8.589 1.00 0.00 H new ATOM 0 HG LEU A 80 9.176 2.415 7.925 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.932 4.159 8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.180 2.843 9.225 1.00 0.00 H new ATOM 0 HD13 LEU A 80 12.165 2.912 7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.886 3.778 5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 80 11.013 2.477 5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.259 2.179 5.470 1.00 0.00 H new ATOM 1271 N ASP A 81 13.084 0.142 8.841 1.00 0.00 N ATOM 1272 CA ASP A 81 14.235 0.471 9.677 1.00 0.00 C ATOM 1273 C ASP A 81 14.769 -0.752 10.436 1.00 0.00 C ATOM 1274 O ASP A 81 15.784 -0.658 11.124 1.00 0.00 O ATOM 1275 CB ASP A 81 13.828 1.590 10.641 1.00 0.00 C ATOM 1276 CG ASP A 81 15.010 2.103 11.460 1.00 0.00 C ATOM 1277 OD1 ASP A 81 15.971 2.600 10.832 1.00 0.00 O ATOM 1278 OD2 ASP A 81 14.947 1.993 12.706 1.00 0.00 O ATOM 0 H ASP A 81 12.428 -0.507 9.274 1.00 0.00 H new ATOM 0 HA ASP A 81 15.052 0.808 9.039 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.395 2.415 10.075 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.053 1.223 11.314 1.00 0.00 H new ATOM 1283 N GLY A 82 14.094 -1.899 10.320 1.00 0.00 N ATOM 1284 CA GLY A 82 14.536 -3.135 10.953 1.00 0.00 C ATOM 1285 C GLY A 82 13.371 -4.075 11.264 1.00 0.00 C ATOM 1286 O GLY A 82 13.589 -5.248 11.557 1.00 0.00 O ATOM 0 H GLY A 82 13.230 -1.992 9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.245 -3.642 10.299 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.066 -2.899 11.876 1.00 0.00 H new ATOM 1290 N ARG A 83 12.136 -3.563 11.198 1.00 0.00 N ATOM 1291 CA ARG A 83 10.936 -4.355 11.420 1.00 0.00 C ATOM 1292 C ARG A 83 10.443 -4.927 10.097 1.00 0.00 C ATOM 1293 O ARG A 83 11.205 -5.072 9.147 1.00 0.00 O ATOM 1294 CB ARG A 83 9.858 -3.502 12.093 1.00 0.00 C ATOM 1295 CG ARG A 83 9.421 -2.321 11.227 1.00 0.00 C ATOM 1296 CD ARG A 83 8.069 -1.798 11.709 1.00 0.00 C ATOM 1297 NE ARG A 83 8.080 -1.495 13.148 1.00 0.00 N ATOM 1298 CZ ARG A 83 7.004 -1.590 13.931 1.00 0.00 C ATOM 1299 NH1 ARG A 83 5.828 -1.938 13.419 1.00 0.00 N ATOM 1300 NH2 ARG A 83 7.098 -1.341 15.231 1.00 0.00 N ATOM 0 H ARG A 83 11.948 -2.583 10.988 1.00 0.00 H new ATOM 0 HA ARG A 83 11.169 -5.186 12.086 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.992 -4.126 12.315 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.236 -3.130 13.045 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.166 -1.527 11.275 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.351 -2.629 10.184 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.807 -0.899 11.151 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.297 -2.539 11.500 1.00 0.00 H new ATOM 0 HE ARG A 83 8.959 -1.196 13.571 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.744 -2.134 12.422 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.009 -2.009 14.023 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.996 -1.076 15.636 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.272 -1.415 15.825 1.00 0.00 H new ATOM 1314 N GLU A 84 9.154 -5.252 10.047 1.00 0.00 N ATOM 1315 CA GLU A 84 8.520 -5.788 8.857 1.00 0.00 C ATOM 1316 C GLU A 84 7.476 -4.808 8.351 1.00 0.00 C ATOM 1317 O GLU A 84 7.099 -3.874 9.056 1.00 0.00 O ATOM 1318 CB GLU A 84 7.848 -7.120 9.181 1.00 0.00 C ATOM 1319 CG GLU A 84 8.890 -8.224 9.347 1.00 0.00 C ATOM 1320 CD GLU A 84 8.222 -9.592 9.506 1.00 0.00 C ATOM 1321 OE1 GLU A 84 7.489 -9.992 8.574 1.00 0.00 O ATOM 1322 OE2 GLU A 84 8.449 -10.225 10.560 1.00 0.00 O ATOM 0 H GLU A 84 8.520 -5.148 10.839 1.00 0.00 H new ATOM 0 HA GLU A 84 9.278 -5.944 8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.263 -7.025 10.096 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.153 -7.386 8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.552 -8.237 8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.510 -8.015 10.219 1.00 0.00 H new ATOM 1329 N LEU A 85 7.009 -5.030 7.124 1.00 0.00 N ATOM 1330 CA LEU A 85 5.996 -4.204 6.489 1.00 0.00 C ATOM 1331 C LEU A 85 4.965 -5.130 5.857 1.00 0.00 C ATOM 1332 O LEU A 85 5.242 -6.306 5.631 1.00 0.00 O ATOM 1333 CB LEU A 85 6.651 -3.297 5.441 1.00 0.00 C ATOM 1334 CG LEU A 85 7.638 -2.298 6.051 1.00 0.00 C ATOM 1335 CD1 LEU A 85 8.266 -1.484 4.920 1.00 0.00 C ATOM 1336 CD2 LEU A 85 6.938 -1.347 7.021 1.00 0.00 C ATOM 0 H LEU A 85 7.331 -5.801 6.539 1.00 0.00 H new ATOM 0 HA LEU A 85 5.503 -3.560 7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.172 -3.914 4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.875 -2.752 4.904 1.00 0.00 H new ATOM 0 HG LEU A 85 8.398 -2.850 6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 85 8.973 -0.766 5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.789 -2.153 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.485 -0.951 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.666 -0.651 7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.165 -0.790 6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.483 -1.921 7.828 1.00 0.00 H new ATOM 1348 N ARG A 86 3.773 -4.607 5.570 1.00 0.00 N ATOM 1349 CA ARG A 86 2.664 -5.417 5.091 1.00 0.00 C ATOM 1350 C ARG A 86 1.858 -4.652 4.059 1.00 0.00 C ATOM 1351 O ARG A 86 1.630 -3.453 4.213 1.00 0.00 O ATOM 1352 CB ARG A 86 1.765 -5.763 6.278 1.00 0.00 C ATOM 1353 CG ARG A 86 2.386 -6.795 7.211 1.00 0.00 C ATOM 1354 CD ARG A 86 2.642 -8.114 6.489 1.00 0.00 C ATOM 1355 NE ARG A 86 3.079 -9.124 7.449 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.353 -9.446 7.697 1.00 0.00 C ATOM 1357 NH1 ARG A 86 5.350 -8.826 7.075 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.650 -10.399 8.578 1.00 0.00 N ATOM 0 H ARG A 86 3.554 -3.615 5.664 1.00 0.00 H new ATOM 0 HA ARG A 86 3.052 -6.325 4.629 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.549 -4.855 6.841 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.813 -6.142 5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.324 -6.409 7.611 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.724 -6.965 8.060 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.734 -8.446 5.985 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.402 -7.977 5.720 1.00 0.00 H new ATOM 0 HE ARG A 86 2.357 -9.622 7.970 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.149 -8.092 6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.316 -9.084 7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.903 -10.890 9.070 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.624 -10.638 8.761 1.00 0.00 H new ATOM 1372 N VAL A 87 1.433 -5.357 3.009 1.00 0.00 N ATOM 1373 CA VAL A 87 0.639 -4.790 1.931 1.00 0.00 C ATOM 1374 C VAL A 87 -0.250 -5.883 1.349 1.00 0.00 C ATOM 1375 O VAL A 87 0.251 -6.903 0.876 1.00 0.00 O ATOM 1376 CB VAL A 87 1.557 -4.244 0.835 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.708 -3.620 -0.264 1.00 0.00 C ATOM 1378 CG2 VAL A 87 2.520 -3.191 1.382 1.00 0.00 C ATOM 0 H VAL A 87 1.636 -6.349 2.887 1.00 0.00 H new ATOM 0 HA VAL A 87 0.028 -3.975 2.318 1.00 0.00 H new ATOM 0 HB VAL A 87 2.146 -5.073 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.357 -3.229 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.045 -4.376 -0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.113 -2.807 0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.156 -2.826 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.952 -2.360 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.140 -3.635 2.161 1.00 0.00 H new ATOM 1388 N GLN A 88 -1.569 -5.679 1.376 1.00 0.00 N ATOM 1389 CA GLN A 88 -2.523 -6.633 0.836 1.00 0.00 C ATOM 1390 C GLN A 88 -3.866 -5.950 0.591 1.00 0.00 C ATOM 1391 O GLN A 88 -4.094 -4.833 1.050 1.00 0.00 O ATOM 1392 CB GLN A 88 -2.699 -7.817 1.796 1.00 0.00 C ATOM 1393 CG GLN A 88 -3.269 -7.412 3.160 1.00 0.00 C ATOM 1394 CD GLN A 88 -2.253 -6.668 4.023 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -1.109 -7.086 4.158 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -2.668 -5.550 4.615 1.00 0.00 N ATOM 0 H GLN A 88 -2.000 -4.845 1.775 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.140 -7.010 -0.112 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.360 -8.552 1.338 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.735 -8.303 1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.145 -6.781 3.011 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.605 -8.304 3.689 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.627 -5.229 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.027 -5.015 5.201 1.00 0.00 H new ATOM 1405 N MET A 89 -4.761 -6.623 -0.137 1.00 0.00 N ATOM 1406 CA MET A 89 -6.071 -6.070 -0.462 1.00 0.00 C ATOM 1407 C MET A 89 -6.872 -5.800 0.815 1.00 0.00 C ATOM 1408 O MET A 89 -6.710 -6.491 1.819 1.00 0.00 O ATOM 1409 CB MET A 89 -6.813 -7.018 -1.414 1.00 0.00 C ATOM 1410 CG MET A 89 -6.170 -7.001 -2.806 1.00 0.00 C ATOM 1411 SD MET A 89 -4.486 -7.662 -2.913 1.00 0.00 S ATOM 1412 CE MET A 89 -4.030 -7.055 -4.558 1.00 0.00 C ATOM 0 H MET A 89 -4.597 -7.557 -0.513 1.00 0.00 H new ATOM 0 HA MET A 89 -5.945 -5.114 -0.970 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.796 -8.031 -1.012 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.859 -6.722 -1.488 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.806 -7.570 -3.485 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.159 -5.972 -3.166 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.985 -6.746 -4.555 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.172 -7.849 -5.291 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.659 -6.204 -4.819 1.00 0.00 H new ATOM 1422 N ALA A 90 -7.741 -4.785 0.769 1.00 0.00 N ATOM 1423 CA ALA A 90 -8.503 -4.343 1.931 1.00 0.00 C ATOM 1424 C ALA A 90 -9.673 -5.278 2.243 1.00 0.00 C ATOM 1425 O ALA A 90 -9.919 -6.243 1.517 1.00 0.00 O ATOM 1426 CB ALA A 90 -9.007 -2.921 1.691 1.00 0.00 C ATOM 0 H ALA A 90 -7.933 -4.249 -0.078 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.842 -4.362 2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.577 -2.586 2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.158 -2.255 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.646 -2.906 0.808 1.00 0.00 H new ATOM 1432 N ARG A 91 -10.394 -4.975 3.326 1.00 0.00 N ATOM 1433 CA ARG A 91 -11.549 -5.740 3.779 1.00 0.00 C ATOM 1434 C ARG A 91 -12.696 -4.813 4.181 1.00 0.00 C ATOM 1435 O ARG A 91 -12.532 -3.594 4.250 1.00 0.00 O ATOM 1436 CB ARG A 91 -11.157 -6.576 5.002 1.00 0.00 C ATOM 1437 CG ARG A 91 -10.067 -7.599 4.691 1.00 0.00 C ATOM 1438 CD ARG A 91 -9.592 -8.272 5.982 1.00 0.00 C ATOM 1439 NE ARG A 91 -10.696 -8.934 6.689 1.00 0.00 N ATOM 1440 CZ ARG A 91 -11.148 -10.165 6.432 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -10.604 -10.908 5.475 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -12.159 -10.660 7.142 1.00 0.00 N ATOM 0 H ARG A 91 -10.183 -4.174 3.921 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.875 -6.380 2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.812 -5.913 5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.038 -7.094 5.381 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.449 -8.350 4.000 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.228 -7.109 4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.819 -9.004 5.747 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.137 -7.527 6.635 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.154 -8.412 7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.829 -10.541 4.923 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.961 -11.846 5.292 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.586 -10.100 7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -12.506 -11.599 6.948 1.00 0.00 H new ATOM 1456 N TYR A 92 -13.858 -5.417 4.450 1.00 0.00 N ATOM 1457 CA TYR A 92 -15.062 -4.744 4.920 1.00 0.00 C ATOM 1458 C TYR A 92 -15.467 -3.546 4.053 1.00 0.00 C ATOM 1459 O TYR A 92 -14.982 -3.386 2.932 1.00 0.00 O ATOM 1460 CB TYR A 92 -14.858 -4.357 6.387 1.00 0.00 C ATOM 1461 CG TYR A 92 -14.344 -5.501 7.231 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -15.110 -6.668 7.372 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -13.093 -5.400 7.857 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -14.622 -7.742 8.134 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -12.602 -6.466 8.623 1.00 0.00 C ATOM 1466 CZ TYR A 92 -13.360 -7.645 8.760 1.00 0.00 C ATOM 1467 OH TYR A 92 -12.881 -8.688 9.496 1.00 0.00 O ATOM 0 H TYR A 92 -13.985 -6.423 4.341 1.00 0.00 H new ATOM 0 HA TYR A 92 -15.901 -5.435 4.835 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -14.155 -3.526 6.444 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -15.803 -4.004 6.799 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -16.076 -6.740 6.894 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.507 -4.499 7.749 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.211 -8.641 8.241 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.641 -6.383 9.109 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.000 -8.457 9.856 1.00 0.00 H new ATOM 1477 N GLY A 93 -16.363 -2.702 4.577 1.00 0.00 N ATOM 1478 CA GLY A 93 -16.866 -1.530 3.873 1.00 0.00 C ATOM 1479 C GLY A 93 -16.758 -0.268 4.727 1.00 0.00 C ATOM 1480 O GLY A 93 -17.353 0.747 4.369 1.00 0.00 O ATOM 0 H GLY A 93 -16.759 -2.819 5.510 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.305 -1.393 2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -17.907 -1.692 3.594 1.00 0.00 H new ATOM 1484 N ARG A 94 -16.000 -0.370 5.834 1.00 0.00 N ATOM 1485 CA ARG A 94 -15.618 0.644 6.820 1.00 0.00 C ATOM 1486 C ARG A 94 -16.137 0.250 8.205 1.00 0.00 C ATOM 1487 O ARG A 94 -17.140 -0.456 8.295 1.00 0.00 O ATOM 1488 CB ARG A 94 -16.059 2.053 6.429 1.00 0.00 C ATOM 1489 CG ARG A 94 -15.196 2.551 5.268 1.00 0.00 C ATOM 1490 CD ARG A 94 -15.665 3.924 4.792 1.00 0.00 C ATOM 1491 NE ARG A 94 -15.460 4.943 5.822 1.00 0.00 N ATOM 1492 CZ ARG A 94 -15.933 6.187 5.778 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -16.670 6.598 4.750 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -15.666 7.025 6.771 1.00 0.00 N ATOM 0 H ARG A 94 -15.596 -1.273 6.083 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.529 0.677 6.850 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.110 2.050 6.140 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.964 2.725 7.282 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.154 2.607 5.582 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.243 1.840 4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.122 4.203 3.889 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.722 3.878 4.528 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.910 4.679 6.640 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.879 5.958 3.984 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -17.027 7.553 4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.101 6.715 7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.025 7.979 6.744 1.00 0.00 H new ATOM 1508 N PRO A 95 -15.460 0.693 9.276 1.00 0.00 N ATOM 1509 CA PRO A 95 -15.757 0.353 10.659 1.00 0.00 C ATOM 1510 C PRO A 95 -17.247 0.382 11.013 1.00 0.00 C ATOM 1511 O PRO A 95 -17.846 1.455 11.074 1.00 0.00 O ATOM 1512 CB PRO A 95 -14.968 1.349 11.507 1.00 0.00 C ATOM 1513 CG PRO A 95 -13.762 1.675 10.633 1.00 0.00 C ATOM 1514 CD PRO A 95 -14.299 1.559 9.209 1.00 0.00 C ATOM 0 HA PRO A 95 -15.469 -0.681 10.847 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.555 2.240 11.731 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.668 0.916 12.461 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.380 2.676 10.836 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.942 0.979 10.809 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.568 2.539 8.815 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.543 1.144 8.542 1.00 0.00 H new ATOM 1522 N PRO A 96 -17.858 -0.787 11.247 1.00 0.00 N ATOM 1523 CA PRO A 96 -19.250 -0.909 11.644 1.00 0.00 C ATOM 1524 C PRO A 96 -19.454 -0.726 13.150 1.00 0.00 C ATOM 1525 O PRO A 96 -20.594 -0.643 13.607 1.00 0.00 O ATOM 1526 CB PRO A 96 -19.615 -2.339 11.252 1.00 0.00 C ATOM 1527 CG PRO A 96 -18.321 -3.103 11.505 1.00 0.00 C ATOM 1528 CD PRO A 96 -17.242 -2.098 11.121 1.00 0.00 C ATOM 0 HA PRO A 96 -19.863 -0.143 11.169 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -20.437 -2.726 11.855 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -19.926 -2.405 10.209 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -18.232 -3.411 12.547 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -18.263 -4.008 10.900 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -16.375 -2.187 11.775 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -16.893 -2.270 10.103 1.00 0.00 H new ATOM 1536 N ASP A 97 -18.364 -0.663 13.925 1.00 0.00 N ATOM 1537 CA ASP A 97 -18.420 -0.617 15.383 1.00 0.00 C ATOM 1538 C ASP A 97 -17.329 0.291 15.963 1.00 0.00 C ATOM 1539 O ASP A 97 -16.670 -0.074 16.936 1.00 0.00 O ATOM 1540 CB ASP A 97 -18.306 -2.039 15.949 1.00 0.00 C ATOM 1541 CG ASP A 97 -19.543 -2.874 15.643 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -20.593 -2.592 16.263 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -19.433 -3.789 14.792 1.00 0.00 O ATOM 0 H ASP A 97 -17.415 -0.643 13.551 1.00 0.00 H new ATOM 0 HA ASP A 97 -19.380 -0.191 15.676 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -17.426 -2.527 15.530 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -18.159 -1.989 17.028 1.00 0.00 H new ATOM 1548 N SER A 98 -17.139 1.473 15.367 1.00 0.00 N ATOM 1549 CA SER A 98 -16.176 2.456 15.855 1.00 0.00 C ATOM 1550 C SER A 98 -16.780 3.853 15.823 1.00 0.00 C ATOM 1551 O SER A 98 -17.914 4.039 15.376 1.00 0.00 O ATOM 1552 CB SER A 98 -14.908 2.424 14.999 1.00 0.00 C ATOM 1553 OG SER A 98 -14.269 1.169 15.125 1.00 0.00 O ATOM 0 H SER A 98 -17.649 1.771 14.535 1.00 0.00 H new ATOM 0 HA SER A 98 -15.920 2.204 16.884 1.00 0.00 H new ATOM 0 HB2 SER A 98 -15.160 2.610 13.955 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.230 3.219 15.309 1.00 0.00 H new ATOM 0 HG SER A 98 -13.460 1.157 14.573 1.00 0.00 H new