USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 713 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 48 SER OG : rot 170:sc= -0.822 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 34 GLN : amide:sc= -2.34 K(o=-2.4,f=-4.9!) USER MOD Set 2.2: A 82 THR OG1 : rot 180:sc= -0.04 USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.0229 (180deg=0) USER MOD Single : A 3 MET CE :methyl -177:sc= 0 (180deg=-0.0156) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 141:sc= -0.521 (180deg=-1.65) USER MOD Single : A 18 CYS SG : rot 150:sc= -0.419 USER MOD Single : A 23 THR OG1 : rot -51:sc= 1.28 USER MOD Single : A 24 MET CE :methyl 162:sc= -7.6! (180deg=-9.07!) USER MOD Single : A 27 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.008) USER MOD Single : A 32 LYS NZ :NH3+ -161:sc= -0.116 (180deg=-0.529) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00883 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.0038) USER MOD Single : A 65 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-2.2!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.232 K(o=-0.23,f=-3.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.872 5.064 -10.163 1.00 63.35 N ATOM 2 CA GLY A 1 -3.434 5.112 -10.355 1.00 20.43 C ATOM 3 C GLY A 1 -2.772 3.769 -10.116 1.00 33.14 C ATOM 4 O GLY A 1 -3.205 3.000 -9.257 1.00 41.34 O ATOM 0 H1 GLY A 1 -5.191 5.943 -9.709 1.00 63.35 H new ATOM 0 H2 GLY A 1 -5.342 4.960 -11.085 1.00 63.35 H new ATOM 0 H3 GLY A 1 -5.115 4.254 -9.558 1.00 63.35 H new ATOM 0 HA2 GLY A 1 -3.217 5.445 -11.370 1.00 20.43 H new ATOM 0 HA3 GLY A 1 -3.005 5.851 -9.678 1.00 20.43 H new ATOM 8 N ALA A 2 -1.721 3.485 -10.878 1.00 31.05 N ATOM 9 CA ALA A 2 -0.999 2.226 -10.744 1.00 5.10 C ATOM 10 C ALA A 2 -0.212 2.180 -9.438 1.00 54.31 C ATOM 11 O ALA A 2 -0.491 1.361 -8.564 1.00 32.35 O ATOM 12 CB ALA A 2 -0.067 2.024 -11.930 1.00 75.42 C ATOM 0 H ALA A 2 -1.351 4.110 -11.594 1.00 31.05 H new ATOM 0 HA ALA A 2 -1.729 1.417 -10.727 1.00 5.10 H new ATOM 0 HB1 ALA A 2 0.466 1.080 -11.817 1.00 75.42 H new ATOM 0 HB2 ALA A 2 -0.649 2.004 -12.851 1.00 75.42 H new ATOM 0 HB3 ALA A 2 0.651 2.843 -11.972 1.00 75.42 H new ATOM 18 N MET A 3 0.771 3.065 -9.314 1.00 4.13 N ATOM 19 CA MET A 3 1.598 3.125 -8.113 1.00 54.05 C ATOM 20 C MET A 3 1.516 4.504 -7.465 1.00 71.55 C ATOM 21 O MET A 3 2.316 5.389 -7.766 1.00 55.21 O ATOM 22 CB MET A 3 3.052 2.793 -8.453 1.00 1.44 C ATOM 23 CG MET A 3 3.306 1.308 -8.652 1.00 2.12 C ATOM 24 SD MET A 3 4.534 0.979 -9.931 1.00 34.21 S ATOM 25 CE MET A 3 3.526 0.158 -11.164 1.00 1.23 C ATOM 0 H MET A 3 1.015 3.750 -10.029 1.00 4.13 H new ATOM 0 HA MET A 3 1.221 2.388 -7.404 1.00 54.05 H new ATOM 0 HB2 MET A 3 3.335 3.326 -9.360 1.00 1.44 H new ATOM 0 HB3 MET A 3 3.696 3.159 -7.654 1.00 1.44 H new ATOM 0 HG2 MET A 3 3.641 0.871 -7.711 1.00 2.12 H new ATOM 0 HG3 MET A 3 2.370 0.816 -8.917 1.00 2.12 H new ATOM 0 HE1 MET A 3 4.155 -0.157 -11.997 1.00 1.23 H new ATOM 0 HE2 MET A 3 3.048 -0.715 -10.720 1.00 1.23 H new ATOM 0 HE3 MET A 3 2.762 0.846 -11.526 1.00 1.23 H new ATOM 35 N ALA A 4 0.544 4.677 -6.576 1.00 3.55 N ATOM 36 CA ALA A 4 0.360 5.947 -5.884 1.00 51.54 C ATOM 37 C ALA A 4 0.278 7.104 -6.874 1.00 54.44 C ATOM 38 O ALA A 4 0.177 6.893 -8.083 1.00 54.41 O ATOM 39 CB ALA A 4 1.491 6.178 -4.893 1.00 51.01 C ATOM 0 H ALA A 4 -0.128 3.954 -6.318 1.00 3.55 H new ATOM 0 HA ALA A 4 -0.582 5.901 -5.338 1.00 51.54 H new ATOM 0 HB1 ALA A 4 1.340 7.130 -4.384 1.00 51.01 H new ATOM 0 HB2 ALA A 4 1.502 5.372 -4.159 1.00 51.01 H new ATOM 0 HB3 ALA A 4 2.442 6.198 -5.425 1.00 51.01 H new ATOM 45 N ARG A 5 0.321 8.327 -6.354 1.00 74.41 N ATOM 46 CA ARG A 5 0.249 9.517 -7.193 1.00 32.12 C ATOM 47 C ARG A 5 1.643 9.964 -7.622 1.00 0.50 C ATOM 48 O ARG A 5 1.845 10.397 -8.756 1.00 61.12 O ATOM 49 CB ARG A 5 -0.455 10.651 -6.446 1.00 53.30 C ATOM 50 CG ARG A 5 -1.723 10.215 -5.730 1.00 70.52 C ATOM 51 CD ARG A 5 -2.702 9.552 -6.686 1.00 74.23 C ATOM 52 NE ARG A 5 -4.091 9.790 -6.300 1.00 44.52 N ATOM 53 CZ ARG A 5 -4.738 10.924 -6.548 1.00 22.31 C ATOM 54 NH1 ARG A 5 -4.126 11.917 -7.178 1.00 65.42 N ATOM 55 NH2 ARG A 5 -6.000 11.065 -6.165 1.00 54.43 N ATOM 0 H ARG A 5 0.405 8.519 -5.356 1.00 74.41 H new ATOM 0 HA ARG A 5 -0.325 9.268 -8.086 1.00 32.12 H new ATOM 0 HB2 ARG A 5 0.235 11.078 -5.718 1.00 53.30 H new ATOM 0 HB3 ARG A 5 -0.702 11.443 -7.154 1.00 53.30 H new ATOM 0 HG2 ARG A 5 -1.469 9.521 -4.928 1.00 70.52 H new ATOM 0 HG3 ARG A 5 -2.196 11.080 -5.265 1.00 70.52 H new ATOM 0 HD2 ARG A 5 -2.536 9.930 -7.695 1.00 74.23 H new ATOM 0 HD3 ARG A 5 -2.512 8.479 -6.713 1.00 74.23 H new ATOM 0 HE ARG A 5 -4.591 9.046 -5.814 1.00 44.52 H new ATOM 0 HH11 ARG A 5 -3.156 11.812 -7.474 1.00 65.42 H new ATOM 0 HH12 ARG A 5 -4.626 12.786 -7.367 1.00 65.42 H new ATOM 0 HH21 ARG A 5 -6.474 10.303 -5.680 1.00 54.43 H new ATOM 0 HH22 ARG A 5 -6.497 11.935 -6.355 1.00 54.43 H new ATOM 69 N ALA A 6 2.601 9.858 -6.707 1.00 31.31 N ATOM 70 CA ALA A 6 3.976 10.250 -6.991 1.00 32.21 C ATOM 71 C ALA A 6 4.037 11.661 -7.566 1.00 74.32 C ATOM 72 O ALA A 6 4.805 11.932 -8.488 1.00 23.21 O ATOM 73 CB ALA A 6 4.620 9.259 -7.949 1.00 70.11 C ATOM 0 H ALA A 6 2.450 9.504 -5.762 1.00 31.31 H new ATOM 0 HA ALA A 6 4.531 10.244 -6.053 1.00 32.21 H new ATOM 0 HB1 ALA A 6 5.646 9.564 -8.152 1.00 70.11 H new ATOM 0 HB2 ALA A 6 4.619 8.266 -7.500 1.00 70.11 H new ATOM 0 HB3 ALA A 6 4.057 9.236 -8.882 1.00 70.11 H new ATOM 79 N GLU A 7 3.221 12.555 -7.016 1.00 73.23 N ATOM 80 CA GLU A 7 3.182 13.938 -7.477 1.00 71.33 C ATOM 81 C GLU A 7 4.568 14.573 -7.408 1.00 54.25 C ATOM 82 O GLU A 7 4.910 15.428 -8.224 1.00 40.52 O ATOM 83 CB GLU A 7 2.194 14.751 -6.638 1.00 72.33 C ATOM 84 CG GLU A 7 2.729 15.133 -5.269 1.00 11.33 C ATOM 85 CD GLU A 7 3.069 13.926 -4.417 1.00 35.31 C ATOM 86 OE1 GLU A 7 2.304 12.939 -4.456 1.00 12.01 O ATOM 87 OE2 GLU A 7 4.098 13.967 -3.711 1.00 40.05 O ATOM 0 H GLU A 7 2.579 12.347 -6.251 1.00 73.23 H new ATOM 0 HA GLU A 7 2.852 13.939 -8.516 1.00 71.33 H new ATOM 0 HB2 GLU A 7 1.929 15.658 -7.181 1.00 72.33 H new ATOM 0 HB3 GLU A 7 1.277 14.175 -6.513 1.00 72.33 H new ATOM 0 HG2 GLU A 7 3.620 15.750 -5.390 1.00 11.33 H new ATOM 0 HG3 GLU A 7 1.988 15.742 -4.751 1.00 11.33 H new ATOM 94 N GLU A 8 5.359 14.148 -6.429 1.00 2.34 N ATOM 95 CA GLU A 8 6.707 14.677 -6.253 1.00 33.15 C ATOM 96 C GLU A 8 7.668 14.065 -7.267 1.00 41.14 C ATOM 97 O GLU A 8 8.685 14.666 -7.617 1.00 74.11 O ATOM 98 CB GLU A 8 7.205 14.402 -4.832 1.00 13.20 C ATOM 99 CG GLU A 8 8.195 15.436 -4.324 1.00 4.12 C ATOM 100 CD GLU A 8 9.633 14.962 -4.417 1.00 53.24 C ATOM 101 OE1 GLU A 8 9.951 14.219 -5.370 1.00 11.33 O ATOM 102 OE2 GLU A 8 10.439 15.334 -3.539 1.00 71.52 O ATOM 0 H GLU A 8 5.091 13.440 -5.746 1.00 2.34 H new ATOM 0 HA GLU A 8 6.671 15.754 -6.416 1.00 33.15 H new ATOM 0 HB2 GLU A 8 6.350 14.367 -4.157 1.00 13.20 H new ATOM 0 HB3 GLU A 8 7.673 13.418 -4.804 1.00 13.20 H new ATOM 0 HG2 GLU A 8 8.081 16.355 -4.899 1.00 4.12 H new ATOM 0 HG3 GLU A 8 7.962 15.678 -3.287 1.00 4.12 H new ATOM 109 N HIS A 9 7.340 12.865 -7.736 1.00 55.45 N ATOM 110 CA HIS A 9 8.173 12.171 -8.711 1.00 42.14 C ATOM 111 C HIS A 9 7.884 12.667 -10.125 1.00 0.41 C ATOM 112 O HIS A 9 8.473 12.188 -11.094 1.00 22.41 O ATOM 113 CB HIS A 9 7.940 10.662 -8.630 1.00 42.25 C ATOM 114 CG HIS A 9 9.179 9.881 -8.315 1.00 14.10 C ATOM 115 ND1 HIS A 9 9.796 9.915 -7.082 1.00 71.54 N ATOM 116 CD2 HIS A 9 9.914 9.040 -9.080 1.00 11.53 C ATOM 117 CE1 HIS A 9 10.858 9.130 -7.103 1.00 64.32 C ATOM 118 NE2 HIS A 9 10.952 8.587 -8.304 1.00 1.03 N ATOM 0 H HIS A 9 6.503 12.353 -7.456 1.00 55.45 H new ATOM 0 HA HIS A 9 9.216 12.383 -8.477 1.00 42.14 H new ATOM 0 HB2 HIS A 9 7.189 10.459 -7.867 1.00 42.25 H new ATOM 0 HB3 HIS A 9 7.532 10.314 -9.579 1.00 42.25 H new ATOM 0 HD2 HIS A 9 9.720 8.775 -10.109 1.00 11.53 H new ATOM 0 HE1 HIS A 9 11.535 8.961 -6.279 1.00 64.32 H new ATOM 0 HE2 HIS A 9 11.678 7.937 -8.606 1.00 1.03 H new ATOM 126 N ILE A 10 6.974 13.629 -10.234 1.00 52.14 N ATOM 127 CA ILE A 10 6.607 14.190 -11.529 1.00 64.41 C ATOM 128 C ILE A 10 7.689 15.132 -12.046 1.00 12.52 C ATOM 129 O ILE A 10 8.215 14.948 -13.143 1.00 65.13 O ATOM 130 CB ILE A 10 5.271 14.951 -11.455 1.00 12.10 C ATOM 131 CG1 ILE A 10 4.190 14.069 -10.826 1.00 64.13 C ATOM 132 CG2 ILE A 10 4.846 15.411 -12.841 1.00 51.44 C ATOM 133 CD1 ILE A 10 3.968 12.767 -11.564 1.00 51.44 C ATOM 0 H ILE A 10 6.477 14.036 -9.442 1.00 52.14 H new ATOM 0 HA ILE A 10 6.499 13.352 -12.217 1.00 64.41 H new ATOM 0 HB ILE A 10 5.406 15.831 -10.827 1.00 12.10 H new ATOM 0 HG12 ILE A 10 4.466 13.850 -9.794 1.00 64.13 H new ATOM 0 HG13 ILE A 10 3.252 14.624 -10.795 1.00 64.13 H new ATOM 0 HG21 ILE A 10 3.900 15.947 -12.772 1.00 51.44 H new ATOM 0 HG22 ILE A 10 5.608 16.071 -13.255 1.00 51.44 H new ATOM 0 HG23 ILE A 10 4.725 14.544 -13.491 1.00 51.44 H new ATOM 0 HD11 ILE A 10 3.189 12.193 -11.063 1.00 51.44 H new ATOM 0 HD12 ILE A 10 3.662 12.977 -12.589 1.00 51.44 H new ATOM 0 HD13 ILE A 10 4.894 12.191 -11.573 1.00 51.44 H new ATOM 145 N TYR A 11 8.016 16.142 -11.247 1.00 45.01 N ATOM 146 CA TYR A 11 9.035 17.115 -11.624 1.00 22.24 C ATOM 147 C TYR A 11 10.020 17.343 -10.481 1.00 31.43 C ATOM 148 O TYR A 11 9.621 17.597 -9.344 1.00 72.41 O ATOM 149 CB TYR A 11 8.383 18.440 -12.021 1.00 72.02 C ATOM 150 CG TYR A 11 7.779 18.426 -13.407 1.00 71.23 C ATOM 151 CD1 TYR A 11 8.557 18.687 -14.528 1.00 52.33 C ATOM 152 CD2 TYR A 11 6.430 18.150 -13.596 1.00 22.32 C ATOM 153 CE1 TYR A 11 8.009 18.676 -15.796 1.00 50.13 C ATOM 154 CE2 TYR A 11 5.874 18.135 -14.860 1.00 60.13 C ATOM 155 CZ TYR A 11 6.667 18.399 -15.957 1.00 44.23 C ATOM 156 OH TYR A 11 6.118 18.386 -17.219 1.00 21.31 O ATOM 0 H TYR A 11 7.591 16.308 -10.335 1.00 45.01 H new ATOM 0 HA TYR A 11 9.583 16.717 -12.478 1.00 22.24 H new ATOM 0 HB2 TYR A 11 7.605 18.684 -11.297 1.00 72.02 H new ATOM 0 HB3 TYR A 11 9.129 19.233 -11.967 1.00 72.02 H new ATOM 0 HD1 TYR A 11 9.608 18.902 -14.406 1.00 52.33 H new ATOM 0 HD2 TYR A 11 5.806 17.944 -12.739 1.00 22.32 H new ATOM 0 HE1 TYR A 11 8.628 18.883 -16.657 1.00 50.13 H new ATOM 0 HE2 TYR A 11 4.824 17.918 -14.989 1.00 60.13 H new ATOM 0 HH TYR A 11 5.163 18.173 -17.158 1.00 21.31 H new ATOM 166 N ARG A 12 11.309 17.250 -10.792 1.00 13.14 N ATOM 167 CA ARG A 12 12.352 17.445 -9.792 1.00 13.33 C ATOM 168 C ARG A 12 12.402 18.900 -9.335 1.00 50.55 C ATOM 169 O ARG A 12 12.518 19.183 -8.143 1.00 74.05 O ATOM 170 CB ARG A 12 13.712 17.029 -10.355 1.00 32.24 C ATOM 171 CG ARG A 12 14.080 17.741 -11.646 1.00 25.02 C ATOM 172 CD ARG A 12 14.819 16.816 -12.601 1.00 3.34 C ATOM 173 NE ARG A 12 14.895 17.370 -13.950 1.00 3.12 N ATOM 174 CZ ARG A 12 13.856 17.445 -14.773 1.00 55.21 C ATOM 175 NH1 ARG A 12 12.666 17.004 -14.386 1.00 44.44 N ATOM 176 NH2 ARG A 12 14.004 17.963 -15.986 1.00 20.50 N ATOM 0 H ARG A 12 11.656 17.041 -11.728 1.00 13.14 H new ATOM 0 HA ARG A 12 12.116 16.820 -8.931 1.00 13.33 H new ATOM 0 HB2 ARG A 12 14.481 17.228 -9.608 1.00 32.24 H new ATOM 0 HB3 ARG A 12 13.709 15.953 -10.531 1.00 32.24 H new ATOM 0 HG2 ARG A 12 13.176 18.115 -12.127 1.00 25.02 H new ATOM 0 HG3 ARG A 12 14.703 18.606 -11.421 1.00 25.02 H new ATOM 0 HD2 ARG A 12 15.826 16.637 -12.225 1.00 3.34 H new ATOM 0 HD3 ARG A 12 14.315 15.850 -12.634 1.00 3.34 H new ATOM 0 HE ARG A 12 15.796 17.718 -14.278 1.00 3.12 H new ATOM 0 HH11 ARG A 12 12.548 16.606 -13.454 1.00 44.44 H new ATOM 0 HH12 ARG A 12 11.869 17.063 -15.020 1.00 44.44 H new ATOM 0 HH21 ARG A 12 14.917 18.304 -16.287 1.00 20.50 H new ATOM 0 HH22 ARG A 12 13.205 18.020 -16.617 1.00 20.50 H new ATOM 190 N GLU A 13 12.315 19.819 -10.293 1.00 31.13 N ATOM 191 CA GLU A 13 12.352 21.244 -9.988 1.00 40.43 C ATOM 192 C GLU A 13 11.245 21.620 -9.007 1.00 42.33 C ATOM 193 O GLU A 13 11.452 22.430 -8.103 1.00 54.42 O ATOM 194 CB GLU A 13 12.212 22.066 -11.271 1.00 43.33 C ATOM 195 CG GLU A 13 11.106 21.576 -12.190 1.00 40.55 C ATOM 196 CD GLU A 13 10.815 22.545 -13.320 1.00 54.03 C ATOM 197 OE1 GLU A 13 11.562 22.533 -14.320 1.00 44.51 O ATOM 198 OE2 GLU A 13 9.838 23.315 -13.204 1.00 32.41 O ATOM 0 H GLU A 13 12.219 19.602 -11.285 1.00 31.13 H new ATOM 0 HA GLU A 13 13.314 21.466 -9.526 1.00 40.43 H new ATOM 0 HB2 GLU A 13 12.019 23.106 -11.007 1.00 43.33 H new ATOM 0 HB3 GLU A 13 13.158 22.044 -11.812 1.00 43.33 H new ATOM 0 HG2 GLU A 13 11.388 20.610 -12.608 1.00 40.55 H new ATOM 0 HG3 GLU A 13 10.198 21.419 -11.608 1.00 40.55 H new ATOM 205 N ILE A 14 10.071 21.027 -9.194 1.00 21.35 N ATOM 206 CA ILE A 14 8.932 21.298 -8.325 1.00 41.45 C ATOM 207 C ILE A 14 9.257 20.969 -6.873 1.00 23.14 C ATOM 208 O ILE A 14 8.663 21.527 -5.951 1.00 54.10 O ATOM 209 CB ILE A 14 7.691 20.495 -8.757 1.00 61.20 C ATOM 210 CG1 ILE A 14 7.224 20.942 -10.143 1.00 55.44 C ATOM 211 CG2 ILE A 14 6.574 20.657 -7.737 1.00 51.42 C ATOM 212 CD1 ILE A 14 6.858 22.408 -10.214 1.00 15.44 C ATOM 0 H ILE A 14 9.883 20.356 -9.939 1.00 21.35 H new ATOM 0 HA ILE A 14 8.715 22.362 -8.413 1.00 41.45 H new ATOM 0 HB ILE A 14 7.959 19.440 -8.808 1.00 61.20 H new ATOM 0 HG12 ILE A 14 8.013 20.737 -10.867 1.00 55.44 H new ATOM 0 HG13 ILE A 14 6.360 20.346 -10.436 1.00 55.44 H new ATOM 0 HG21 ILE A 14 5.704 20.084 -8.056 1.00 51.42 H new ATOM 0 HG22 ILE A 14 6.912 20.293 -6.767 1.00 51.42 H new ATOM 0 HG23 ILE A 14 6.305 21.710 -7.656 1.00 51.42 H new ATOM 0 HD11 ILE A 14 6.536 22.654 -11.226 1.00 15.44 H new ATOM 0 HD12 ILE A 14 6.048 22.615 -9.515 1.00 15.44 H new ATOM 0 HD13 ILE A 14 7.726 23.013 -9.952 1.00 15.44 H new ATOM 224 N MET A 15 10.206 20.060 -6.676 1.00 24.31 N ATOM 225 CA MET A 15 10.613 19.658 -5.334 1.00 42.12 C ATOM 226 C MET A 15 10.982 20.874 -4.491 1.00 42.51 C ATOM 227 O MET A 15 10.907 20.835 -3.264 1.00 2.15 O ATOM 228 CB MET A 15 11.798 18.693 -5.405 1.00 4.41 C ATOM 229 CG MET A 15 11.489 17.404 -6.149 1.00 3.32 C ATOM 230 SD MET A 15 12.930 16.332 -6.308 1.00 60.14 S ATOM 231 CE MET A 15 13.420 16.166 -4.594 1.00 3.13 C ATOM 0 H MET A 15 10.708 19.588 -7.428 1.00 24.31 H new ATOM 0 HA MET A 15 9.770 19.153 -4.862 1.00 42.12 H new ATOM 0 HB2 MET A 15 12.634 19.193 -5.893 1.00 4.41 H new ATOM 0 HB3 MET A 15 12.119 18.450 -4.392 1.00 4.41 H new ATOM 0 HG2 MET A 15 10.698 16.867 -5.625 1.00 3.32 H new ATOM 0 HG3 MET A 15 11.108 17.644 -7.142 1.00 3.32 H new ATOM 0 HE1 MET A 15 13.747 15.143 -4.407 1.00 3.13 H new ATOM 0 HE2 MET A 15 14.239 16.854 -4.381 1.00 3.13 H new ATOM 0 HE3 MET A 15 12.573 16.400 -3.949 1.00 3.13 H new ATOM 241 N GLU A 16 11.381 21.953 -5.158 1.00 73.14 N ATOM 242 CA GLU A 16 11.762 23.180 -4.469 1.00 22.34 C ATOM 243 C GLU A 16 10.645 23.653 -3.543 1.00 3.12 C ATOM 244 O GLU A 16 10.866 23.886 -2.353 1.00 71.44 O ATOM 245 CB GLU A 16 12.100 24.276 -5.481 1.00 12.42 C ATOM 246 CG GLU A 16 13.452 24.093 -6.148 1.00 44.13 C ATOM 247 CD GLU A 16 14.575 23.899 -5.148 1.00 3.32 C ATOM 248 OE1 GLU A 16 14.824 24.827 -4.349 1.00 32.41 O ATOM 249 OE2 GLU A 16 15.205 22.821 -5.164 1.00 3.44 O ATOM 0 H GLU A 16 11.449 22.002 -6.175 1.00 73.14 H new ATOM 0 HA GLU A 16 12.645 22.969 -3.866 1.00 22.34 H new ATOM 0 HB2 GLU A 16 11.326 24.301 -6.248 1.00 12.42 H new ATOM 0 HB3 GLU A 16 12.081 25.242 -4.977 1.00 12.42 H new ATOM 0 HG2 GLU A 16 13.411 23.231 -6.814 1.00 44.13 H new ATOM 0 HG3 GLU A 16 13.668 24.964 -6.767 1.00 44.13 H new ATOM 256 N LEU A 17 9.446 23.794 -4.097 1.00 2.44 N ATOM 257 CA LEU A 17 8.293 24.241 -3.322 1.00 24.42 C ATOM 258 C LEU A 17 7.654 23.074 -2.576 1.00 31.11 C ATOM 259 O LEU A 17 7.329 23.184 -1.393 1.00 73.01 O ATOM 260 CB LEU A 17 7.263 24.901 -4.239 1.00 15.01 C ATOM 261 CG LEU A 17 6.402 25.994 -3.604 1.00 33.31 C ATOM 262 CD1 LEU A 17 6.925 27.371 -3.980 1.00 51.30 C ATOM 263 CD2 LEU A 17 4.948 25.840 -4.026 1.00 32.11 C ATOM 0 H LEU A 17 9.246 23.605 -5.079 1.00 2.44 H new ATOM 0 HA LEU A 17 8.638 24.971 -2.590 1.00 24.42 H new ATOM 0 HB2 LEU A 17 7.788 25.330 -5.093 1.00 15.01 H new ATOM 0 HB3 LEU A 17 6.603 24.126 -4.628 1.00 15.01 H new ATOM 0 HG LEU A 17 6.458 25.890 -2.520 1.00 33.31 H new ATOM 0 HD11 LEU A 17 6.300 28.136 -3.519 1.00 51.30 H new ATOM 0 HD12 LEU A 17 7.951 27.479 -3.627 1.00 51.30 H new ATOM 0 HD13 LEU A 17 6.900 27.486 -5.064 1.00 51.30 H new ATOM 0 HD21 LEU A 17 4.350 26.626 -3.565 1.00 32.11 H new ATOM 0 HD22 LEU A 17 4.874 25.917 -5.111 1.00 32.11 H new ATOM 0 HD23 LEU A 17 4.577 24.867 -3.705 1.00 32.11 H new ATOM 275 N CYS A 18 7.479 21.957 -3.274 1.00 15.42 N ATOM 276 CA CYS A 18 6.879 20.769 -2.677 1.00 62.01 C ATOM 277 C CYS A 18 7.520 20.455 -1.329 1.00 43.03 C ATOM 278 O CYS A 18 6.841 20.047 -0.387 1.00 23.21 O ATOM 279 CB CYS A 18 7.027 19.571 -3.617 1.00 15.51 C ATOM 280 SG CYS A 18 6.475 18.003 -2.906 1.00 54.13 S ATOM 0 H CYS A 18 7.744 21.849 -4.253 1.00 15.42 H new ATOM 0 HA CYS A 18 5.819 20.968 -2.517 1.00 62.01 H new ATOM 0 HB2 CYS A 18 6.460 19.765 -4.527 1.00 15.51 H new ATOM 0 HB3 CYS A 18 8.073 19.478 -3.907 1.00 15.51 H new ATOM 0 HG CYS A 18 6.034 17.229 -3.852 1.00 54.13 H new ATOM 286 N PHE A 19 8.833 20.647 -1.245 1.00 73.32 N ATOM 287 CA PHE A 19 9.567 20.382 -0.013 1.00 73.54 C ATOM 288 C PHE A 19 8.950 21.137 1.160 1.00 4.24 C ATOM 289 O PHE A 19 8.817 20.598 2.259 1.00 1.21 O ATOM 290 CB PHE A 19 11.036 20.778 -0.175 1.00 32.43 C ATOM 291 CG PHE A 19 11.864 20.519 1.051 1.00 65.21 C ATOM 292 CD1 PHE A 19 11.926 21.453 2.072 1.00 51.31 C ATOM 293 CD2 PHE A 19 12.583 19.341 1.182 1.00 75.13 C ATOM 294 CE1 PHE A 19 12.687 21.218 3.201 1.00 3.23 C ATOM 295 CE2 PHE A 19 13.345 19.100 2.309 1.00 42.11 C ATOM 296 CZ PHE A 19 13.399 20.040 3.319 1.00 13.33 C ATOM 0 H PHE A 19 9.410 20.985 -2.015 1.00 73.32 H new ATOM 0 HA PHE A 19 9.507 19.314 0.194 1.00 73.54 H new ATOM 0 HB2 PHE A 19 11.462 20.228 -1.014 1.00 32.43 H new ATOM 0 HB3 PHE A 19 11.093 21.837 -0.426 1.00 32.43 H new ATOM 0 HD1 PHE A 19 11.373 22.376 1.984 1.00 51.31 H new ATOM 0 HD2 PHE A 19 12.547 18.603 0.394 1.00 75.13 H new ATOM 0 HE1 PHE A 19 12.725 21.954 3.990 1.00 3.23 H new ATOM 0 HE2 PHE A 19 13.898 18.177 2.400 1.00 42.11 H new ATOM 0 HZ PHE A 19 13.997 19.855 4.199 1.00 13.33 H new ATOM 306 N VAL A 20 8.577 22.390 0.919 1.00 33.13 N ATOM 307 CA VAL A 20 7.974 23.221 1.955 1.00 62.41 C ATOM 308 C VAL A 20 6.522 22.827 2.199 1.00 32.03 C ATOM 309 O VAL A 20 6.045 22.850 3.334 1.00 33.53 O ATOM 310 CB VAL A 20 8.034 24.714 1.582 1.00 21.10 C ATOM 311 CG1 VAL A 20 7.275 25.550 2.601 1.00 22.23 C ATOM 312 CG2 VAL A 20 9.479 25.177 1.470 1.00 53.01 C ATOM 0 H VAL A 20 8.682 22.852 0.016 1.00 33.13 H new ATOM 0 HA VAL A 20 8.549 23.059 2.866 1.00 62.41 H new ATOM 0 HB VAL A 20 7.557 24.848 0.611 1.00 21.10 H new ATOM 0 HG11 VAL A 20 7.329 26.602 2.321 1.00 22.23 H new ATOM 0 HG12 VAL A 20 6.232 25.234 2.627 1.00 22.23 H new ATOM 0 HG13 VAL A 20 7.720 25.414 3.587 1.00 22.23 H new ATOM 0 HG21 VAL A 20 9.503 26.234 1.206 1.00 53.01 H new ATOM 0 HG22 VAL A 20 9.983 25.030 2.425 1.00 53.01 H new ATOM 0 HG23 VAL A 20 9.988 24.599 0.699 1.00 53.01 H new ATOM 322 N ILE A 21 5.824 22.466 1.128 1.00 40.13 N ATOM 323 CA ILE A 21 4.426 22.066 1.226 1.00 20.43 C ATOM 324 C ILE A 21 4.281 20.764 2.007 1.00 71.54 C ATOM 325 O ILE A 21 3.312 20.573 2.741 1.00 13.14 O ATOM 326 CB ILE A 21 3.791 21.890 -0.166 1.00 1.22 C ATOM 327 CG1 ILE A 21 4.047 23.129 -1.027 1.00 22.21 C ATOM 328 CG2 ILE A 21 2.298 21.627 -0.038 1.00 22.13 C ATOM 329 CD1 ILE A 21 3.678 24.427 -0.343 1.00 70.34 C ATOM 0 H ILE A 21 6.204 22.442 0.182 1.00 40.13 H new ATOM 0 HA ILE A 21 3.906 22.865 1.755 1.00 20.43 H new ATOM 0 HB ILE A 21 4.251 21.030 -0.653 1.00 1.22 H new ATOM 0 HG12 ILE A 21 5.101 23.159 -1.301 1.00 22.21 H new ATOM 0 HG13 ILE A 21 3.479 23.042 -1.953 1.00 22.21 H new ATOM 0 HG21 ILE A 21 1.864 21.505 -1.030 1.00 22.13 H new ATOM 0 HG22 ILE A 21 2.137 20.719 0.543 1.00 22.13 H new ATOM 0 HG23 ILE A 21 1.822 22.469 0.465 1.00 22.13 H new ATOM 0 HD11 ILE A 21 3.886 25.262 -1.011 1.00 70.34 H new ATOM 0 HD12 ILE A 21 2.617 24.418 -0.093 1.00 70.34 H new ATOM 0 HD13 ILE A 21 4.265 24.537 0.569 1.00 70.34 H new ATOM 341 N ARG A 22 5.252 19.871 1.843 1.00 33.31 N ATOM 342 CA ARG A 22 5.233 18.586 2.533 1.00 54.44 C ATOM 343 C ARG A 22 5.360 18.777 4.041 1.00 12.32 C ATOM 344 O ARG A 22 4.890 17.951 4.825 1.00 41.42 O ATOM 345 CB ARG A 22 6.365 17.693 2.024 1.00 45.25 C ATOM 346 CG ARG A 22 6.379 16.309 2.651 1.00 34.02 C ATOM 347 CD ARG A 22 7.651 16.071 3.449 1.00 2.21 C ATOM 348 NE ARG A 22 7.528 14.927 4.348 1.00 14.13 N ATOM 349 CZ ARG A 22 7.549 13.664 3.938 1.00 63.03 C ATOM 350 NH1 ARG A 22 7.689 13.385 2.649 1.00 24.53 N ATOM 351 NH2 ARG A 22 7.431 12.677 4.817 1.00 41.21 N ATOM 0 H ARG A 22 6.061 20.013 1.239 1.00 33.31 H new ATOM 0 HA ARG A 22 4.278 18.104 2.324 1.00 54.44 H new ATOM 0 HB2 ARG A 22 6.278 17.591 0.942 1.00 45.25 H new ATOM 0 HB3 ARG A 22 7.319 18.182 2.222 1.00 45.25 H new ATOM 0 HG2 ARG A 22 5.513 16.195 3.303 1.00 34.02 H new ATOM 0 HG3 ARG A 22 6.292 15.554 1.870 1.00 34.02 H new ATOM 0 HD2 ARG A 22 8.483 15.906 2.764 1.00 2.21 H new ATOM 0 HD3 ARG A 22 7.888 16.963 4.028 1.00 2.21 H new ATOM 0 HE ARG A 22 7.420 15.108 5.346 1.00 14.13 H new ATOM 0 HH11 ARG A 22 7.781 14.141 1.971 1.00 24.53 H new ATOM 0 HH12 ARG A 22 7.705 12.414 2.336 1.00 24.53 H new ATOM 0 HH21 ARG A 22 7.324 12.888 5.809 1.00 41.21 H new ATOM 0 HH22 ARG A 22 7.447 11.708 4.500 1.00 41.21 H new ATOM 365 N THR A 23 5.999 19.872 4.442 1.00 33.03 N ATOM 366 CA THR A 23 6.190 20.171 5.856 1.00 75.21 C ATOM 367 C THR A 23 4.885 20.619 6.504 1.00 13.21 C ATOM 368 O THR A 23 4.680 20.431 7.703 1.00 54.12 O ATOM 369 CB THR A 23 7.254 21.266 6.060 1.00 34.30 C ATOM 370 OG1 THR A 23 6.680 22.556 5.824 1.00 41.42 O ATOM 371 CG2 THR A 23 8.436 21.052 5.127 1.00 52.01 C ATOM 0 H THR A 23 6.393 20.566 3.807 1.00 33.03 H new ATOM 0 HA THR A 23 6.531 19.251 6.331 1.00 75.21 H new ATOM 0 HB THR A 23 7.609 21.210 7.089 1.00 34.30 H new ATOM 0 HG1 THR A 23 6.222 22.557 4.958 1.00 41.42 H new ATOM 0 HG21 THR A 23 9.174 21.837 5.289 1.00 52.01 H new ATOM 0 HG22 THR A 23 8.888 20.081 5.330 1.00 52.01 H new ATOM 0 HG23 THR A 23 8.094 21.084 4.093 1.00 52.01 H new ATOM 379 N MET A 24 4.005 21.212 5.704 1.00 50.34 N ATOM 380 CA MET A 24 2.718 21.686 6.200 1.00 22.34 C ATOM 381 C MET A 24 1.686 20.563 6.192 1.00 73.13 C ATOM 382 O MET A 24 1.103 20.235 7.225 1.00 61.02 O ATOM 383 CB MET A 24 2.221 22.859 5.353 1.00 34.55 C ATOM 384 CG MET A 24 3.177 24.040 5.330 1.00 71.12 C ATOM 385 SD MET A 24 2.330 25.615 5.098 1.00 72.42 S ATOM 386 CE MET A 24 1.924 25.527 3.355 1.00 2.44 C ATOM 0 H MET A 24 4.160 21.376 4.709 1.00 50.34 H new ATOM 0 HA MET A 24 2.854 22.023 7.228 1.00 22.34 H new ATOM 0 HB2 MET A 24 2.057 22.515 4.332 1.00 34.55 H new ATOM 0 HB3 MET A 24 1.256 23.191 5.737 1.00 34.55 H new ATOM 0 HG2 MET A 24 3.737 24.067 6.265 1.00 71.12 H new ATOM 0 HG3 MET A 24 3.902 23.900 4.528 1.00 71.12 H new ATOM 0 HE1 MET A 24 1.140 26.249 3.127 1.00 2.44 H new ATOM 0 HE2 MET A 24 2.810 25.755 2.763 1.00 2.44 H new ATOM 0 HE3 MET A 24 1.574 24.523 3.113 1.00 2.44 H new ATOM 396 N ALA A 25 1.464 19.978 5.019 1.00 22.22 N ATOM 397 CA ALA A 25 0.503 18.891 4.877 1.00 23.12 C ATOM 398 C ALA A 25 1.079 17.578 5.396 1.00 22.22 C ATOM 399 O ALA A 25 2.288 17.352 5.336 1.00 0.51 O ATOM 400 CB ALA A 25 0.081 18.746 3.423 1.00 44.14 C ATOM 0 H ALA A 25 1.937 20.239 4.154 1.00 22.22 H new ATOM 0 HA ALA A 25 -0.375 19.135 5.476 1.00 23.12 H new ATOM 0 HB1 ALA A 25 -0.637 17.931 3.332 1.00 44.14 H new ATOM 0 HB2 ALA A 25 -0.379 19.674 3.083 1.00 44.14 H new ATOM 0 HB3 ALA A 25 0.956 18.529 2.810 1.00 44.14 H new ATOM 406 N ARG A 26 0.207 16.715 5.906 1.00 34.21 N ATOM 407 CA ARG A 26 0.629 15.425 6.437 1.00 23.35 C ATOM 408 C ARG A 26 0.015 14.280 5.638 1.00 73.41 C ATOM 409 O ARG A 26 0.691 13.637 4.834 1.00 72.21 O ATOM 410 CB ARG A 26 0.235 15.302 7.910 1.00 33.34 C ATOM 411 CG ARG A 26 1.377 15.583 8.873 1.00 42.45 C ATOM 412 CD ARG A 26 1.109 16.825 9.708 1.00 55.31 C ATOM 413 NE ARG A 26 2.327 17.346 10.322 1.00 30.12 N ATOM 414 CZ ARG A 26 2.384 18.499 10.980 1.00 72.41 C ATOM 415 NH1 ARG A 26 1.297 19.247 11.108 1.00 33.43 N ATOM 416 NH2 ARG A 26 3.530 18.905 11.511 1.00 32.23 N ATOM 0 H ARG A 26 -0.797 16.886 5.963 1.00 34.21 H new ATOM 0 HA ARG A 26 1.714 15.363 6.352 1.00 23.35 H new ATOM 0 HB2 ARG A 26 -0.582 15.993 8.117 1.00 33.34 H new ATOM 0 HB3 ARG A 26 -0.144 14.296 8.093 1.00 33.34 H new ATOM 0 HG2 ARG A 26 1.519 14.725 9.530 1.00 42.45 H new ATOM 0 HG3 ARG A 26 2.303 15.713 8.313 1.00 42.45 H new ATOM 0 HD2 ARG A 26 0.662 17.595 9.079 1.00 55.31 H new ATOM 0 HD3 ARG A 26 0.383 16.589 10.486 1.00 55.31 H new ATOM 0 HE ARG A 26 3.181 16.794 10.241 1.00 30.12 H new ATOM 0 HH11 ARG A 26 0.414 18.938 10.701 1.00 33.43 H new ATOM 0 HH12 ARG A 26 1.343 20.132 11.614 1.00 33.43 H new ATOM 0 HH21 ARG A 26 4.368 18.332 11.414 1.00 32.23 H new ATOM 0 HH22 ARG A 26 3.573 19.790 12.016 1.00 32.23 H new ATOM 430 N HIS A 27 -1.271 14.029 5.865 1.00 40.54 N ATOM 431 CA HIS A 27 -1.977 12.962 5.165 1.00 30.23 C ATOM 432 C HIS A 27 -1.846 13.123 3.654 1.00 71.12 C ATOM 433 O HIS A 27 -1.941 12.150 2.906 1.00 63.23 O ATOM 434 CB HIS A 27 -3.453 12.952 5.563 1.00 54.21 C ATOM 435 CG HIS A 27 -3.688 12.553 6.987 1.00 5.44 C ATOM 436 ND1 HIS A 27 -4.874 12.009 7.431 1.00 31.12 N ATOM 437 CD2 HIS A 27 -2.878 12.621 8.070 1.00 30.11 C ATOM 438 CE1 HIS A 27 -4.785 11.760 8.726 1.00 40.34 C ATOM 439 NE2 HIS A 27 -3.583 12.122 9.138 1.00 54.24 N ATOM 0 H HIS A 27 -1.845 14.550 6.528 1.00 40.54 H new ATOM 0 HA HIS A 27 -1.525 12.012 5.451 1.00 30.23 H new ATOM 0 HB2 HIS A 27 -3.871 13.945 5.399 1.00 54.21 H new ATOM 0 HB3 HIS A 27 -3.992 12.267 4.909 1.00 54.21 H new ATOM 0 HD2 HIS A 27 -1.866 12.998 8.090 1.00 30.11 H new ATOM 0 HE1 HIS A 27 -5.562 11.333 9.342 1.00 40.34 H new ATOM 0 HE2 HIS A 27 -3.235 12.044 10.094 1.00 54.24 H new ATOM 447 N ARG A 28 -1.629 14.357 3.212 1.00 42.32 N ATOM 448 CA ARG A 28 -1.487 14.646 1.790 1.00 70.32 C ATOM 449 C ARG A 28 -0.406 13.771 1.163 1.00 63.43 C ATOM 450 O ARG A 28 -0.445 13.478 -0.033 1.00 15.44 O ATOM 451 CB ARG A 28 -1.149 16.123 1.578 1.00 30.34 C ATOM 452 CG ARG A 28 -2.367 17.032 1.576 1.00 70.13 C ATOM 453 CD ARG A 28 -3.068 17.028 2.925 1.00 74.40 C ATOM 454 NE ARG A 28 -3.901 18.212 3.113 1.00 55.45 N ATOM 455 CZ ARG A 28 -4.333 18.627 4.298 1.00 33.14 C ATOM 456 NH1 ARG A 28 -4.012 17.956 5.396 1.00 0.31 N ATOM 457 NH2 ARG A 28 -5.088 19.715 4.388 1.00 62.21 N ATOM 0 H ARG A 28 -1.548 15.173 3.818 1.00 42.32 H new ATOM 0 HA ARG A 28 -2.437 14.425 1.304 1.00 70.32 H new ATOM 0 HB2 ARG A 28 -0.466 16.447 2.363 1.00 30.34 H new ATOM 0 HB3 ARG A 28 -0.622 16.234 0.631 1.00 30.34 H new ATOM 0 HG2 ARG A 28 -2.063 18.048 1.326 1.00 70.13 H new ATOM 0 HG3 ARG A 28 -3.063 16.708 0.802 1.00 70.13 H new ATOM 0 HD2 ARG A 28 -3.685 16.134 3.010 1.00 74.40 H new ATOM 0 HD3 ARG A 28 -2.324 16.979 3.720 1.00 74.40 H new ATOM 0 HE ARG A 28 -4.166 18.750 2.288 1.00 55.45 H new ATOM 0 HH11 ARG A 28 -3.432 17.119 5.331 1.00 0.31 H new ATOM 0 HH12 ARG A 28 -4.345 18.277 6.305 1.00 0.31 H new ATOM 0 HH21 ARG A 28 -5.337 20.234 3.546 1.00 62.21 H new ATOM 0 HH22 ARG A 28 -5.419 20.032 5.299 1.00 62.21 H new ATOM 471 N ARG A 29 0.559 13.356 1.977 1.00 2.33 N ATOM 472 CA ARG A 29 1.652 12.516 1.502 1.00 0.42 C ATOM 473 C ARG A 29 1.117 11.301 0.752 1.00 74.45 C ATOM 474 O ARG A 29 1.779 10.767 -0.139 1.00 55.51 O ATOM 475 CB ARG A 29 2.522 12.062 2.676 1.00 52.12 C ATOM 476 CG ARG A 29 1.846 11.039 3.574 1.00 2.24 C ATOM 477 CD ARG A 29 2.400 11.089 4.990 1.00 64.33 C ATOM 478 NE ARG A 29 3.370 10.025 5.235 1.00 24.12 N ATOM 479 CZ ARG A 29 3.036 8.751 5.406 1.00 21.33 C ATOM 480 NH1 ARG A 29 1.763 8.384 5.358 1.00 31.25 N ATOM 481 NH2 ARG A 29 3.976 7.840 5.625 1.00 4.54 N ATOM 0 H ARG A 29 0.606 13.588 2.969 1.00 2.33 H new ATOM 0 HA ARG A 29 2.259 13.107 0.816 1.00 0.42 H new ATOM 0 HB2 ARG A 29 3.448 11.637 2.288 1.00 52.12 H new ATOM 0 HB3 ARG A 29 2.796 12.932 3.273 1.00 52.12 H new ATOM 0 HG2 ARG A 29 0.772 11.225 3.595 1.00 2.24 H new ATOM 0 HG3 ARG A 29 1.988 10.040 3.161 1.00 2.24 H new ATOM 0 HD2 ARG A 29 2.872 12.057 5.161 1.00 64.33 H new ATOM 0 HD3 ARG A 29 1.580 11.004 5.703 1.00 64.33 H new ATOM 0 HE ARG A 29 4.358 10.274 5.277 1.00 24.12 H new ATOM 0 HH11 ARG A 29 1.037 9.081 5.189 1.00 31.25 H new ATOM 0 HH12 ARG A 29 1.509 7.405 5.490 1.00 31.25 H new ATOM 0 HH21 ARG A 29 4.957 8.118 5.662 1.00 4.54 H new ATOM 0 HH22 ARG A 29 3.718 6.862 5.756 1.00 4.54 H new ATOM 495 N ASP A 30 -0.085 10.868 1.118 1.00 63.32 N ATOM 496 CA ASP A 30 -0.710 9.715 0.479 1.00 3.30 C ATOM 497 C ASP A 30 -0.928 9.971 -1.009 1.00 63.31 C ATOM 498 O ASP A 30 -0.872 9.049 -1.822 1.00 55.01 O ATOM 499 CB ASP A 30 -2.043 9.392 1.154 1.00 33.14 C ATOM 500 CG ASP A 30 -2.342 7.906 1.164 1.00 71.43 C ATOM 501 OD1 ASP A 30 -1.601 7.156 1.833 1.00 11.11 O ATOM 502 OD2 ASP A 30 -3.316 7.492 0.501 1.00 75.32 O ATOM 0 H ASP A 30 -0.646 11.298 1.854 1.00 63.32 H new ATOM 0 HA ASP A 30 -0.040 8.862 0.588 1.00 3.30 H new ATOM 0 HB2 ASP A 30 -2.027 9.763 2.179 1.00 33.14 H new ATOM 0 HB3 ASP A 30 -2.846 9.918 0.637 1.00 33.14 H new ATOM 507 N GLY A 31 -1.177 11.229 -1.358 1.00 42.33 N ATOM 508 CA GLY A 31 -1.401 11.583 -2.748 1.00 2.13 C ATOM 509 C GLY A 31 -0.950 12.995 -3.066 1.00 70.14 C ATOM 510 O GLY A 31 0.230 13.321 -2.941 1.00 5.31 O ATOM 0 H GLY A 31 -1.228 12.010 -0.703 1.00 42.33 H new ATOM 0 HA2 GLY A 31 -0.867 10.881 -3.389 1.00 2.13 H new ATOM 0 HA3 GLY A 31 -2.462 11.483 -2.979 1.00 2.13 H new ATOM 514 N LYS A 32 -1.892 13.835 -3.482 1.00 4.32 N ATOM 515 CA LYS A 32 -1.586 15.220 -3.820 1.00 54.34 C ATOM 516 C LYS A 32 -1.571 16.095 -2.571 1.00 51.20 C ATOM 517 O LYS A 32 -2.241 15.793 -1.583 1.00 4.44 O ATOM 518 CB LYS A 32 -2.611 15.760 -4.821 1.00 63.23 C ATOM 519 CG LYS A 32 -2.994 14.760 -5.898 1.00 71.41 C ATOM 520 CD LYS A 32 -1.770 14.215 -6.615 1.00 21.13 C ATOM 521 CE LYS A 32 -0.988 15.323 -7.303 1.00 2.33 C ATOM 522 NZ LYS A 32 -1.870 16.196 -8.126 1.00 60.10 N ATOM 0 H LYS A 32 -2.874 13.581 -3.593 1.00 4.32 H new ATOM 0 HA LYS A 32 -0.595 15.247 -4.273 1.00 54.34 H new ATOM 0 HB2 LYS A 32 -3.509 16.062 -4.282 1.00 63.23 H new ATOM 0 HB3 LYS A 32 -2.207 16.655 -5.295 1.00 63.23 H new ATOM 0 HG2 LYS A 32 -3.551 13.937 -5.450 1.00 71.41 H new ATOM 0 HG3 LYS A 32 -3.657 15.237 -6.620 1.00 71.41 H new ATOM 0 HD2 LYS A 32 -1.126 13.704 -5.900 1.00 21.13 H new ATOM 0 HD3 LYS A 32 -2.079 13.474 -7.352 1.00 21.13 H new ATOM 0 HE2 LYS A 32 -0.477 15.927 -6.553 1.00 2.33 H new ATOM 0 HE3 LYS A 32 -0.218 14.884 -7.937 1.00 2.33 H new ATOM 0 HZ1 LYS A 32 -1.294 16.719 -8.816 1.00 60.10 H new ATOM 0 HZ2 LYS A 32 -2.566 15.610 -8.629 1.00 60.10 H new ATOM 0 HZ3 LYS A 32 -2.366 16.869 -7.508 1.00 60.10 H new ATOM 536 N ILE A 33 -0.805 17.180 -2.623 1.00 71.40 N ATOM 537 CA ILE A 33 -0.706 18.099 -1.496 1.00 62.12 C ATOM 538 C ILE A 33 -1.391 19.425 -1.807 1.00 10.22 C ATOM 539 O ILE A 33 -1.386 19.884 -2.949 1.00 15.45 O ATOM 540 CB ILE A 33 0.762 18.369 -1.118 1.00 25.24 C ATOM 541 CG1 ILE A 33 1.612 17.118 -1.356 1.00 15.41 C ATOM 542 CG2 ILE A 33 0.862 18.814 0.334 1.00 51.54 C ATOM 543 CD1 ILE A 33 3.058 17.283 -0.944 1.00 72.41 C ATOM 0 H ILE A 33 -0.244 17.444 -3.433 1.00 71.40 H new ATOM 0 HA ILE A 33 -1.208 17.622 -0.654 1.00 62.12 H new ATOM 0 HB ILE A 33 1.143 19.170 -1.751 1.00 25.24 H new ATOM 0 HG12 ILE A 33 1.178 16.284 -0.805 1.00 15.41 H new ATOM 0 HG13 ILE A 33 1.571 16.857 -2.413 1.00 15.41 H new ATOM 0 HG21 ILE A 33 1.906 19.001 0.586 1.00 51.54 H new ATOM 0 HG22 ILE A 33 0.285 19.728 0.475 1.00 51.54 H new ATOM 0 HG23 ILE A 33 0.467 18.032 0.982 1.00 51.54 H new ATOM 0 HD11 ILE A 33 3.600 16.358 -1.141 1.00 72.41 H new ATOM 0 HD12 ILE A 33 3.508 18.096 -1.514 1.00 72.41 H new ATOM 0 HD13 ILE A 33 3.109 17.514 0.120 1.00 72.41 H new ATOM 555 N GLN A 34 -1.978 20.036 -0.782 1.00 45.14 N ATOM 556 CA GLN A 34 -2.666 21.311 -0.946 1.00 70.03 C ATOM 557 C GLN A 34 -2.549 22.159 0.316 1.00 40.11 C ATOM 558 O GLN A 34 -2.636 21.646 1.431 1.00 20.25 O ATOM 559 CB GLN A 34 -4.140 21.079 -1.284 1.00 63.03 C ATOM 560 CG GLN A 34 -4.353 20.297 -2.571 1.00 11.44 C ATOM 561 CD GLN A 34 -4.382 18.799 -2.345 1.00 31.32 C ATOM 562 OE1 GLN A 34 -4.065 18.317 -1.257 1.00 32.21 O ATOM 563 NE2 GLN A 34 -4.764 18.052 -3.374 1.00 63.15 N ATOM 0 H GLN A 34 -1.991 19.669 0.170 1.00 45.14 H new ATOM 0 HA GLN A 34 -2.192 21.848 -1.768 1.00 70.03 H new ATOM 0 HB2 GLN A 34 -4.613 20.544 -0.461 1.00 63.03 H new ATOM 0 HB3 GLN A 34 -4.641 22.043 -1.367 1.00 63.03 H new ATOM 0 HG2 GLN A 34 -5.291 20.610 -3.031 1.00 11.44 H new ATOM 0 HG3 GLN A 34 -3.557 20.539 -3.275 1.00 11.44 H new ATOM 0 HE21 GLN A 34 -5.018 18.493 -4.258 1.00 63.15 H new ATOM 0 HE22 GLN A 34 -4.803 17.037 -3.281 1.00 63.15 H new ATOM 572 N VAL A 35 -2.351 23.461 0.132 1.00 23.41 N ATOM 573 CA VAL A 35 -2.222 24.380 1.256 1.00 14.50 C ATOM 574 C VAL A 35 -2.638 25.793 0.860 1.00 23.02 C ATOM 575 O VAL A 35 -2.513 26.187 -0.300 1.00 15.21 O ATOM 576 CB VAL A 35 -0.779 24.413 1.793 1.00 50.03 C ATOM 577 CG1 VAL A 35 -0.488 23.170 2.619 1.00 34.33 C ATOM 578 CG2 VAL A 35 0.212 24.545 0.646 1.00 23.14 C ATOM 0 H VAL A 35 -2.277 23.902 -0.785 1.00 23.41 H new ATOM 0 HA VAL A 35 -2.884 24.015 2.041 1.00 14.50 H new ATOM 0 HB VAL A 35 -0.670 25.283 2.440 1.00 50.03 H new ATOM 0 HG11 VAL A 35 0.536 23.211 2.990 1.00 34.33 H new ATOM 0 HG12 VAL A 35 -1.178 23.124 3.462 1.00 34.33 H new ATOM 0 HG13 VAL A 35 -0.614 22.283 1.998 1.00 34.33 H new ATOM 0 HG21 VAL A 35 1.227 24.567 1.043 1.00 23.14 H new ATOM 0 HG22 VAL A 35 0.104 23.695 -0.028 1.00 23.14 H new ATOM 0 HG23 VAL A 35 0.016 25.468 0.100 1.00 23.14 H new ATOM 588 N THR A 36 -3.132 26.553 1.833 1.00 40.14 N ATOM 589 CA THR A 36 -3.567 27.922 1.586 1.00 3.25 C ATOM 590 C THR A 36 -2.388 28.888 1.621 1.00 22.10 C ATOM 591 O THR A 36 -1.358 28.605 2.234 1.00 70.34 O ATOM 592 CB THR A 36 -4.616 28.373 2.621 1.00 45.14 C ATOM 593 OG1 THR A 36 -4.156 28.080 3.945 1.00 45.14 O ATOM 594 CG2 THR A 36 -5.948 27.681 2.377 1.00 52.35 C ATOM 0 H THR A 36 -3.241 26.243 2.799 1.00 40.14 H new ATOM 0 HA THR A 36 -4.016 27.937 0.593 1.00 3.25 H new ATOM 0 HB THR A 36 -4.758 29.449 2.516 1.00 45.14 H new ATOM 0 HG1 THR A 36 -4.828 28.371 4.597 1.00 45.14 H new ATOM 0 HG21 THR A 36 -6.673 28.015 3.120 1.00 52.35 H new ATOM 0 HG22 THR A 36 -6.310 27.930 1.379 1.00 52.35 H new ATOM 0 HG23 THR A 36 -5.817 26.602 2.457 1.00 52.35 H new ATOM 602 N PHE A 37 -2.545 30.030 0.960 1.00 10.12 N ATOM 603 CA PHE A 37 -1.493 31.039 0.915 1.00 24.53 C ATOM 604 C PHE A 37 -1.085 31.462 2.323 1.00 3.13 C ATOM 605 O PHE A 37 0.101 31.553 2.637 1.00 24.51 O ATOM 606 CB PHE A 37 -1.960 32.259 0.119 1.00 64.43 C ATOM 607 CG PHE A 37 -1.127 33.486 0.359 1.00 73.44 C ATOM 608 CD1 PHE A 37 0.255 33.426 0.286 1.00 2.13 C ATOM 609 CD2 PHE A 37 -1.727 34.699 0.656 1.00 72.42 C ATOM 610 CE1 PHE A 37 1.023 34.554 0.507 1.00 23.55 C ATOM 611 CE2 PHE A 37 -0.964 35.830 0.878 1.00 72.35 C ATOM 612 CZ PHE A 37 0.413 35.757 0.802 1.00 11.02 C ATOM 0 H PHE A 37 -3.391 30.280 0.448 1.00 10.12 H new ATOM 0 HA PHE A 37 -0.626 30.602 0.420 1.00 24.53 H new ATOM 0 HB2 PHE A 37 -1.941 32.019 -0.944 1.00 64.43 H new ATOM 0 HB3 PHE A 37 -2.996 32.477 0.378 1.00 64.43 H new ATOM 0 HD1 PHE A 37 0.738 32.488 0.054 1.00 2.13 H new ATOM 0 HD2 PHE A 37 -2.804 34.762 0.715 1.00 72.42 H new ATOM 0 HE1 PHE A 37 2.100 34.494 0.449 1.00 23.55 H new ATOM 0 HE2 PHE A 37 -1.444 36.769 1.110 1.00 72.35 H new ATOM 0 HZ PHE A 37 1.012 36.639 0.973 1.00 11.02 H new ATOM 622 N GLY A 38 -2.078 31.721 3.168 1.00 12.32 N ATOM 623 CA GLY A 38 -1.803 32.133 4.532 1.00 14.04 C ATOM 624 C GLY A 38 -0.831 31.205 5.233 1.00 12.14 C ATOM 625 O GLY A 38 0.113 31.659 5.879 1.00 60.30 O ATOM 0 H GLY A 38 -3.068 31.653 2.932 1.00 12.32 H new ATOM 0 HA2 GLY A 38 -1.396 33.144 4.528 1.00 14.04 H new ATOM 0 HA3 GLY A 38 -2.737 32.167 5.093 1.00 14.04 H new ATOM 629 N GLU A 39 -1.063 29.902 5.107 1.00 15.24 N ATOM 630 CA GLU A 39 -0.201 28.909 5.737 1.00 73.11 C ATOM 631 C GLU A 39 1.178 28.893 5.083 1.00 13.04 C ATOM 632 O GLU A 39 2.202 28.937 5.767 1.00 73.43 O ATOM 633 CB GLU A 39 -0.836 27.520 5.647 1.00 33.32 C ATOM 634 CG GLU A 39 -2.005 27.322 6.598 1.00 40.11 C ATOM 635 CD GLU A 39 -1.564 26.885 7.981 1.00 31.13 C ATOM 636 OE1 GLU A 39 -1.132 27.752 8.769 1.00 55.31 O ATOM 637 OE2 GLU A 39 -1.651 25.674 8.276 1.00 14.30 O ATOM 0 H GLU A 39 -1.840 29.510 4.575 1.00 15.24 H new ATOM 0 HA GLU A 39 -0.084 29.180 6.786 1.00 73.11 H new ATOM 0 HB2 GLU A 39 -1.177 27.351 4.626 1.00 33.32 H new ATOM 0 HB3 GLU A 39 -0.076 26.768 5.858 1.00 33.32 H new ATOM 0 HG2 GLU A 39 -2.566 28.253 6.677 1.00 40.11 H new ATOM 0 HG3 GLU A 39 -2.683 26.576 6.184 1.00 40.11 H new ATOM 644 N LEU A 40 1.196 28.830 3.757 1.00 62.33 N ATOM 645 CA LEU A 40 2.449 28.807 3.009 1.00 13.42 C ATOM 646 C LEU A 40 3.330 29.993 3.389 1.00 65.24 C ATOM 647 O LEU A 40 4.526 29.836 3.640 1.00 75.24 O ATOM 648 CB LEU A 40 2.169 28.826 1.505 1.00 15.25 C ATOM 649 CG LEU A 40 2.598 27.582 0.727 1.00 45.30 C ATOM 650 CD1 LEU A 40 2.328 27.763 -0.759 1.00 23.43 C ATOM 651 CD2 LEU A 40 4.070 27.283 0.971 1.00 64.22 C ATOM 0 H LEU A 40 0.358 28.794 3.177 1.00 62.33 H new ATOM 0 HA LEU A 40 2.978 27.888 3.262 1.00 13.42 H new ATOM 0 HB2 LEU A 40 1.099 28.972 1.357 1.00 15.25 H new ATOM 0 HB3 LEU A 40 2.671 29.691 1.073 1.00 15.25 H new ATOM 0 HG LEU A 40 2.012 26.734 1.081 1.00 45.30 H new ATOM 0 HD11 LEU A 40 2.640 26.868 -1.297 1.00 23.43 H new ATOM 0 HD12 LEU A 40 1.263 27.929 -0.918 1.00 23.43 H new ATOM 0 HD13 LEU A 40 2.888 28.622 -1.129 1.00 23.43 H new ATOM 0 HD21 LEU A 40 4.359 26.394 0.410 1.00 64.22 H new ATOM 0 HD22 LEU A 40 4.672 28.130 0.644 1.00 64.22 H new ATOM 0 HD23 LEU A 40 4.235 27.110 2.034 1.00 64.22 H new ATOM 663 N PHE A 41 2.733 31.179 3.430 1.00 34.24 N ATOM 664 CA PHE A 41 3.463 32.391 3.781 1.00 41.33 C ATOM 665 C PHE A 41 3.967 32.326 5.220 1.00 52.24 C ATOM 666 O PHE A 41 5.155 32.516 5.482 1.00 15.51 O ATOM 667 CB PHE A 41 2.571 33.621 3.596 1.00 64.22 C ATOM 668 CG PHE A 41 3.336 34.913 3.538 1.00 33.51 C ATOM 669 CD1 PHE A 41 3.911 35.340 2.352 1.00 10.13 C ATOM 670 CD2 PHE A 41 3.479 35.699 4.670 1.00 64.12 C ATOM 671 CE1 PHE A 41 4.615 36.528 2.296 1.00 53.44 C ATOM 672 CE2 PHE A 41 4.182 36.888 4.619 1.00 14.21 C ATOM 673 CZ PHE A 41 4.751 37.303 3.431 1.00 70.11 C ATOM 0 H PHE A 41 1.745 31.327 3.224 1.00 34.24 H new ATOM 0 HA PHE A 41 4.324 32.471 3.117 1.00 41.33 H new ATOM 0 HB2 PHE A 41 1.995 33.507 2.678 1.00 64.22 H new ATOM 0 HB3 PHE A 41 1.856 33.668 4.417 1.00 64.22 H new ATOM 0 HD1 PHE A 41 3.808 34.738 1.461 1.00 10.13 H new ATOM 0 HD2 PHE A 41 3.037 35.379 5.602 1.00 64.12 H new ATOM 0 HE1 PHE A 41 5.058 36.850 1.365 1.00 53.44 H new ATOM 0 HE2 PHE A 41 4.286 37.492 5.508 1.00 14.21 H new ATOM 0 HZ PHE A 41 5.301 38.231 3.390 1.00 70.11 H new ATOM 683 N ASP A 42 3.055 32.057 6.147 1.00 22.24 N ATOM 684 CA ASP A 42 3.406 31.966 7.560 1.00 34.11 C ATOM 685 C ASP A 42 4.464 30.892 7.789 1.00 22.43 C ATOM 686 O ASP A 42 5.129 30.872 8.826 1.00 54.14 O ATOM 687 CB ASP A 42 2.162 31.661 8.397 1.00 4.33 C ATOM 688 CG ASP A 42 1.626 32.890 9.105 1.00 73.00 C ATOM 689 OD1 ASP A 42 2.280 33.358 10.060 1.00 43.50 O ATOM 690 OD2 ASP A 42 0.551 33.384 8.703 1.00 25.42 O ATOM 0 H ASP A 42 2.068 31.898 5.946 1.00 22.24 H new ATOM 0 HA ASP A 42 3.817 32.927 7.870 1.00 34.11 H new ATOM 0 HB2 ASP A 42 1.386 31.249 7.752 1.00 4.33 H new ATOM 0 HB3 ASP A 42 2.403 30.896 9.135 1.00 4.33 H new ATOM 695 N ARG A 43 4.615 29.999 6.816 1.00 14.12 N ATOM 696 CA ARG A 43 5.591 28.920 6.913 1.00 55.40 C ATOM 697 C ARG A 43 6.905 29.315 6.246 1.00 71.12 C ATOM 698 O ARG A 43 7.983 28.934 6.702 1.00 2.11 O ATOM 699 CB ARG A 43 5.041 27.647 6.268 1.00 53.15 C ATOM 700 CG ARG A 43 6.089 26.565 6.065 1.00 41.43 C ATOM 701 CD ARG A 43 6.770 26.197 7.374 1.00 51.23 C ATOM 702 NE ARG A 43 5.837 25.604 8.328 1.00 61.52 N ATOM 703 CZ ARG A 43 6.124 25.404 9.609 1.00 23.22 C ATOM 704 NH1 ARG A 43 7.312 25.749 10.087 1.00 32.15 N ATOM 705 NH2 ARG A 43 5.223 24.858 10.415 1.00 15.23 N ATOM 0 H ARG A 43 4.074 30.001 5.951 1.00 14.12 H new ATOM 0 HA ARG A 43 5.782 28.730 7.969 1.00 55.40 H new ATOM 0 HB2 ARG A 43 4.239 27.252 6.891 1.00 53.15 H new ATOM 0 HB3 ARG A 43 4.600 27.900 5.304 1.00 53.15 H new ATOM 0 HG2 ARG A 43 5.621 25.679 5.636 1.00 41.43 H new ATOM 0 HG3 ARG A 43 6.836 26.910 5.349 1.00 41.43 H new ATOM 0 HD2 ARG A 43 7.581 25.496 7.176 1.00 51.23 H new ATOM 0 HD3 ARG A 43 7.219 27.088 7.812 1.00 51.23 H new ATOM 0 HE ARG A 43 4.914 25.328 7.992 1.00 61.52 H new ATOM 0 HH11 ARG A 43 8.008 26.169 9.470 1.00 32.15 H new ATOM 0 HH12 ARG A 43 7.530 25.594 11.071 1.00 32.15 H new ATOM 0 HH21 ARG A 43 4.308 24.591 10.051 1.00 15.23 H new ATOM 0 HH22 ARG A 43 5.445 24.705 11.399 1.00 15.23 H new ATOM 719 N TYR A 44 6.807 30.079 5.164 1.00 50.21 N ATOM 720 CA TYR A 44 7.987 30.523 4.432 1.00 25.20 C ATOM 721 C TYR A 44 8.657 31.698 5.139 1.00 72.34 C ATOM 722 O TYR A 44 9.860 31.917 5.000 1.00 42.02 O ATOM 723 CB TYR A 44 7.609 30.920 3.004 1.00 13.44 C ATOM 724 CG TYR A 44 8.087 29.942 1.956 1.00 25.30 C ATOM 725 CD1 TYR A 44 9.339 30.079 1.369 1.00 22.11 C ATOM 726 CD2 TYR A 44 7.288 28.879 1.553 1.00 20.12 C ATOM 727 CE1 TYR A 44 9.780 29.187 0.410 1.00 2.44 C ATOM 728 CE2 TYR A 44 7.721 27.982 0.596 1.00 24.32 C ATOM 729 CZ TYR A 44 8.968 28.140 0.027 1.00 11.55 C ATOM 730 OH TYR A 44 9.404 27.250 -0.926 1.00 61.52 O ATOM 0 H TYR A 44 5.922 30.404 4.774 1.00 50.21 H new ATOM 0 HA TYR A 44 8.693 29.694 4.396 1.00 25.20 H new ATOM 0 HB2 TYR A 44 6.525 31.011 2.936 1.00 13.44 H new ATOM 0 HB3 TYR A 44 8.025 31.904 2.787 1.00 13.44 H new ATOM 0 HD1 TYR A 44 9.978 30.897 1.667 1.00 22.11 H new ATOM 0 HD2 TYR A 44 6.311 28.752 1.996 1.00 20.12 H new ATOM 0 HE1 TYR A 44 10.755 29.309 -0.037 1.00 2.44 H new ATOM 0 HE2 TYR A 44 7.087 27.161 0.295 1.00 24.32 H new ATOM 0 HH TYR A 44 8.714 26.572 -1.081 1.00 61.52 H new ATOM 740 N VAL A 45 7.867 32.451 5.898 1.00 64.30 N ATOM 741 CA VAL A 45 8.382 33.603 6.629 1.00 71.33 C ATOM 742 C VAL A 45 9.530 33.202 7.548 1.00 44.22 C ATOM 743 O VAL A 45 10.409 34.010 7.848 1.00 1.54 O ATOM 744 CB VAL A 45 7.278 34.274 7.467 1.00 1.22 C ATOM 745 CG1 VAL A 45 6.224 34.895 6.563 1.00 1.34 C ATOM 746 CG2 VAL A 45 6.649 33.270 8.422 1.00 44.15 C ATOM 0 H VAL A 45 6.869 32.284 6.023 1.00 64.30 H new ATOM 0 HA VAL A 45 8.746 34.313 5.886 1.00 71.33 H new ATOM 0 HB VAL A 45 7.729 35.070 8.059 1.00 1.22 H new ATOM 0 HG11 VAL A 45 5.452 35.364 7.173 1.00 1.34 H new ATOM 0 HG12 VAL A 45 6.689 35.646 5.925 1.00 1.34 H new ATOM 0 HG13 VAL A 45 5.774 34.120 5.942 1.00 1.34 H new ATOM 0 HG21 VAL A 45 5.871 33.762 9.006 1.00 44.15 H new ATOM 0 HG22 VAL A 45 6.212 32.450 7.852 1.00 44.15 H new ATOM 0 HG23 VAL A 45 7.413 32.878 9.093 1.00 44.15 H new ATOM 756 N ARG A 46 9.517 31.949 7.991 1.00 42.32 N ATOM 757 CA ARG A 46 10.558 31.441 8.877 1.00 54.23 C ATOM 758 C ARG A 46 11.714 30.850 8.075 1.00 54.22 C ATOM 759 O ARG A 46 12.597 30.197 8.631 1.00 62.15 O ATOM 760 CB ARG A 46 9.983 30.382 9.819 1.00 55.01 C ATOM 761 CG ARG A 46 9.417 30.956 11.107 1.00 34.05 C ATOM 762 CD ARG A 46 8.705 29.891 11.926 1.00 33.44 C ATOM 763 NE ARG A 46 8.243 30.406 13.212 1.00 11.43 N ATOM 764 CZ ARG A 46 7.427 29.740 14.021 1.00 21.34 C ATOM 765 NH1 ARG A 46 6.986 28.537 13.679 1.00 11.15 N ATOM 766 NH2 ARG A 46 7.051 30.276 15.176 1.00 65.24 N ATOM 0 H ARG A 46 8.797 31.267 7.751 1.00 42.32 H new ATOM 0 HA ARG A 46 10.937 32.275 9.467 1.00 54.23 H new ATOM 0 HB2 ARG A 46 9.197 29.834 9.299 1.00 55.01 H new ATOM 0 HB3 ARG A 46 10.765 29.663 10.064 1.00 55.01 H new ATOM 0 HG2 ARG A 46 10.223 31.392 11.697 1.00 34.05 H new ATOM 0 HG3 ARG A 46 8.721 31.762 10.873 1.00 34.05 H new ATOM 0 HD2 ARG A 46 7.854 29.509 11.362 1.00 33.44 H new ATOM 0 HD3 ARG A 46 9.380 29.051 12.093 1.00 33.44 H new ATOM 0 HE ARG A 46 8.565 31.328 13.505 1.00 11.43 H new ATOM 0 HH11 ARG A 46 7.273 28.121 12.793 1.00 11.15 H new ATOM 0 HH12 ARG A 46 6.359 28.027 14.302 1.00 11.15 H new ATOM 0 HH21 ARG A 46 7.389 31.201 15.443 1.00 65.24 H new ATOM 0 HH22 ARG A 46 6.424 29.763 15.796 1.00 65.24 H new ATOM 780 N ILE A 47 11.700 31.084 6.767 1.00 71.11 N ATOM 781 CA ILE A 47 12.747 30.575 5.890 1.00 51.34 C ATOM 782 C ILE A 47 13.272 31.671 4.968 1.00 71.22 C ATOM 783 O ILE A 47 14.396 32.145 5.128 1.00 5.12 O ATOM 784 CB ILE A 47 12.242 29.398 5.034 1.00 1.40 C ATOM 785 CG1 ILE A 47 11.783 28.247 5.931 1.00 15.43 C ATOM 786 CG2 ILE A 47 13.332 28.931 4.080 1.00 15.34 C ATOM 787 CD1 ILE A 47 10.759 27.344 5.279 1.00 1.42 C ATOM 0 H ILE A 47 10.976 31.622 6.292 1.00 71.11 H new ATOM 0 HA ILE A 47 13.555 30.225 6.533 1.00 51.34 H new ATOM 0 HB ILE A 47 11.390 29.736 4.444 1.00 1.40 H new ATOM 0 HG12 ILE A 47 12.650 27.652 6.217 1.00 15.43 H new ATOM 0 HG13 ILE A 47 11.361 28.658 6.848 1.00 15.43 H new ATOM 0 HG21 ILE A 47 12.960 28.099 3.482 1.00 15.34 H new ATOM 0 HG22 ILE A 47 13.616 29.752 3.422 1.00 15.34 H new ATOM 0 HG23 ILE A 47 14.202 28.607 4.652 1.00 15.34 H new ATOM 0 HD11 ILE A 47 10.479 26.551 5.972 1.00 1.42 H new ATOM 0 HD12 ILE A 47 9.875 27.926 5.018 1.00 1.42 H new ATOM 0 HD13 ILE A 47 11.184 26.904 4.377 1.00 1.42 H new ATOM 799 N SER A 48 12.449 32.069 4.003 1.00 2.50 N ATOM 800 CA SER A 48 12.831 33.108 3.054 1.00 50.43 C ATOM 801 C SER A 48 11.817 34.248 3.059 1.00 52.14 C ATOM 802 O SER A 48 12.169 35.409 2.847 1.00 65.52 O ATOM 803 CB SER A 48 12.950 32.523 1.645 1.00 23.13 C ATOM 804 OG SER A 48 14.071 33.059 0.963 1.00 15.51 O ATOM 0 H SER A 48 11.514 31.688 3.858 1.00 2.50 H new ATOM 0 HA SER A 48 13.800 33.505 3.358 1.00 50.43 H new ATOM 0 HB2 SER A 48 13.041 31.438 1.705 1.00 23.13 H new ATOM 0 HB3 SER A 48 12.042 32.736 1.082 1.00 23.13 H new ATOM 0 HG SER A 48 14.220 32.557 0.135 1.00 15.51 H new ATOM 810 N ASP A 49 10.556 33.908 3.302 1.00 52.32 N ATOM 811 CA ASP A 49 9.489 34.902 3.336 1.00 41.13 C ATOM 812 C ASP A 49 9.235 35.474 1.945 1.00 74.15 C ATOM 813 O ASP A 49 9.418 36.668 1.709 1.00 3.30 O ATOM 814 CB ASP A 49 9.844 36.029 4.307 1.00 53.11 C ATOM 815 CG ASP A 49 8.617 36.749 4.832 1.00 73.52 C ATOM 816 OD1 ASP A 49 7.539 36.607 4.218 1.00 34.11 O ATOM 817 OD2 ASP A 49 8.735 37.454 5.856 1.00 72.12 O ATOM 0 H ASP A 49 10.247 32.952 3.478 1.00 52.32 H new ATOM 0 HA ASP A 49 8.579 34.410 3.679 1.00 41.13 H new ATOM 0 HB2 ASP A 49 10.407 35.619 5.145 1.00 53.11 H new ATOM 0 HB3 ASP A 49 10.495 36.745 3.806 1.00 53.11 H new ATOM 822 N LYS A 50 8.812 34.613 1.025 1.00 54.10 N ATOM 823 CA LYS A 50 8.531 35.031 -0.344 1.00 23.05 C ATOM 824 C LYS A 50 7.949 33.879 -1.156 1.00 33.23 C ATOM 825 O LYS A 50 8.267 33.713 -2.333 1.00 71.13 O ATOM 826 CB LYS A 50 9.807 35.546 -1.013 1.00 5.53 C ATOM 827 CG LYS A 50 10.839 34.462 -1.272 1.00 1.25 C ATOM 828 CD LYS A 50 12.150 34.759 -0.562 1.00 73.30 C ATOM 829 CE LYS A 50 12.758 36.068 -1.040 1.00 2.35 C ATOM 830 NZ LYS A 50 14.229 35.954 -1.245 1.00 13.54 N ATOM 0 H LYS A 50 8.656 33.621 1.203 1.00 54.10 H new ATOM 0 HA LYS A 50 7.796 35.835 -0.308 1.00 23.05 H new ATOM 0 HB2 LYS A 50 9.545 36.020 -1.959 1.00 5.53 H new ATOM 0 HB3 LYS A 50 10.252 36.316 -0.383 1.00 5.53 H new ATOM 0 HG2 LYS A 50 10.451 33.501 -0.935 1.00 1.25 H new ATOM 0 HG3 LYS A 50 11.016 34.376 -2.344 1.00 1.25 H new ATOM 0 HD2 LYS A 50 11.980 34.807 0.514 1.00 73.30 H new ATOM 0 HD3 LYS A 50 12.853 33.945 -0.738 1.00 73.30 H new ATOM 0 HE2 LYS A 50 12.283 36.369 -1.974 1.00 2.35 H new ATOM 0 HE3 LYS A 50 12.553 36.852 -0.311 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 14.606 36.867 -1.571 1.00 13.54 H new ATOM 0 HZ2 LYS A 50 14.685 35.691 -0.348 1.00 13.54 H new ATOM 0 HZ3 LYS A 50 14.424 35.224 -1.960 1.00 13.54 H new ATOM 844 N VAL A 51 7.092 33.086 -0.519 1.00 64.34 N ATOM 845 CA VAL A 51 6.463 31.951 -1.184 1.00 22.42 C ATOM 846 C VAL A 51 5.775 32.382 -2.474 1.00 72.50 C ATOM 847 O VAL A 51 5.913 31.732 -3.511 1.00 14.22 O ATOM 848 CB VAL A 51 5.431 31.266 -0.268 1.00 61.22 C ATOM 849 CG1 VAL A 51 4.429 32.281 0.260 1.00 2.01 C ATOM 850 CG2 VAL A 51 4.723 30.143 -1.011 1.00 23.54 C ATOM 0 H VAL A 51 6.818 33.209 0.456 1.00 64.34 H new ATOM 0 HA VAL A 51 7.257 31.242 -1.419 1.00 22.42 H new ATOM 0 HB VAL A 51 5.957 30.833 0.583 1.00 61.22 H new ATOM 0 HG11 VAL A 51 3.708 31.779 0.905 1.00 2.01 H new ATOM 0 HG12 VAL A 51 4.954 33.048 0.830 1.00 2.01 H new ATOM 0 HG13 VAL A 51 3.906 32.745 -0.576 1.00 2.01 H new ATOM 0 HG21 VAL A 51 3.997 29.670 -0.349 1.00 23.54 H new ATOM 0 HG22 VAL A 51 4.209 30.550 -1.881 1.00 23.54 H new ATOM 0 HG23 VAL A 51 5.455 29.403 -1.335 1.00 23.54 H new ATOM 860 N VAL A 52 5.033 33.482 -2.403 1.00 51.34 N ATOM 861 CA VAL A 52 4.324 34.002 -3.566 1.00 55.03 C ATOM 862 C VAL A 52 5.279 34.244 -4.730 1.00 14.13 C ATOM 863 O VAL A 52 4.921 34.049 -5.891 1.00 25.13 O ATOM 864 CB VAL A 52 3.591 35.316 -3.236 1.00 30.01 C ATOM 865 CG1 VAL A 52 3.109 35.994 -4.510 1.00 21.25 C ATOM 866 CG2 VAL A 52 2.429 35.054 -2.289 1.00 44.31 C ATOM 0 H VAL A 52 4.907 34.030 -1.552 1.00 51.34 H new ATOM 0 HA VAL A 52 3.591 33.248 -3.852 1.00 55.03 H new ATOM 0 HB VAL A 52 4.291 35.987 -2.739 1.00 30.01 H new ATOM 0 HG11 VAL A 52 2.594 36.920 -4.257 1.00 21.25 H new ATOM 0 HG12 VAL A 52 3.963 36.217 -5.149 1.00 21.25 H new ATOM 0 HG13 VAL A 52 2.424 35.331 -5.038 1.00 21.25 H new ATOM 0 HG21 VAL A 52 1.922 35.993 -2.066 1.00 44.31 H new ATOM 0 HG22 VAL A 52 1.726 34.365 -2.757 1.00 44.31 H new ATOM 0 HG23 VAL A 52 2.805 34.616 -1.364 1.00 44.31 H new ATOM 876 N GLY A 53 6.497 34.671 -4.410 1.00 34.44 N ATOM 877 CA GLY A 53 7.485 34.932 -5.439 1.00 44.12 C ATOM 878 C GLY A 53 7.997 33.661 -6.088 1.00 51.31 C ATOM 879 O GLY A 53 8.350 33.658 -7.268 1.00 35.31 O ATOM 0 H GLY A 53 6.816 34.841 -3.456 1.00 34.44 H new ATOM 0 HA2 GLY A 53 7.048 35.576 -6.203 1.00 44.12 H new ATOM 0 HA3 GLY A 53 8.323 35.477 -5.004 1.00 44.12 H new ATOM 883 N ILE A 54 8.039 32.580 -5.316 1.00 40.54 N ATOM 884 CA ILE A 54 8.512 31.298 -5.824 1.00 11.44 C ATOM 885 C ILE A 54 7.453 30.626 -6.690 1.00 71.33 C ATOM 886 O ILE A 54 7.771 29.980 -7.690 1.00 23.33 O ATOM 887 CB ILE A 54 8.900 30.347 -4.676 1.00 12.41 C ATOM 888 CG1 ILE A 54 9.987 30.980 -3.805 1.00 44.45 C ATOM 889 CG2 ILE A 54 9.369 29.011 -5.231 1.00 42.01 C ATOM 890 CD1 ILE A 54 9.750 30.809 -2.321 1.00 74.25 C ATOM 0 H ILE A 54 7.752 32.566 -4.337 1.00 40.54 H new ATOM 0 HA ILE A 54 9.395 31.504 -6.429 1.00 11.44 H new ATOM 0 HB ILE A 54 8.021 30.172 -4.056 1.00 12.41 H new ATOM 0 HG12 ILE A 54 10.950 30.540 -4.064 1.00 44.45 H new ATOM 0 HG13 ILE A 54 10.051 32.044 -4.034 1.00 44.45 H new ATOM 0 HG21 ILE A 54 9.640 28.350 -4.408 1.00 42.01 H new ATOM 0 HG22 ILE A 54 8.567 28.557 -5.813 1.00 42.01 H new ATOM 0 HG23 ILE A 54 10.237 29.168 -5.871 1.00 42.01 H new ATOM 0 HD11 ILE A 54 10.560 31.283 -1.766 1.00 74.25 H new ATOM 0 HD12 ILE A 54 8.803 31.274 -2.048 1.00 74.25 H new ATOM 0 HD13 ILE A 54 9.716 29.747 -2.078 1.00 74.25 H new ATOM 902 N LEU A 55 6.192 30.783 -6.303 1.00 21.45 N ATOM 903 CA LEU A 55 5.084 30.192 -7.045 1.00 61.12 C ATOM 904 C LEU A 55 5.165 30.555 -8.524 1.00 52.44 C ATOM 905 O LEU A 55 4.744 29.785 -9.387 1.00 21.23 O ATOM 906 CB LEU A 55 3.748 30.660 -6.465 1.00 44.43 C ATOM 907 CG LEU A 55 3.434 30.195 -5.043 1.00 50.30 C ATOM 908 CD1 LEU A 55 2.016 30.586 -4.655 1.00 24.22 C ATOM 909 CD2 LEU A 55 3.628 28.691 -4.919 1.00 13.02 C ATOM 0 H LEU A 55 5.911 31.315 -5.479 1.00 21.45 H new ATOM 0 HA LEU A 55 5.153 29.108 -6.951 1.00 61.12 H new ATOM 0 HB2 LEU A 55 3.729 31.750 -6.482 1.00 44.43 H new ATOM 0 HB3 LEU A 55 2.949 30.317 -7.123 1.00 44.43 H new ATOM 0 HG LEU A 55 4.125 30.688 -4.359 1.00 50.30 H new ATOM 0 HD11 LEU A 55 1.810 30.247 -3.640 1.00 24.22 H new ATOM 0 HD12 LEU A 55 1.911 31.670 -4.704 1.00 24.22 H new ATOM 0 HD13 LEU A 55 1.309 30.122 -5.343 1.00 24.22 H new ATOM 0 HD21 LEU A 55 3.400 28.378 -3.900 1.00 13.02 H new ATOM 0 HD22 LEU A 55 2.962 28.180 -5.614 1.00 13.02 H new ATOM 0 HD23 LEU A 55 4.662 28.437 -5.154 1.00 13.02 H new ATOM 921 N MET A 56 5.710 31.733 -8.810 1.00 41.20 N ATOM 922 CA MET A 56 5.849 32.197 -10.186 1.00 22.04 C ATOM 923 C MET A 56 6.621 31.184 -11.025 1.00 44.33 C ATOM 924 O MET A 56 6.399 31.065 -12.230 1.00 75.41 O ATOM 925 CB MET A 56 6.558 33.552 -10.220 1.00 42.23 C ATOM 926 CG MET A 56 5.686 34.706 -9.754 1.00 1.53 C ATOM 927 SD MET A 56 4.687 35.403 -11.083 1.00 11.51 S ATOM 928 CE MET A 56 5.273 37.096 -11.095 1.00 13.11 C ATOM 0 H MET A 56 6.062 32.383 -8.108 1.00 41.20 H new ATOM 0 HA MET A 56 4.851 32.307 -10.609 1.00 22.04 H new ATOM 0 HB2 MET A 56 7.448 33.503 -9.592 1.00 42.23 H new ATOM 0 HB3 MET A 56 6.896 33.751 -11.237 1.00 42.23 H new ATOM 0 HG2 MET A 56 5.030 34.361 -8.955 1.00 1.53 H new ATOM 0 HG3 MET A 56 6.319 35.487 -9.332 1.00 1.53 H new ATOM 0 HE1 MET A 56 4.747 37.657 -11.867 1.00 13.11 H new ATOM 0 HE2 MET A 56 5.085 37.553 -10.123 1.00 13.11 H new ATOM 0 HE3 MET A 56 6.343 37.109 -11.302 1.00 13.11 H new ATOM 938 N ARG A 57 7.530 30.458 -10.381 1.00 54.45 N ATOM 939 CA ARG A 57 8.335 29.457 -11.070 1.00 5.40 C ATOM 940 C ARG A 57 7.540 28.173 -11.284 1.00 63.24 C ATOM 941 O ARG A 57 7.426 27.682 -12.407 1.00 53.11 O ATOM 942 CB ARG A 57 9.605 29.157 -10.271 1.00 61.44 C ATOM 943 CG ARG A 57 10.388 27.965 -10.798 1.00 42.34 C ATOM 944 CD ARG A 57 11.597 27.663 -9.926 1.00 40.45 C ATOM 945 NE ARG A 57 12.447 28.837 -9.744 1.00 30.11 N ATOM 946 CZ ARG A 57 13.284 29.289 -10.671 1.00 3.23 C ATOM 947 NH1 ARG A 57 13.383 28.670 -11.839 1.00 31.22 N ATOM 948 NH2 ARG A 57 14.025 30.364 -10.430 1.00 32.40 N ATOM 0 H ARG A 57 7.727 30.545 -9.384 1.00 54.45 H new ATOM 0 HA ARG A 57 8.613 29.858 -12.045 1.00 5.40 H new ATOM 0 HB2 ARG A 57 10.248 30.037 -10.282 1.00 61.44 H new ATOM 0 HB3 ARG A 57 9.335 28.973 -9.231 1.00 61.44 H new ATOM 0 HG2 ARG A 57 9.739 27.090 -10.837 1.00 42.34 H new ATOM 0 HG3 ARG A 57 10.715 28.165 -11.818 1.00 42.34 H new ATOM 0 HD2 ARG A 57 11.262 27.304 -8.953 1.00 40.45 H new ATOM 0 HD3 ARG A 57 12.179 26.860 -10.379 1.00 40.45 H new ATOM 0 HE ARG A 57 12.395 29.337 -8.856 1.00 30.11 H new ATOM 0 HH11 ARG A 57 12.815 27.844 -12.028 1.00 31.22 H new ATOM 0 HH12 ARG A 57 14.027 29.020 -12.549 1.00 31.22 H new ATOM 0 HH21 ARG A 57 13.952 30.843 -9.533 1.00 32.40 H new ATOM 0 HH22 ARG A 57 14.668 30.711 -11.142 1.00 32.40 H new ATOM 962 N ALA A 58 6.994 27.633 -10.200 1.00 14.43 N ATOM 963 CA ALA A 58 6.208 26.407 -10.269 1.00 44.42 C ATOM 964 C ALA A 58 5.029 26.564 -11.223 1.00 40.10 C ATOM 965 O ALA A 58 4.621 25.608 -11.882 1.00 55.14 O ATOM 966 CB ALA A 58 5.720 26.014 -8.883 1.00 11.21 C ATOM 0 H ALA A 58 7.081 28.025 -9.263 1.00 14.43 H new ATOM 0 HA ALA A 58 6.850 25.614 -10.654 1.00 44.42 H new ATOM 0 HB1 ALA A 58 5.135 25.097 -8.950 1.00 11.21 H new ATOM 0 HB2 ALA A 58 6.576 25.851 -8.228 1.00 11.21 H new ATOM 0 HB3 ALA A 58 5.099 26.812 -8.476 1.00 11.21 H new ATOM 972 N ARG A 59 4.486 27.775 -11.291 1.00 14.03 N ATOM 973 CA ARG A 59 3.351 28.056 -12.163 1.00 25.22 C ATOM 974 C ARG A 59 3.738 27.887 -13.629 1.00 44.41 C ATOM 975 O ARG A 59 2.898 27.575 -14.473 1.00 33.34 O ATOM 976 CB ARG A 59 2.834 29.475 -11.921 1.00 32.14 C ATOM 977 CG ARG A 59 1.418 29.701 -12.424 1.00 74.32 C ATOM 978 CD ARG A 59 1.323 30.957 -13.276 1.00 31.10 C ATOM 979 NE ARG A 59 -0.062 31.318 -13.567 1.00 70.30 N ATOM 980 CZ ARG A 59 -0.826 30.662 -14.434 1.00 44.20 C ATOM 981 NH1 ARG A 59 -0.341 29.617 -15.091 1.00 55.42 N ATOM 982 NH2 ARG A 59 -2.077 31.051 -14.645 1.00 4.23 N ATOM 0 H ARG A 59 4.813 28.577 -10.753 1.00 14.03 H new ATOM 0 HA ARG A 59 2.560 27.344 -11.929 1.00 25.22 H new ATOM 0 HB2 ARG A 59 2.869 29.688 -10.853 1.00 32.14 H new ATOM 0 HB3 ARG A 59 3.502 30.184 -12.410 1.00 32.14 H new ATOM 0 HG2 ARG A 59 1.096 28.839 -13.008 1.00 74.32 H new ATOM 0 HG3 ARG A 59 0.738 29.783 -11.576 1.00 74.32 H new ATOM 0 HD2 ARG A 59 1.812 31.783 -12.760 1.00 31.10 H new ATOM 0 HD3 ARG A 59 1.861 30.802 -14.211 1.00 31.10 H new ATOM 0 HE ARG A 59 -0.465 32.117 -13.078 1.00 70.30 H new ATOM 0 HH11 ARG A 59 0.620 29.315 -14.931 1.00 55.42 H new ATOM 0 HH12 ARG A 59 -0.929 29.115 -15.756 1.00 55.42 H new ATOM 0 HH21 ARG A 59 -2.453 31.854 -14.141 1.00 4.23 H new ATOM 0 HH22 ARG A 59 -2.662 30.547 -15.311 1.00 4.23 H new ATOM 996 N LYS A 60 5.016 28.097 -13.926 1.00 43.33 N ATOM 997 CA LYS A 60 5.516 27.968 -15.290 1.00 4.42 C ATOM 998 C LYS A 60 5.116 26.625 -15.892 1.00 13.33 C ATOM 999 O LYS A 60 4.868 26.521 -17.094 1.00 3.34 O ATOM 1000 CB LYS A 60 7.040 28.115 -15.312 1.00 54.13 C ATOM 1001 CG LYS A 60 7.528 29.466 -14.820 1.00 12.53 C ATOM 1002 CD LYS A 60 7.784 30.421 -15.974 1.00 12.44 C ATOM 1003 CE LYS A 60 7.094 31.759 -15.754 1.00 32.12 C ATOM 1004 NZ LYS A 60 6.562 32.324 -17.025 1.00 12.13 N ATOM 0 H LYS A 60 5.725 28.357 -13.240 1.00 43.33 H new ATOM 0 HA LYS A 60 5.071 28.762 -15.890 1.00 4.42 H new ATOM 0 HB2 LYS A 60 7.481 27.332 -14.695 1.00 54.13 H new ATOM 0 HB3 LYS A 60 7.397 27.958 -16.330 1.00 54.13 H new ATOM 0 HG2 LYS A 60 6.788 29.898 -14.147 1.00 12.53 H new ATOM 0 HG3 LYS A 60 8.445 29.335 -14.245 1.00 12.53 H new ATOM 0 HD2 LYS A 60 8.857 30.578 -16.087 1.00 12.44 H new ATOM 0 HD3 LYS A 60 7.428 29.975 -16.903 1.00 12.44 H new ATOM 0 HE2 LYS A 60 6.278 31.634 -15.042 1.00 32.12 H new ATOM 0 HE3 LYS A 60 7.799 32.463 -15.311 1.00 32.12 H new ATOM 0 HZ1 LYS A 60 6.099 33.235 -16.833 1.00 12.13 H new ATOM 0 HZ2 LYS A 60 7.344 32.467 -17.695 1.00 12.13 H new ATOM 0 HZ3 LYS A 60 5.870 31.665 -17.435 1.00 12.13 H new ATOM 1018 N HIS A 61 5.052 25.599 -15.049 1.00 10.53 N ATOM 1019 CA HIS A 61 4.679 24.263 -15.498 1.00 33.12 C ATOM 1020 C HIS A 61 3.346 23.837 -14.889 1.00 2.43 C ATOM 1021 O HIS A 61 3.124 22.658 -14.618 1.00 4.01 O ATOM 1022 CB HIS A 61 5.767 23.255 -15.127 1.00 61.04 C ATOM 1023 CG HIS A 61 7.100 23.562 -15.737 1.00 62.33 C ATOM 1024 ND1 HIS A 61 7.529 23.009 -16.926 1.00 1.23 N ATOM 1025 CD2 HIS A 61 8.101 24.370 -15.317 1.00 51.53 C ATOM 1026 CE1 HIS A 61 8.737 23.463 -17.209 1.00 53.53 C ATOM 1027 NE2 HIS A 61 9.106 24.292 -16.249 1.00 64.22 N ATOM 0 H HIS A 61 5.254 25.668 -14.051 1.00 10.53 H new ATOM 0 HA HIS A 61 4.572 24.288 -16.582 1.00 33.12 H new ATOM 0 HB2 HIS A 61 5.871 23.227 -14.042 1.00 61.04 H new ATOM 0 HB3 HIS A 61 5.452 22.260 -15.443 1.00 61.04 H new ATOM 0 HD2 HIS A 61 8.108 24.966 -14.416 1.00 51.53 H new ATOM 0 HE1 HIS A 61 9.323 23.201 -18.077 1.00 53.53 H new ATOM 0 HE2 HIS A 61 9.994 24.793 -16.207 1.00 64.22 H new ATOM 1035 N GLY A 62 2.462 24.807 -14.675 1.00 11.21 N ATOM 1036 CA GLY A 62 1.163 24.513 -14.098 1.00 60.15 C ATOM 1037 C GLY A 62 1.266 23.714 -12.815 1.00 22.34 C ATOM 1038 O GLY A 62 0.869 22.549 -12.766 1.00 65.52 O ATOM 0 H GLY A 62 2.622 25.791 -14.891 1.00 11.21 H new ATOM 0 HA2 GLY A 62 0.637 25.447 -13.899 1.00 60.15 H new ATOM 0 HA3 GLY A 62 0.565 23.958 -14.821 1.00 60.15 H new ATOM 1042 N LEU A 63 1.801 24.339 -11.772 1.00 25.11 N ATOM 1043 CA LEU A 63 1.958 23.678 -10.481 1.00 35.21 C ATOM 1044 C LEU A 63 1.072 24.331 -9.424 1.00 63.32 C ATOM 1045 O LEU A 63 0.691 23.696 -8.440 1.00 51.44 O ATOM 1046 CB LEU A 63 3.420 23.723 -10.036 1.00 4.20 C ATOM 1047 CG LEU A 63 3.745 23.009 -8.724 1.00 24.32 C ATOM 1048 CD1 LEU A 63 3.415 23.898 -7.535 1.00 41.45 C ATOM 1049 CD2 LEU A 63 2.989 21.691 -8.632 1.00 42.34 C ATOM 0 H LEU A 63 2.134 25.303 -11.795 1.00 25.11 H new ATOM 0 HA LEU A 63 1.652 22.638 -10.594 1.00 35.21 H new ATOM 0 HB2 LEU A 63 4.033 23.287 -10.825 1.00 4.20 H new ATOM 0 HB3 LEU A 63 3.718 24.767 -9.942 1.00 4.20 H new ATOM 0 HG LEU A 63 4.814 22.795 -8.706 1.00 24.32 H new ATOM 0 HD11 LEU A 63 3.653 23.372 -6.610 1.00 41.45 H new ATOM 0 HD12 LEU A 63 4.001 24.815 -7.592 1.00 41.45 H new ATOM 0 HD13 LEU A 63 2.353 24.145 -7.549 1.00 41.45 H new ATOM 0 HD21 LEU A 63 3.233 21.197 -7.692 1.00 42.34 H new ATOM 0 HD22 LEU A 63 1.917 21.883 -8.674 1.00 42.34 H new ATOM 0 HD23 LEU A 63 3.275 21.048 -9.465 1.00 42.34 H new ATOM 1061 N VAL A 64 0.747 25.602 -9.636 1.00 11.15 N ATOM 1062 CA VAL A 64 -0.097 26.341 -8.703 1.00 65.52 C ATOM 1063 C VAL A 64 -1.396 26.780 -9.368 1.00 12.21 C ATOM 1064 O VAL A 64 -1.386 27.562 -10.319 1.00 71.25 O ATOM 1065 CB VAL A 64 0.630 27.581 -8.151 1.00 0.22 C ATOM 1066 CG1 VAL A 64 1.734 27.169 -7.189 1.00 43.42 C ATOM 1067 CG2 VAL A 64 1.189 28.422 -9.289 1.00 31.40 C ATOM 0 H VAL A 64 1.055 26.142 -10.445 1.00 11.15 H new ATOM 0 HA VAL A 64 -0.325 25.666 -7.878 1.00 65.52 H new ATOM 0 HB VAL A 64 -0.090 28.188 -7.602 1.00 0.22 H new ATOM 0 HG11 VAL A 64 2.236 28.059 -6.809 1.00 43.42 H new ATOM 0 HG12 VAL A 64 1.303 26.613 -6.357 1.00 43.42 H new ATOM 0 HG13 VAL A 64 2.455 26.540 -7.711 1.00 43.42 H new ATOM 0 HG21 VAL A 64 1.699 29.294 -8.880 1.00 31.40 H new ATOM 0 HG22 VAL A 64 1.895 27.827 -9.868 1.00 31.40 H new ATOM 0 HG23 VAL A 64 0.374 28.748 -9.935 1.00 31.40 H new ATOM 1077 N HIS A 65 -2.515 26.273 -8.860 1.00 52.30 N ATOM 1078 CA HIS A 65 -3.825 26.615 -9.404 1.00 21.31 C ATOM 1079 C HIS A 65 -4.345 27.913 -8.794 1.00 21.23 C ATOM 1080 O HIS A 65 -5.467 28.336 -9.073 1.00 30.15 O ATOM 1081 CB HIS A 65 -4.819 25.482 -9.146 1.00 2.05 C ATOM 1082 CG HIS A 65 -5.725 25.205 -10.305 1.00 34.40 C ATOM 1083 ND1 HIS A 65 -6.469 24.049 -10.419 1.00 64.25 N ATOM 1084 CD2 HIS A 65 -6.008 25.942 -11.404 1.00 43.13 C ATOM 1085 CE1 HIS A 65 -7.167 24.086 -11.540 1.00 15.51 C ATOM 1086 NE2 HIS A 65 -6.906 25.225 -12.156 1.00 10.31 N ATOM 0 H HIS A 65 -2.541 25.624 -8.073 1.00 52.30 H new ATOM 0 HA HIS A 65 -3.719 26.757 -10.479 1.00 21.31 H new ATOM 0 HB2 HIS A 65 -4.267 24.574 -8.902 1.00 2.05 H new ATOM 0 HB3 HIS A 65 -5.424 25.732 -8.274 1.00 2.05 H new ATOM 0 HD2 HIS A 65 -5.603 26.914 -11.645 1.00 43.13 H new ATOM 0 HE1 HIS A 65 -7.837 23.316 -11.893 1.00 15.51 H new ATOM 0 HE2 HIS A 65 -7.306 25.523 -13.045 1.00 10.31 H new ATOM 1094 N PHE A 66 -3.522 28.540 -7.959 1.00 53.05 N ATOM 1095 CA PHE A 66 -3.900 29.789 -7.308 1.00 41.04 C ATOM 1096 C PHE A 66 -4.276 30.848 -8.340 1.00 53.24 C ATOM 1097 O PHE A 66 -3.926 30.737 -9.515 1.00 20.24 O ATOM 1098 CB PHE A 66 -2.754 30.299 -6.432 1.00 62.03 C ATOM 1099 CG PHE A 66 -1.723 31.085 -7.191 1.00 53.32 C ATOM 1100 CD1 PHE A 66 -1.145 30.568 -8.339 1.00 53.14 C ATOM 1101 CD2 PHE A 66 -1.333 32.342 -6.757 1.00 32.22 C ATOM 1102 CE1 PHE A 66 -0.196 31.289 -9.039 1.00 13.31 C ATOM 1103 CE2 PHE A 66 -0.385 33.068 -7.453 1.00 21.14 C ATOM 1104 CZ PHE A 66 0.183 32.541 -8.596 1.00 4.22 C ATOM 0 H PHE A 66 -2.590 28.204 -7.718 1.00 53.05 H new ATOM 0 HA PHE A 66 -4.769 29.594 -6.680 1.00 41.04 H new ATOM 0 HB2 PHE A 66 -3.164 30.924 -5.639 1.00 62.03 H new ATOM 0 HB3 PHE A 66 -2.270 29.450 -5.950 1.00 62.03 H new ATOM 0 HD1 PHE A 66 -1.439 29.590 -8.691 1.00 53.14 H new ATOM 0 HD2 PHE A 66 -1.775 32.759 -5.864 1.00 32.22 H new ATOM 0 HE1 PHE A 66 0.249 30.874 -9.931 1.00 13.31 H new ATOM 0 HE2 PHE A 66 -0.089 34.046 -7.103 1.00 21.14 H new ATOM 0 HZ PHE A 66 0.923 33.107 -9.143 1.00 4.22 H new ATOM 1114 N GLU A 67 -4.993 31.874 -7.892 1.00 44.51 N ATOM 1115 CA GLU A 67 -5.418 32.953 -8.777 1.00 22.32 C ATOM 1116 C GLU A 67 -4.216 33.742 -9.289 1.00 14.11 C ATOM 1117 O GLU A 67 -3.068 33.372 -9.048 1.00 12.24 O ATOM 1118 CB GLU A 67 -6.384 33.889 -8.048 1.00 52.03 C ATOM 1119 CG GLU A 67 -5.792 34.525 -6.802 1.00 51.20 C ATOM 1120 CD GLU A 67 -6.394 35.883 -6.498 1.00 14.22 C ATOM 1121 OE1 GLU A 67 -7.584 35.935 -6.123 1.00 33.51 O ATOM 1122 OE2 GLU A 67 -5.675 36.895 -6.635 1.00 22.33 O ATOM 0 H GLU A 67 -5.292 31.981 -6.923 1.00 44.51 H new ATOM 0 HA GLU A 67 -5.929 32.509 -9.631 1.00 22.32 H new ATOM 0 HB2 GLU A 67 -6.700 34.676 -8.733 1.00 52.03 H new ATOM 0 HB3 GLU A 67 -7.278 33.330 -7.771 1.00 52.03 H new ATOM 0 HG2 GLU A 67 -5.950 33.863 -5.951 1.00 51.20 H new ATOM 0 HG3 GLU A 67 -4.714 34.630 -6.929 1.00 51.20 H new ATOM 1129 N GLY A 68 -4.491 34.833 -9.998 1.00 61.34 N ATOM 1130 CA GLY A 68 -3.424 35.657 -10.534 1.00 44.13 C ATOM 1131 C GLY A 68 -3.236 36.943 -9.753 1.00 71.42 C ATOM 1132 O GLY A 68 -3.827 37.121 -8.689 1.00 34.10 O ATOM 0 H GLY A 68 -5.433 35.160 -10.210 1.00 61.34 H new ATOM 0 HA2 GLY A 68 -2.493 35.091 -10.525 1.00 44.13 H new ATOM 0 HA3 GLY A 68 -3.642 35.896 -11.575 1.00 44.13 H new ATOM 1136 N GLU A 69 -2.410 37.839 -10.282 1.00 45.51 N ATOM 1137 CA GLU A 69 -2.144 39.114 -9.625 1.00 33.22 C ATOM 1138 C GLU A 69 -1.494 38.898 -8.261 1.00 61.23 C ATOM 1139 O GLU A 69 -1.654 39.710 -7.350 1.00 64.44 O ATOM 1140 CB GLU A 69 -3.441 39.909 -9.463 1.00 53.31 C ATOM 1141 CG GLU A 69 -4.218 40.077 -10.758 1.00 42.34 C ATOM 1142 CD GLU A 69 -5.570 40.730 -10.547 1.00 72.24 C ATOM 1143 OE1 GLU A 69 -5.917 41.015 -9.382 1.00 63.02 O ATOM 1144 OE2 GLU A 69 -6.282 40.955 -11.549 1.00 10.34 O ATOM 0 H GLU A 69 -1.913 37.706 -11.163 1.00 45.51 H new ATOM 0 HA GLU A 69 -1.455 39.680 -10.252 1.00 33.22 H new ATOM 0 HB2 GLU A 69 -4.075 39.408 -8.731 1.00 53.31 H new ATOM 0 HB3 GLU A 69 -3.206 40.894 -9.060 1.00 53.31 H new ATOM 0 HG2 GLU A 69 -3.633 40.679 -11.453 1.00 42.34 H new ATOM 0 HG3 GLU A 69 -4.359 39.101 -11.222 1.00 42.34 H new ATOM 1151 N MET A 70 -0.761 37.797 -8.130 1.00 1.13 N ATOM 1152 CA MET A 70 -0.086 37.474 -6.878 1.00 42.21 C ATOM 1153 C MET A 70 -1.089 37.348 -5.736 1.00 50.20 C ATOM 1154 O MET A 70 -2.299 37.438 -5.947 1.00 34.43 O ATOM 1155 CB MET A 70 0.954 38.546 -6.543 1.00 72.54 C ATOM 1156 CG MET A 70 1.573 39.196 -7.770 1.00 21.40 C ATOM 1157 SD MET A 70 3.001 40.220 -7.367 1.00 22.11 S ATOM 1158 CE MET A 70 2.812 41.547 -8.554 1.00 53.42 C ATOM 0 H MET A 70 -0.619 37.114 -8.874 1.00 1.13 H new ATOM 0 HA MET A 70 0.418 36.515 -7.003 1.00 42.21 H new ATOM 0 HB2 MET A 70 0.485 39.317 -5.931 1.00 72.54 H new ATOM 0 HB3 MET A 70 1.745 38.098 -5.941 1.00 72.54 H new ATOM 0 HG2 MET A 70 1.874 38.421 -8.474 1.00 21.40 H new ATOM 0 HG3 MET A 70 0.822 39.807 -8.271 1.00 21.40 H new ATOM 0 HE1 MET A 70 3.623 42.264 -8.430 1.00 53.42 H new ATOM 0 HE2 MET A 70 2.840 41.138 -9.564 1.00 53.42 H new ATOM 0 HE3 MET A 70 1.857 42.047 -8.391 1.00 53.42 H new ATOM 1168 N LEU A 71 -0.579 37.140 -4.527 1.00 73.01 N ATOM 1169 CA LEU A 71 -1.431 37.001 -3.351 1.00 52.40 C ATOM 1170 C LEU A 71 -0.961 37.919 -2.227 1.00 22.43 C ATOM 1171 O LEU A 71 0.182 37.830 -1.777 1.00 72.32 O ATOM 1172 CB LEU A 71 -1.439 35.549 -2.871 1.00 3.24 C ATOM 1173 CG LEU A 71 -1.754 34.493 -3.931 1.00 1.15 C ATOM 1174 CD1 LEU A 71 -1.932 33.127 -3.287 1.00 25.15 C ATOM 1175 CD2 LEU A 71 -2.998 34.881 -4.716 1.00 34.52 C ATOM 0 H LEU A 71 0.420 37.064 -4.335 1.00 73.01 H new ATOM 0 HA LEU A 71 -2.444 37.289 -3.630 1.00 52.40 H new ATOM 0 HB2 LEU A 71 -0.463 35.324 -2.442 1.00 3.24 H new ATOM 0 HB3 LEU A 71 -2.169 35.457 -2.067 1.00 3.24 H new ATOM 0 HG LEU A 71 -0.914 34.438 -4.623 1.00 1.15 H new ATOM 0 HD11 LEU A 71 -2.156 32.388 -4.057 1.00 25.15 H new ATOM 0 HD12 LEU A 71 -1.014 32.846 -2.770 1.00 25.15 H new ATOM 0 HD13 LEU A 71 -2.754 33.166 -2.572 1.00 25.15 H new ATOM 0 HD21 LEU A 71 -3.208 34.118 -5.466 1.00 34.52 H new ATOM 0 HD22 LEU A 71 -3.846 34.964 -4.036 1.00 34.52 H new ATOM 0 HD23 LEU A 71 -2.833 35.839 -5.209 1.00 34.52 H new ATOM 1187 N TRP A 72 -1.849 38.797 -1.776 1.00 72.22 N ATOM 1188 CA TRP A 72 -1.525 39.729 -0.702 1.00 52.13 C ATOM 1189 C TRP A 72 -1.951 39.170 0.651 1.00 53.12 C ATOM 1190 O TRP A 72 -3.080 38.706 0.812 1.00 24.11 O ATOM 1191 CB TRP A 72 -2.204 41.078 -0.948 1.00 30.44 C ATOM 1192 CG TRP A 72 -1.848 41.690 -2.268 1.00 52.24 C ATOM 1193 CD1 TRP A 72 -2.715 42.110 -3.237 1.00 45.10 C ATOM 1194 CD2 TRP A 72 -0.531 41.949 -2.766 1.00 1.33 C ATOM 1195 NE1 TRP A 72 -2.015 42.615 -4.307 1.00 20.24 N ATOM 1196 CE2 TRP A 72 -0.674 42.528 -4.042 1.00 2.31 C ATOM 1197 CE3 TRP A 72 0.755 41.751 -2.257 1.00 22.35 C ATOM 1198 CZ2 TRP A 72 0.421 42.908 -4.814 1.00 1.05 C ATOM 1199 CZ3 TRP A 72 1.841 42.128 -3.024 1.00 31.13 C ATOM 1200 CH2 TRP A 72 1.669 42.702 -4.290 1.00 73.14 C ATOM 0 H TRP A 72 -2.799 38.883 -2.137 1.00 72.22 H new ATOM 0 HA TRP A 72 -0.444 39.871 -0.691 1.00 52.13 H new ATOM 0 HB2 TRP A 72 -3.285 40.947 -0.896 1.00 30.44 H new ATOM 0 HB3 TRP A 72 -1.927 41.767 -0.150 1.00 30.44 H new ATOM 0 HD1 TRP A 72 -3.792 42.054 -3.172 1.00 45.10 H new ATOM 0 HE1 TRP A 72 -2.427 42.993 -5.160 1.00 20.24 H new ATOM 0 HE3 TRP A 72 0.898 41.311 -1.281 1.00 22.35 H new ATOM 0 HZ2 TRP A 72 0.290 43.349 -5.791 1.00 1.05 H new ATOM 0 HZ3 TRP A 72 2.839 41.977 -2.641 1.00 31.13 H new ATOM 0 HH2 TRP A 72 2.538 42.988 -4.864 1.00 73.14 H new ATOM 1211 N GLN A 73 -1.042 39.218 1.619 1.00 12.31 N ATOM 1212 CA GLN A 73 -1.326 38.716 2.958 1.00 22.31 C ATOM 1213 C GLN A 73 -2.484 39.479 3.592 1.00 3.23 C ATOM 1214 O GLN A 73 -2.399 40.687 3.809 1.00 12.22 O ATOM 1215 CB GLN A 73 -0.082 38.826 3.841 1.00 2.34 C ATOM 1216 CG GLN A 73 -0.169 38.009 5.120 1.00 1.12 C ATOM 1217 CD GLN A 73 -0.467 38.861 6.338 1.00 1.11 C ATOM 1218 OE1 GLN A 73 -1.396 39.669 6.333 1.00 40.24 O ATOM 1219 NE2 GLN A 73 0.322 38.685 7.392 1.00 72.43 N ATOM 0 H GLN A 73 -0.103 39.599 1.501 1.00 12.31 H new ATOM 0 HA GLN A 73 -1.611 37.667 2.873 1.00 22.31 H new ATOM 0 HB2 GLN A 73 0.788 38.501 3.271 1.00 2.34 H new ATOM 0 HB3 GLN A 73 0.079 39.873 4.099 1.00 2.34 H new ATOM 0 HG2 GLN A 73 -0.947 37.253 5.011 1.00 1.12 H new ATOM 0 HG3 GLN A 73 0.771 37.480 5.273 1.00 1.12 H new ATOM 0 HE21 GLN A 73 1.081 38.004 7.353 1.00 72.43 H new ATOM 0 HE22 GLN A 73 0.169 39.231 8.240 1.00 72.43 H new ATOM 1228 N GLY A 74 -3.566 38.765 3.887 1.00 11.44 N ATOM 1229 CA GLY A 74 -4.726 39.393 4.493 1.00 21.34 C ATOM 1230 C GLY A 74 -5.866 39.574 3.511 1.00 12.43 C ATOM 1231 O GLY A 74 -6.999 39.851 3.907 1.00 43.10 O ATOM 0 H GLY A 74 -3.660 37.764 3.717 1.00 11.44 H new ATOM 0 HA2 GLY A 74 -5.066 38.787 5.333 1.00 21.34 H new ATOM 0 HA3 GLY A 74 -4.440 40.364 4.896 1.00 21.34 H new ATOM 1235 N LYS A 75 -5.568 39.420 2.226 1.00 42.33 N ATOM 1236 CA LYS A 75 -6.576 39.569 1.183 1.00 43.34 C ATOM 1237 C LYS A 75 -6.689 38.297 0.349 1.00 25.33 C ATOM 1238 O LYS A 75 -7.788 37.872 -0.006 1.00 61.24 O ATOM 1239 CB LYS A 75 -6.232 40.755 0.278 1.00 21.02 C ATOM 1240 CG LYS A 75 -5.816 42.001 1.041 1.00 51.03 C ATOM 1241 CD LYS A 75 -6.969 42.570 1.851 1.00 60.23 C ATOM 1242 CE LYS A 75 -6.604 43.907 2.477 1.00 21.10 C ATOM 1243 NZ LYS A 75 -6.817 45.038 1.533 1.00 40.44 N ATOM 0 H LYS A 75 -4.636 39.192 1.881 1.00 42.33 H new ATOM 0 HA LYS A 75 -7.536 39.753 1.665 1.00 43.34 H new ATOM 0 HB2 LYS A 75 -5.426 40.465 -0.396 1.00 21.02 H new ATOM 0 HB3 LYS A 75 -7.097 40.991 -0.343 1.00 21.02 H new ATOM 0 HG2 LYS A 75 -4.986 41.761 1.706 1.00 51.03 H new ATOM 0 HG3 LYS A 75 -5.456 42.754 0.340 1.00 51.03 H new ATOM 0 HD2 LYS A 75 -7.840 42.694 1.208 1.00 60.23 H new ATOM 0 HD3 LYS A 75 -7.248 41.865 2.634 1.00 60.23 H new ATOM 0 HE2 LYS A 75 -7.204 44.064 3.373 1.00 21.10 H new ATOM 0 HE3 LYS A 75 -5.560 43.888 2.791 1.00 21.10 H new ATOM 0 HZ1 LYS A 75 -6.557 45.931 1.997 1.00 40.44 H new ATOM 0 HZ2 LYS A 75 -6.225 44.902 0.689 1.00 40.44 H new ATOM 0 HZ3 LYS A 75 -7.818 45.072 1.253 1.00 40.44 H new ATOM 1257 N ASP A 76 -5.546 37.693 0.043 1.00 62.42 N ATOM 1258 CA ASP A 76 -5.517 36.467 -0.747 1.00 22.34 C ATOM 1259 C ASP A 76 -5.172 35.265 0.128 1.00 11.31 C ATOM 1260 O ASP A 76 -4.841 34.192 -0.376 1.00 44.35 O ATOM 1261 CB ASP A 76 -4.503 36.592 -1.885 1.00 72.21 C ATOM 1262 CG ASP A 76 -5.085 37.278 -3.106 1.00 32.45 C ATOM 1263 OD1 ASP A 76 -5.915 36.652 -3.798 1.00 11.23 O ATOM 1264 OD2 ASP A 76 -4.710 38.440 -3.369 1.00 32.50 O ATOM 0 H ASP A 76 -4.628 38.032 0.330 1.00 62.42 H new ATOM 0 HA ASP A 76 -6.510 36.313 -1.170 1.00 22.34 H new ATOM 0 HB2 ASP A 76 -3.636 37.153 -1.535 1.00 72.21 H new ATOM 0 HB3 ASP A 76 -4.149 35.599 -2.163 1.00 72.21 H new ATOM 1269 N ASP A 77 -5.252 35.453 1.441 1.00 43.43 N ATOM 1270 CA ASP A 77 -4.948 34.385 2.386 1.00 13.30 C ATOM 1271 C ASP A 77 -5.896 33.205 2.196 1.00 54.55 C ATOM 1272 O ASP A 77 -5.555 32.064 2.509 1.00 52.41 O ATOM 1273 CB ASP A 77 -5.042 34.904 3.822 1.00 42.12 C ATOM 1274 CG ASP A 77 -6.476 35.089 4.278 1.00 23.13 C ATOM 1275 OD1 ASP A 77 -7.201 35.887 3.648 1.00 31.03 O ATOM 1276 OD2 ASP A 77 -6.873 34.435 5.265 1.00 24.10 O ATOM 0 H ASP A 77 -5.525 36.335 1.875 1.00 43.43 H new ATOM 0 HA ASP A 77 -3.930 34.044 2.196 1.00 13.30 H new ATOM 0 HB2 ASP A 77 -4.538 34.206 4.491 1.00 42.12 H new ATOM 0 HB3 ASP A 77 -4.514 35.855 3.897 1.00 42.12 H new ATOM 1281 N HIS A 78 -7.089 33.488 1.681 1.00 41.22 N ATOM 1282 CA HIS A 78 -8.087 32.450 1.449 1.00 11.21 C ATOM 1283 C HIS A 78 -7.735 31.623 0.216 1.00 3.14 C ATOM 1284 O HIS A 78 -8.249 30.520 0.028 1.00 2.41 O ATOM 1285 CB HIS A 78 -9.473 33.074 1.280 1.00 43.22 C ATOM 1286 CG HIS A 78 -9.637 33.828 -0.004 1.00 13.33 C ATOM 1287 ND1 HIS A 78 -9.528 35.200 -0.090 1.00 14.22 N ATOM 1288 CD2 HIS A 78 -9.903 33.394 -1.258 1.00 24.11 C ATOM 1289 CE1 HIS A 78 -9.721 35.577 -1.341 1.00 54.21 C ATOM 1290 NE2 HIS A 78 -9.950 34.500 -2.070 1.00 61.14 N ATOM 0 H HIS A 78 -7.388 34.427 1.417 1.00 41.22 H new ATOM 0 HA HIS A 78 -8.097 31.790 2.317 1.00 11.21 H new ATOM 0 HB2 HIS A 78 -10.225 32.287 1.328 1.00 43.22 H new ATOM 0 HB3 HIS A 78 -9.663 33.748 2.115 1.00 43.22 H new ATOM 0 HD2 HIS A 78 -10.051 32.369 -1.563 1.00 24.11 H new ATOM 0 HE1 HIS A 78 -9.696 36.593 -1.706 1.00 54.21 H new ATOM 0 HE2 HIS A 78 -10.132 34.491 -3.074 1.00 61.14 H new ATOM 1298 N VAL A 79 -6.855 32.163 -0.621 1.00 51.33 N ATOM 1299 CA VAL A 79 -6.434 31.475 -1.836 1.00 2.43 C ATOM 1300 C VAL A 79 -5.878 30.092 -1.519 1.00 22.32 C ATOM 1301 O VAL A 79 -4.843 29.961 -0.864 1.00 52.45 O ATOM 1302 CB VAL A 79 -5.366 32.284 -2.597 1.00 31.41 C ATOM 1303 CG1 VAL A 79 -4.890 31.518 -3.822 1.00 42.42 C ATOM 1304 CG2 VAL A 79 -5.911 33.649 -2.989 1.00 71.42 C ATOM 0 H VAL A 79 -6.420 33.075 -0.480 1.00 51.33 H new ATOM 0 HA VAL A 79 -7.318 31.372 -2.465 1.00 2.43 H new ATOM 0 HB VAL A 79 -4.511 32.436 -1.938 1.00 31.41 H new ATOM 0 HG11 VAL A 79 -4.136 32.104 -4.347 1.00 42.42 H new ATOM 0 HG12 VAL A 79 -4.458 30.567 -3.511 1.00 42.42 H new ATOM 0 HG13 VAL A 79 -5.734 31.334 -4.486 1.00 42.42 H new ATOM 0 HG21 VAL A 79 -5.143 34.207 -3.526 1.00 71.42 H new ATOM 0 HG22 VAL A 79 -6.783 33.522 -3.631 1.00 71.42 H new ATOM 0 HG23 VAL A 79 -6.198 34.198 -2.092 1.00 71.42 H new ATOM 1314 N VAL A 80 -6.572 29.059 -1.988 1.00 4.52 N ATOM 1315 CA VAL A 80 -6.147 27.684 -1.756 1.00 42.11 C ATOM 1316 C VAL A 80 -5.211 27.205 -2.860 1.00 23.32 C ATOM 1317 O VAL A 80 -5.609 27.093 -4.020 1.00 24.22 O ATOM 1318 CB VAL A 80 -7.353 26.731 -1.671 1.00 75.44 C ATOM 1319 CG1 VAL A 80 -6.887 25.284 -1.600 1.00 15.54 C ATOM 1320 CG2 VAL A 80 -8.224 27.079 -0.474 1.00 12.03 C ATOM 0 H VAL A 80 -7.431 29.149 -2.531 1.00 4.52 H new ATOM 0 HA VAL A 80 -5.617 27.673 -0.804 1.00 42.11 H new ATOM 0 HB VAL A 80 -7.952 26.850 -2.574 1.00 75.44 H new ATOM 0 HG11 VAL A 80 -7.753 24.625 -1.540 1.00 15.54 H new ATOM 0 HG12 VAL A 80 -6.309 25.044 -2.492 1.00 15.54 H new ATOM 0 HG13 VAL A 80 -6.264 25.145 -0.716 1.00 15.54 H new ATOM 0 HG21 VAL A 80 -9.072 26.395 -0.430 1.00 12.03 H new ATOM 0 HG22 VAL A 80 -7.638 26.990 0.441 1.00 12.03 H new ATOM 0 HG23 VAL A 80 -8.588 28.102 -0.574 1.00 12.03 H new ATOM 1330 N ILE A 81 -3.966 26.923 -2.491 1.00 62.30 N ATOM 1331 CA ILE A 81 -2.973 26.454 -3.450 1.00 32.51 C ATOM 1332 C ILE A 81 -2.884 24.931 -3.448 1.00 51.25 C ATOM 1333 O ILE A 81 -2.389 24.327 -2.496 1.00 15.41 O ATOM 1334 CB ILE A 81 -1.580 27.038 -3.150 1.00 54.30 C ATOM 1335 CG1 ILE A 81 -1.628 28.567 -3.182 1.00 45.30 C ATOM 1336 CG2 ILE A 81 -0.559 26.513 -4.148 1.00 54.44 C ATOM 1337 CD1 ILE A 81 -1.581 29.202 -1.810 1.00 3.22 C ATOM 0 H ILE A 81 -3.621 27.011 -1.535 1.00 62.30 H new ATOM 0 HA ILE A 81 -3.297 26.796 -4.433 1.00 32.51 H new ATOM 0 HB ILE A 81 -1.277 26.723 -2.152 1.00 54.30 H new ATOM 0 HG12 ILE A 81 -0.790 28.936 -3.773 1.00 45.30 H new ATOM 0 HG13 ILE A 81 -2.540 28.883 -3.689 1.00 45.30 H new ATOM 0 HG21 ILE A 81 0.420 26.935 -3.923 1.00 54.44 H new ATOM 0 HG22 ILE A 81 -0.510 25.426 -4.081 1.00 54.44 H new ATOM 0 HG23 ILE A 81 -0.855 26.801 -5.157 1.00 54.44 H new ATOM 0 HD11 ILE A 81 -1.619 30.287 -1.910 1.00 3.22 H new ATOM 0 HD12 ILE A 81 -2.434 28.862 -1.222 1.00 3.22 H new ATOM 0 HD13 ILE A 81 -0.657 28.916 -1.308 1.00 3.22 H new ATOM 1349 N THR A 82 -3.365 24.315 -4.524 1.00 31.43 N ATOM 1350 CA THR A 82 -3.340 22.863 -4.648 1.00 25.24 C ATOM 1351 C THR A 82 -2.200 22.408 -5.552 1.00 42.11 C ATOM 1352 O THR A 82 -2.218 22.649 -6.760 1.00 0.21 O ATOM 1353 CB THR A 82 -4.670 22.323 -5.206 1.00 43.14 C ATOM 1354 OG1 THR A 82 -4.528 20.943 -5.562 1.00 42.30 O ATOM 1355 CG2 THR A 82 -5.110 23.123 -6.423 1.00 43.02 C ATOM 0 H THR A 82 -3.776 24.799 -5.322 1.00 31.43 H new ATOM 0 HA THR A 82 -3.187 22.463 -3.646 1.00 25.24 H new ATOM 0 HB THR A 82 -5.430 22.421 -4.431 1.00 43.14 H new ATOM 0 HG1 THR A 82 -5.378 20.607 -5.914 1.00 42.30 H new ATOM 0 HG21 THR A 82 -6.052 22.724 -6.800 1.00 43.02 H new ATOM 0 HG22 THR A 82 -5.245 24.168 -6.142 1.00 43.02 H new ATOM 0 HG23 THR A 82 -4.349 23.052 -7.200 1.00 43.02 H new ATOM 1363 N LEU A 83 -1.209 21.749 -4.961 1.00 72.25 N ATOM 1364 CA LEU A 83 -0.060 21.259 -5.715 1.00 30.01 C ATOM 1365 C LEU A 83 -0.508 20.516 -6.970 1.00 1.34 C ATOM 1366 O LEU A 83 -0.987 19.384 -6.896 1.00 64.31 O ATOM 1367 CB LEU A 83 0.793 20.338 -4.841 1.00 10.25 C ATOM 1368 CG LEU A 83 2.303 20.399 -5.075 1.00 73.13 C ATOM 1369 CD1 LEU A 83 2.846 21.771 -4.707 1.00 34.24 C ATOM 1370 CD2 LEU A 83 3.010 19.312 -4.280 1.00 23.25 C ATOM 0 H LEU A 83 -1.178 21.542 -3.963 1.00 72.25 H new ATOM 0 HA LEU A 83 0.537 22.119 -6.018 1.00 30.01 H new ATOM 0 HB2 LEU A 83 0.598 20.579 -3.796 1.00 10.25 H new ATOM 0 HB3 LEU A 83 0.462 19.311 -4.999 1.00 10.25 H new ATOM 0 HG LEU A 83 2.494 20.229 -6.134 1.00 73.13 H new ATOM 0 HD11 LEU A 83 3.922 21.795 -4.880 1.00 34.24 H new ATOM 0 HD12 LEU A 83 2.363 22.530 -5.321 1.00 34.24 H new ATOM 0 HD13 LEU A 83 2.643 21.972 -3.655 1.00 34.24 H new ATOM 0 HD21 LEU A 83 4.084 19.371 -4.459 1.00 23.25 H new ATOM 0 HD22 LEU A 83 2.811 19.451 -3.217 1.00 23.25 H new ATOM 0 HD23 LEU A 83 2.643 18.335 -4.593 1.00 23.25 H new ATOM 1382 N LEU A 84 -0.348 21.160 -8.121 1.00 23.05 N ATOM 1383 CA LEU A 84 -0.733 20.560 -9.393 1.00 34.30 C ATOM 1384 C LEU A 84 0.455 19.864 -10.049 1.00 51.24 C ATOM 1385 O LEU A 84 1.144 20.449 -10.884 1.00 63.01 O ATOM 1386 CB LEU A 84 -1.297 21.627 -10.333 1.00 31.02 C ATOM 1387 CG LEU A 84 -2.422 22.494 -9.766 1.00 42.10 C ATOM 1388 CD1 LEU A 84 -3.006 23.386 -10.850 1.00 73.03 C ATOM 1389 CD2 LEU A 84 -3.506 21.624 -9.147 1.00 22.21 C ATOM 0 H LEU A 84 0.046 22.098 -8.199 1.00 23.05 H new ATOM 0 HA LEU A 84 -1.503 19.814 -9.196 1.00 34.30 H new ATOM 0 HB2 LEU A 84 -0.481 22.281 -10.639 1.00 31.02 H new ATOM 0 HB3 LEU A 84 -1.664 21.133 -11.232 1.00 31.02 H new ATOM 0 HG LEU A 84 -2.006 23.131 -8.985 1.00 42.10 H new ATOM 0 HD11 LEU A 84 -3.805 23.996 -10.428 1.00 73.03 H new ATOM 0 HD12 LEU A 84 -2.225 24.035 -11.247 1.00 73.03 H new ATOM 0 HD13 LEU A 84 -3.407 22.768 -11.653 1.00 73.03 H new ATOM 0 HD21 LEU A 84 -4.298 22.258 -8.749 1.00 22.21 H new ATOM 0 HD22 LEU A 84 -3.919 20.962 -9.908 1.00 22.21 H new ATOM 0 HD23 LEU A 84 -3.078 21.028 -8.341 1.00 22.21 H new ATOM 1401 N GLU A 85 0.686 18.612 -9.667 1.00 43.12 N ATOM 1402 CA GLU A 85 1.791 17.837 -10.220 1.00 54.04 C ATOM 1403 C GLU A 85 1.283 16.552 -10.868 1.00 53.35 C ATOM 1404 O GLU A 85 1.516 16.309 -12.052 1.00 34.31 O ATOM 1405 CB GLU A 85 2.806 17.502 -9.126 1.00 43.21 C ATOM 1406 CG GLU A 85 3.832 18.599 -8.891 1.00 75.30 C ATOM 1407 CD GLU A 85 5.258 18.095 -8.994 1.00 2.41 C ATOM 1408 OE1 GLU A 85 5.764 17.975 -10.130 1.00 12.34 O ATOM 1409 OE2 GLU A 85 5.869 17.821 -7.940 1.00 12.43 O ATOM 0 H GLU A 85 0.124 18.113 -8.978 1.00 43.12 H new ATOM 0 HA GLU A 85 2.278 18.442 -10.985 1.00 54.04 H new ATOM 0 HB2 GLU A 85 2.273 17.309 -8.195 1.00 43.21 H new ATOM 0 HB3 GLU A 85 3.325 16.582 -9.393 1.00 43.21 H new ATOM 0 HG2 GLU A 85 3.679 19.396 -9.618 1.00 75.30 H new ATOM 0 HG3 GLU A 85 3.674 19.033 -7.904 1.00 75.30 H new TER 1416 GLU A 85