USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1150 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 135 ASN : amide:sc= 0.782 K(o=0.8,f=-0.6) USER MOD Set 1.2: A 150 HIS : no HE2:sc= 0.0229 K(o=0.8,f=-0.088) USER MOD Set 2.1: A 31 HIS : no HE2:sc= -2.3 K(o=-8,f=-5.8) USER MOD Set 2.2: A 33 GLN : amide:sc= -5.65! C(o=-8!,f=-4.1!) USER MOD Single : A 1 MET CE :methyl 138:sc= -0.126 (180deg=-0.578) USER MOD Single : A 1 MET N :NH3+ -148:sc= 0 (180deg=-0.352) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 65:sc= 0.597 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.635 X(o=-0.63,f=-0.59) USER MOD Single : A 35 SER OG : rot 118:sc= 0.332 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.097 USER MOD Single : A 45 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-0.76) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.952 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.185 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 19:sc= 0.194 USER MOD Single : A 78 THR OG1 : rot 86:sc= 0.602 USER MOD Single : A 79 MET CE :methyl 170:sc= -1.18 (180deg=-1.3) USER MOD Single : A 87 THR OG1 : rot 122:sc= 0.252 USER MOD Single : A 88 ASN : amide:sc= -0.878 K(o=-0.88,f=-6.5!) USER MOD Single : A 89 HIS : no HE2:sc= -2.1 X(o=-2.1,f=-2.4) USER MOD Single : A 102 HIS : no HE2:sc= -0.181 K(o=-0.18,f=-2.1!) USER MOD Single : A 103 CYS SG : rot 11:sc= -4.87! USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 CYS SG : rot -63:sc= -2.71! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 147 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 148 HIS : no HE2:sc= -0.551 K(o=-0.55,f=-1.2) USER MOD Single : A 149 HIS : no HD1:sc= 0 X(o=0,f=-0.00046) USER MOD Single : A 151 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.607 17.403 10.762 1.00 75.43 N ATOM 2 CA MET A 1 -4.086 16.066 10.305 1.00 1.23 C ATOM 3 C MET A 1 -3.409 15.674 8.974 1.00 21.22 C ATOM 4 O MET A 1 -3.395 16.476 8.036 1.00 74.32 O ATOM 5 CB MET A 1 -5.629 16.060 10.152 1.00 33.43 C ATOM 6 CG MET A 1 -6.406 16.256 11.465 1.00 10.41 C ATOM 7 SD MET A 1 -8.201 16.172 11.240 1.00 32.00 S ATOM 8 CE MET A 1 -8.424 14.496 10.628 1.00 72.02 C ATOM 0 H1 MET A 1 -3.599 17.432 11.802 1.00 75.43 H new ATOM 0 H2 MET A 1 -2.645 17.568 10.404 1.00 75.43 H new ATOM 0 H3 MET A 1 -4.243 18.142 10.400 1.00 75.43 H new ATOM 0 HA MET A 1 -3.814 15.329 11.061 1.00 1.23 H new ATOM 0 HB2 MET A 1 -5.914 16.848 9.456 1.00 33.43 H new ATOM 0 HB3 MET A 1 -5.932 15.114 9.704 1.00 33.43 H new ATOM 0 HG2 MET A 1 -6.098 15.494 12.181 1.00 10.41 H new ATOM 0 HG3 MET A 1 -6.144 17.222 11.896 1.00 10.41 H new ATOM 0 HE1 MET A 1 -9.293 14.046 11.108 1.00 72.02 H new ATOM 0 HE2 MET A 1 -8.577 14.520 9.549 1.00 72.02 H new ATOM 0 HE3 MET A 1 -7.537 13.905 10.856 1.00 72.02 H new ATOM 20 N ALA A 2 -2.854 14.440 8.920 1.00 24.23 N ATOM 21 CA ALA A 2 -2.123 13.914 7.739 1.00 11.42 C ATOM 22 C ALA A 2 -1.854 12.382 7.870 1.00 13.51 C ATOM 23 O ALA A 2 -0.867 11.859 7.334 1.00 43.44 O ATOM 24 CB ALA A 2 -0.807 14.703 7.553 1.00 13.22 C ATOM 0 H ALA A 2 -2.900 13.779 9.695 1.00 24.23 H new ATOM 0 HA ALA A 2 -2.744 14.050 6.853 1.00 11.42 H new ATOM 0 HB1 ALA A 2 -0.271 14.317 6.686 1.00 13.22 H new ATOM 0 HB2 ALA A 2 -1.034 15.758 7.399 1.00 13.22 H new ATOM 0 HB3 ALA A 2 -0.187 14.591 8.443 1.00 13.22 H new ATOM 30 N THR A 3 -2.777 11.662 8.552 1.00 42.05 N ATOM 31 CA THR A 3 -2.692 10.185 8.752 1.00 4.23 C ATOM 32 C THR A 3 -3.897 9.489 8.068 1.00 71.12 C ATOM 33 O THR A 3 -5.042 9.640 8.500 1.00 44.01 O ATOM 34 CB THR A 3 -2.636 9.794 10.276 1.00 64.02 C ATOM 35 OG1 THR A 3 -1.509 10.436 10.892 1.00 14.34 O ATOM 36 CG2 THR A 3 -2.521 8.262 10.489 1.00 25.33 C ATOM 0 H THR A 3 -3.602 12.083 8.980 1.00 42.05 H new ATOM 0 HA THR A 3 -1.763 9.845 8.295 1.00 4.23 H new ATOM 0 HB THR A 3 -3.569 10.125 10.731 1.00 64.02 H new ATOM 0 HG1 THR A 3 -1.474 10.195 11.841 1.00 14.34 H new ATOM 0 HG21 THR A 3 -2.486 8.045 11.557 1.00 25.33 H new ATOM 0 HG22 THR A 3 -3.385 7.767 10.046 1.00 25.33 H new ATOM 0 HG23 THR A 3 -1.611 7.896 10.014 1.00 25.33 H new ATOM 44 N LEU A 4 -3.609 8.724 7.001 1.00 14.41 N ATOM 45 CA LEU A 4 -4.615 8.080 6.121 1.00 24.33 C ATOM 46 C LEU A 4 -4.788 6.600 6.509 1.00 43.02 C ATOM 47 O LEU A 4 -3.806 5.870 6.562 1.00 42.45 O ATOM 48 CB LEU A 4 -4.164 8.168 4.619 1.00 65.31 C ATOM 49 CG LEU A 4 -4.283 9.562 3.906 1.00 32.45 C ATOM 50 CD1 LEU A 4 -3.507 10.675 4.637 1.00 55.03 C ATOM 51 CD2 LEU A 4 -3.827 9.461 2.432 1.00 72.53 C ATOM 0 H LEU A 4 -2.650 8.528 6.715 1.00 14.41 H new ATOM 0 HA LEU A 4 -5.563 8.604 6.245 1.00 24.33 H new ATOM 0 HB2 LEU A 4 -3.123 7.849 4.561 1.00 65.31 H new ATOM 0 HB3 LEU A 4 -4.751 7.448 4.049 1.00 65.31 H new ATOM 0 HG LEU A 4 -5.336 9.840 3.936 1.00 32.45 H new ATOM 0 HD11 LEU A 4 -3.626 11.615 4.099 1.00 55.03 H new ATOM 0 HD12 LEU A 4 -3.896 10.785 5.649 1.00 55.03 H new ATOM 0 HD13 LEU A 4 -2.450 10.413 4.681 1.00 55.03 H new ATOM 0 HD21 LEU A 4 -3.917 10.437 1.956 1.00 72.53 H new ATOM 0 HD22 LEU A 4 -2.788 9.133 2.394 1.00 72.53 H new ATOM 0 HD23 LEU A 4 -4.454 8.741 1.906 1.00 72.53 H new ATOM 63 N ARG A 5 -6.033 6.160 6.773 1.00 73.03 N ATOM 64 CA ARG A 5 -6.347 4.725 7.005 1.00 42.41 C ATOM 65 C ARG A 5 -7.331 4.222 5.927 1.00 41.31 C ATOM 66 O ARG A 5 -8.441 4.747 5.799 1.00 54.22 O ATOM 67 CB ARG A 5 -6.953 4.498 8.418 1.00 51.12 C ATOM 68 CG ARG A 5 -7.184 3.004 8.770 1.00 63.33 C ATOM 69 CD ARG A 5 -7.981 2.800 10.072 1.00 4.53 C ATOM 70 NE ARG A 5 -9.365 3.312 9.958 1.00 2.45 N ATOM 71 CZ ARG A 5 -10.440 2.758 10.482 1.00 62.31 C ATOM 72 NH1 ARG A 5 -10.370 1.662 11.175 1.00 44.21 N ATOM 73 NH2 ARG A 5 -11.594 3.304 10.283 1.00 51.23 N ATOM 0 H ARG A 5 -6.845 6.775 6.832 1.00 73.03 H new ATOM 0 HA ARG A 5 -5.416 4.162 6.942 1.00 42.41 H new ATOM 0 HB2 ARG A 5 -6.289 4.938 9.162 1.00 51.12 H new ATOM 0 HB3 ARG A 5 -7.903 5.028 8.485 1.00 51.12 H new ATOM 0 HG2 ARG A 5 -7.714 2.522 7.949 1.00 63.33 H new ATOM 0 HG3 ARG A 5 -6.219 2.506 8.862 1.00 63.33 H new ATOM 0 HD2 ARG A 5 -8.006 1.739 10.320 1.00 4.53 H new ATOM 0 HD3 ARG A 5 -7.473 3.307 10.892 1.00 4.53 H new ATOM 0 HE ARG A 5 -9.499 4.172 9.426 1.00 2.45 H new ATOM 0 HH11 ARG A 5 -9.468 1.210 11.324 1.00 44.21 H new ATOM 0 HH12 ARG A 5 -11.217 1.253 11.570 1.00 44.21 H new ATOM 0 HH21 ARG A 5 -11.666 4.155 9.725 1.00 51.23 H new ATOM 0 HH22 ARG A 5 -12.433 2.884 10.684 1.00 51.23 H new ATOM 87 N ARG A 6 -6.912 3.209 5.145 1.00 40.03 N ATOM 88 CA ARG A 6 -7.739 2.603 4.075 1.00 64.23 C ATOM 89 C ARG A 6 -7.794 1.072 4.258 1.00 31.15 C ATOM 90 O ARG A 6 -6.790 0.456 4.601 1.00 53.02 O ATOM 91 CB ARG A 6 -7.150 2.979 2.678 1.00 61.31 C ATOM 92 CG ARG A 6 -7.154 4.498 2.370 1.00 73.01 C ATOM 93 CD ARG A 6 -8.580 5.070 2.285 1.00 24.34 C ATOM 94 NE ARG A 6 -8.593 6.537 2.155 1.00 13.54 N ATOM 95 CZ ARG A 6 -9.520 7.240 1.539 1.00 41.31 C ATOM 96 NH1 ARG A 6 -10.552 6.674 0.993 1.00 53.40 N ATOM 97 NH2 ARG A 6 -9.405 8.522 1.475 1.00 4.25 N ATOM 0 H ARG A 6 -5.989 2.784 5.235 1.00 40.03 H new ATOM 0 HA ARG A 6 -8.756 2.990 4.136 1.00 64.23 H new ATOM 0 HB2 ARG A 6 -6.126 2.611 2.618 1.00 61.31 H new ATOM 0 HB3 ARG A 6 -7.720 2.462 1.906 1.00 61.31 H new ATOM 0 HG2 ARG A 6 -6.598 5.026 3.145 1.00 73.01 H new ATOM 0 HG3 ARG A 6 -6.636 4.677 1.428 1.00 73.01 H new ATOM 0 HD2 ARG A 6 -9.095 4.628 1.432 1.00 24.34 H new ATOM 0 HD3 ARG A 6 -9.137 4.783 3.177 1.00 24.34 H new ATOM 0 HE ARG A 6 -7.820 7.051 2.577 1.00 13.54 H new ATOM 0 HH11 ARG A 6 -10.660 5.661 1.035 1.00 53.40 H new ATOM 0 HH12 ARG A 6 -11.256 7.242 0.522 1.00 53.40 H new ATOM 0 HH21 ARG A 6 -8.601 8.984 1.900 1.00 4.25 H new ATOM 0 HH22 ARG A 6 -10.118 9.075 1.000 1.00 4.25 H new ATOM 111 N SER A 7 -8.977 0.470 4.043 1.00 61.24 N ATOM 112 CA SER A 7 -9.189 -0.997 4.195 1.00 52.24 C ATOM 113 C SER A 7 -10.198 -1.532 3.152 1.00 65.42 C ATOM 114 O SER A 7 -11.038 -0.783 2.641 1.00 35.21 O ATOM 115 CB SER A 7 -9.668 -1.327 5.635 1.00 11.31 C ATOM 116 OG SER A 7 -10.858 -0.626 5.972 1.00 20.12 O ATOM 0 H SER A 7 -9.816 0.977 3.760 1.00 61.24 H new ATOM 0 HA SER A 7 -8.235 -1.494 4.019 1.00 52.24 H new ATOM 0 HB2 SER A 7 -9.841 -2.400 5.723 1.00 11.31 H new ATOM 0 HB3 SER A 7 -8.883 -1.072 6.346 1.00 11.31 H new ATOM 0 HG SER A 7 -11.129 -0.861 6.884 1.00 20.12 H new ATOM 122 N VAL A 8 -10.096 -2.837 2.839 1.00 72.12 N ATOM 123 CA VAL A 8 -10.977 -3.512 1.852 1.00 61.13 C ATOM 124 C VAL A 8 -11.157 -5.003 2.213 1.00 35.01 C ATOM 125 O VAL A 8 -10.241 -5.614 2.747 1.00 2.10 O ATOM 126 CB VAL A 8 -10.372 -3.394 0.400 1.00 72.22 C ATOM 127 CG1 VAL A 8 -9.022 -4.162 0.293 1.00 34.12 C ATOM 128 CG2 VAL A 8 -11.389 -3.849 -0.685 1.00 33.31 C ATOM 0 H VAL A 8 -9.404 -3.457 3.259 1.00 72.12 H new ATOM 0 HA VAL A 8 -11.949 -3.019 1.877 1.00 61.13 H new ATOM 0 HB VAL A 8 -10.164 -2.341 0.211 1.00 72.22 H new ATOM 0 HG11 VAL A 8 -8.627 -4.064 -0.718 1.00 34.12 H new ATOM 0 HG12 VAL A 8 -8.308 -3.744 1.003 1.00 34.12 H new ATOM 0 HG13 VAL A 8 -9.184 -5.216 0.519 1.00 34.12 H new ATOM 0 HG21 VAL A 8 -10.936 -3.753 -1.672 1.00 33.31 H new ATOM 0 HG22 VAL A 8 -11.665 -4.889 -0.512 1.00 33.31 H new ATOM 0 HG23 VAL A 8 -12.280 -3.224 -0.633 1.00 33.31 H new ATOM 138 N GLU A 9 -12.332 -5.585 1.916 1.00 54.44 N ATOM 139 CA GLU A 9 -12.572 -7.036 2.090 1.00 4.45 C ATOM 140 C GLU A 9 -12.363 -7.780 0.747 1.00 1.22 C ATOM 141 O GLU A 9 -13.159 -7.651 -0.190 1.00 51.35 O ATOM 142 CB GLU A 9 -13.988 -7.278 2.671 1.00 52.43 C ATOM 143 CG GLU A 9 -14.138 -6.780 4.124 1.00 32.32 C ATOM 144 CD GLU A 9 -15.572 -6.874 4.654 1.00 62.14 C ATOM 145 OE1 GLU A 9 -15.962 -7.947 5.164 1.00 54.53 O ATOM 146 OE2 GLU A 9 -16.325 -5.878 4.549 1.00 71.21 O ATOM 0 H GLU A 9 -13.136 -5.074 1.552 1.00 54.44 H new ATOM 0 HA GLU A 9 -11.851 -7.437 2.802 1.00 4.45 H new ATOM 0 HB2 GLU A 9 -14.723 -6.775 2.043 1.00 52.43 H new ATOM 0 HB3 GLU A 9 -14.213 -8.344 2.633 1.00 52.43 H new ATOM 0 HG2 GLU A 9 -13.481 -7.363 4.770 1.00 32.32 H new ATOM 0 HG3 GLU A 9 -13.804 -5.744 4.181 1.00 32.32 H new ATOM 153 N VAL A 10 -11.267 -8.546 0.696 1.00 33.12 N ATOM 154 CA VAL A 10 -10.799 -9.293 -0.491 1.00 61.32 C ATOM 155 C VAL A 10 -11.302 -10.752 -0.455 1.00 34.40 C ATOM 156 O VAL A 10 -11.285 -11.388 0.598 1.00 32.44 O ATOM 157 CB VAL A 10 -9.227 -9.260 -0.522 1.00 71.01 C ATOM 158 CG1 VAL A 10 -8.645 -10.153 -1.641 1.00 30.01 C ATOM 159 CG2 VAL A 10 -8.734 -7.798 -0.652 1.00 31.24 C ATOM 0 H VAL A 10 -10.657 -8.671 1.504 1.00 33.12 H new ATOM 0 HA VAL A 10 -11.198 -8.825 -1.391 1.00 61.32 H new ATOM 0 HB VAL A 10 -8.863 -9.672 0.419 1.00 71.01 H new ATOM 0 HG11 VAL A 10 -7.557 -10.097 -1.622 1.00 30.01 H new ATOM 0 HG12 VAL A 10 -8.958 -11.185 -1.483 1.00 30.01 H new ATOM 0 HG13 VAL A 10 -9.009 -9.808 -2.609 1.00 30.01 H new ATOM 0 HG21 VAL A 10 -7.644 -7.782 -0.673 1.00 31.24 H new ATOM 0 HG22 VAL A 10 -9.121 -7.364 -1.574 1.00 31.24 H new ATOM 0 HG23 VAL A 10 -9.089 -7.217 0.199 1.00 31.24 H new ATOM 169 N ALA A 11 -11.753 -11.269 -1.610 1.00 32.22 N ATOM 170 CA ALA A 11 -12.193 -12.669 -1.758 1.00 14.43 C ATOM 171 C ALA A 11 -10.996 -13.651 -1.913 1.00 53.40 C ATOM 172 O ALA A 11 -10.796 -14.256 -2.976 1.00 21.33 O ATOM 173 CB ALA A 11 -13.154 -12.756 -2.949 1.00 42.05 C ATOM 0 H ALA A 11 -11.823 -10.727 -2.471 1.00 32.22 H new ATOM 0 HA ALA A 11 -12.709 -12.975 -0.848 1.00 14.43 H new ATOM 0 HB1 ALA A 11 -13.489 -13.786 -3.072 1.00 42.05 H new ATOM 0 HB2 ALA A 11 -14.016 -12.113 -2.769 1.00 42.05 H new ATOM 0 HB3 ALA A 11 -12.642 -12.431 -3.854 1.00 42.05 H new ATOM 179 N ALA A 12 -10.209 -13.802 -0.830 1.00 0.33 N ATOM 180 CA ALA A 12 -9.046 -14.713 -0.789 1.00 64.24 C ATOM 181 C ALA A 12 -8.597 -14.991 0.663 1.00 70.23 C ATOM 182 O ALA A 12 -8.783 -14.138 1.545 1.00 21.14 O ATOM 183 CB ALA A 12 -7.875 -14.126 -1.589 1.00 43.32 C ATOM 0 H ALA A 12 -10.361 -13.296 0.042 1.00 0.33 H new ATOM 0 HA ALA A 12 -9.353 -15.657 -1.239 1.00 64.24 H new ATOM 0 HB1 ALA A 12 -7.027 -14.810 -1.548 1.00 43.32 H new ATOM 0 HB2 ALA A 12 -8.178 -13.985 -2.627 1.00 43.32 H new ATOM 0 HB3 ALA A 12 -7.587 -13.166 -1.161 1.00 43.32 H new ATOM 189 N PRO A 13 -8.010 -16.203 0.933 1.00 45.32 N ATOM 190 CA PRO A 13 -7.319 -16.492 2.215 1.00 2.43 C ATOM 191 C PRO A 13 -6.041 -15.616 2.379 1.00 23.22 C ATOM 192 O PRO A 13 -5.361 -15.325 1.388 1.00 62.41 O ATOM 193 CB PRO A 13 -6.973 -18.008 2.116 1.00 70.14 C ATOM 194 CG PRO A 13 -7.797 -18.536 0.973 1.00 63.23 C ATOM 195 CD PRO A 13 -7.980 -17.380 0.028 1.00 43.33 C ATOM 0 HA PRO A 13 -7.931 -16.263 3.087 1.00 2.43 H new ATOM 0 HB2 PRO A 13 -5.909 -18.156 1.934 1.00 70.14 H new ATOM 0 HB3 PRO A 13 -7.212 -18.526 3.044 1.00 70.14 H new ATOM 0 HG2 PRO A 13 -7.293 -19.368 0.480 1.00 63.23 H new ATOM 0 HG3 PRO A 13 -8.759 -18.909 1.325 1.00 63.23 H new ATOM 0 HD2 PRO A 13 -7.163 -17.314 -0.691 1.00 43.33 H new ATOM 0 HD3 PRO A 13 -8.903 -17.471 -0.545 1.00 43.33 H new ATOM 203 N ALA A 14 -5.749 -15.194 3.630 1.00 35.14 N ATOM 204 CA ALA A 14 -4.667 -14.221 3.967 1.00 33.12 C ATOM 205 C ALA A 14 -3.289 -14.513 3.317 1.00 42.15 C ATOM 206 O ALA A 14 -2.602 -13.583 2.879 1.00 1.45 O ATOM 207 CB ALA A 14 -4.537 -14.108 5.501 1.00 72.51 C ATOM 0 H ALA A 14 -6.261 -15.520 4.450 1.00 35.14 H new ATOM 0 HA ALA A 14 -4.975 -13.269 3.534 1.00 33.12 H new ATOM 0 HB1 ALA A 14 -3.748 -13.398 5.748 1.00 72.51 H new ATOM 0 HB2 ALA A 14 -5.481 -13.762 5.922 1.00 72.51 H new ATOM 0 HB3 ALA A 14 -4.290 -15.084 5.918 1.00 72.51 H new ATOM 213 N ALA A 15 -2.891 -15.796 3.283 1.00 32.41 N ATOM 214 CA ALA A 15 -1.618 -16.231 2.653 1.00 11.43 C ATOM 215 C ALA A 15 -1.586 -15.927 1.134 1.00 73.22 C ATOM 216 O ALA A 15 -0.570 -15.453 0.610 1.00 42.42 O ATOM 217 CB ALA A 15 -1.387 -17.727 2.907 1.00 20.35 C ATOM 0 H ALA A 15 -3.433 -16.561 3.686 1.00 32.41 H new ATOM 0 HA ALA A 15 -0.811 -15.660 3.113 1.00 11.43 H new ATOM 0 HB1 ALA A 15 -0.451 -18.035 2.441 1.00 20.35 H new ATOM 0 HB2 ALA A 15 -1.335 -17.910 3.980 1.00 20.35 H new ATOM 0 HB3 ALA A 15 -2.210 -18.300 2.481 1.00 20.35 H new ATOM 223 N ASP A 16 -2.697 -16.242 0.437 1.00 2.20 N ATOM 224 CA ASP A 16 -2.870 -15.968 -1.013 1.00 64.34 C ATOM 225 C ASP A 16 -2.734 -14.465 -1.352 1.00 53.24 C ATOM 226 O ASP A 16 -2.103 -14.100 -2.355 1.00 54.04 O ATOM 227 CB ASP A 16 -4.248 -16.499 -1.484 1.00 40.30 C ATOM 228 CG ASP A 16 -4.385 -18.023 -1.324 1.00 23.54 C ATOM 229 OD1 ASP A 16 -4.426 -18.511 -0.171 1.00 1.15 O ATOM 230 OD2 ASP A 16 -4.435 -18.745 -2.345 1.00 53.14 O ATOM 0 H ASP A 16 -3.506 -16.696 0.862 1.00 2.20 H new ATOM 0 HA ASP A 16 -2.071 -16.487 -1.542 1.00 64.34 H new ATOM 0 HB2 ASP A 16 -5.036 -16.006 -0.915 1.00 40.30 H new ATOM 0 HB3 ASP A 16 -4.397 -16.233 -2.531 1.00 40.30 H new ATOM 235 N VAL A 17 -3.328 -13.599 -0.506 1.00 60.10 N ATOM 236 CA VAL A 17 -3.233 -12.126 -0.676 1.00 34.24 C ATOM 237 C VAL A 17 -1.800 -11.629 -0.350 1.00 45.21 C ATOM 238 O VAL A 17 -1.294 -10.699 -0.975 1.00 24.22 O ATOM 239 CB VAL A 17 -4.252 -11.345 0.233 1.00 64.12 C ATOM 240 CG1 VAL A 17 -4.289 -9.843 -0.153 1.00 65.13 C ATOM 241 CG2 VAL A 17 -5.666 -11.968 0.188 1.00 34.15 C ATOM 0 H VAL A 17 -3.879 -13.889 0.302 1.00 60.10 H new ATOM 0 HA VAL A 17 -3.478 -11.924 -1.719 1.00 34.24 H new ATOM 0 HB VAL A 17 -3.902 -11.428 1.262 1.00 64.12 H new ATOM 0 HG11 VAL A 17 -5.000 -9.320 0.487 1.00 65.13 H new ATOM 0 HG12 VAL A 17 -3.297 -9.410 -0.024 1.00 65.13 H new ATOM 0 HG13 VAL A 17 -4.596 -9.742 -1.194 1.00 65.13 H new ATOM 0 HG21 VAL A 17 -6.336 -11.396 0.830 1.00 34.15 H new ATOM 0 HG22 VAL A 17 -6.040 -11.948 -0.836 1.00 34.15 H new ATOM 0 HG23 VAL A 17 -5.620 -12.999 0.538 1.00 34.15 H new ATOM 251 N TRP A 18 -1.171 -12.266 0.656 1.00 45.43 N ATOM 252 CA TRP A 18 0.204 -11.933 1.094 1.00 43.15 C ATOM 253 C TRP A 18 1.255 -12.314 0.018 1.00 14.40 C ATOM 254 O TRP A 18 2.332 -11.722 -0.048 1.00 11.32 O ATOM 255 CB TRP A 18 0.519 -12.608 2.456 1.00 13.01 C ATOM 256 CG TRP A 18 1.888 -12.259 3.012 1.00 74.12 C ATOM 257 CD1 TRP A 18 2.913 -13.120 3.292 1.00 44.40 C ATOM 258 CD2 TRP A 18 2.383 -10.938 3.322 1.00 22.00 C ATOM 259 NE1 TRP A 18 3.995 -12.426 3.761 1.00 10.42 N ATOM 260 CE2 TRP A 18 3.699 -11.090 3.787 1.00 63.24 C ATOM 261 CE3 TRP A 18 1.839 -9.648 3.250 1.00 41.32 C ATOM 262 CZ2 TRP A 18 4.483 -10.008 4.177 1.00 54.24 C ATOM 263 CZ3 TRP A 18 2.617 -8.569 3.636 1.00 33.23 C ATOM 264 CH2 TRP A 18 3.929 -8.758 4.095 1.00 1.24 C ATOM 0 H TRP A 18 -1.598 -13.024 1.189 1.00 45.43 H new ATOM 0 HA TRP A 18 0.261 -10.853 1.227 1.00 43.15 H new ATOM 0 HB2 TRP A 18 -0.242 -12.316 3.180 1.00 13.01 H new ATOM 0 HB3 TRP A 18 0.450 -13.690 2.339 1.00 13.01 H new ATOM 0 HD1 TRP A 18 2.874 -14.191 3.162 1.00 44.40 H new ATOM 0 HE1 TRP A 18 4.883 -12.839 4.046 1.00 10.42 H new ATOM 0 HE3 TRP A 18 0.829 -9.498 2.899 1.00 41.32 H new ATOM 0 HZ2 TRP A 18 5.493 -10.149 4.532 1.00 54.24 H new ATOM 0 HZ3 TRP A 18 2.209 -7.571 3.583 1.00 33.23 H new ATOM 0 HH2 TRP A 18 4.515 -7.900 4.390 1.00 1.24 H new ATOM 275 N THR A 19 0.939 -13.329 -0.806 1.00 11.11 N ATOM 276 CA THR A 19 1.751 -13.682 -1.998 1.00 53.34 C ATOM 277 C THR A 19 1.781 -12.506 -3.017 1.00 21.21 C ATOM 278 O THR A 19 2.776 -12.288 -3.715 1.00 51.54 O ATOM 279 CB THR A 19 1.188 -14.973 -2.693 1.00 14.23 C ATOM 280 OG1 THR A 19 1.037 -16.033 -1.731 1.00 2.21 O ATOM 281 CG2 THR A 19 2.098 -15.475 -3.829 1.00 10.11 C ATOM 0 H THR A 19 0.123 -13.926 -0.672 1.00 11.11 H new ATOM 0 HA THR A 19 2.768 -13.879 -1.660 1.00 53.34 H new ATOM 0 HB THR A 19 0.223 -14.698 -3.119 1.00 14.23 H new ATOM 0 HG1 THR A 19 0.356 -15.782 -1.072 1.00 2.21 H new ATOM 0 HG21 THR A 19 1.663 -16.369 -4.276 1.00 10.11 H new ATOM 0 HG22 THR A 19 2.193 -14.699 -4.589 1.00 10.11 H new ATOM 0 HG23 THR A 19 3.083 -15.713 -3.428 1.00 10.11 H new ATOM 289 N LEU A 20 0.677 -11.743 -3.046 1.00 45.14 N ATOM 290 CA LEU A 20 0.473 -10.603 -3.961 1.00 10.32 C ATOM 291 C LEU A 20 1.130 -9.291 -3.430 1.00 52.14 C ATOM 292 O LEU A 20 1.983 -8.700 -4.111 1.00 4.21 O ATOM 293 CB LEU A 20 -1.052 -10.434 -4.182 1.00 75.01 C ATOM 294 CG LEU A 20 -1.524 -9.243 -5.068 1.00 71.30 C ATOM 295 CD1 LEU A 20 -0.897 -9.280 -6.476 1.00 63.32 C ATOM 296 CD2 LEU A 20 -3.061 -9.218 -5.147 1.00 3.43 C ATOM 0 H LEU A 20 -0.115 -11.902 -2.423 1.00 45.14 H new ATOM 0 HA LEU A 20 0.966 -10.809 -4.911 1.00 10.32 H new ATOM 0 HB2 LEU A 20 -1.431 -11.354 -4.626 1.00 75.01 H new ATOM 0 HB3 LEU A 20 -1.524 -10.334 -3.205 1.00 75.01 H new ATOM 0 HG LEU A 20 -1.180 -8.323 -4.596 1.00 71.30 H new ATOM 0 HD11 LEU A 20 -1.256 -8.430 -7.057 1.00 63.32 H new ATOM 0 HD12 LEU A 20 0.189 -9.230 -6.392 1.00 63.32 H new ATOM 0 HD13 LEU A 20 -1.180 -10.206 -6.976 1.00 63.32 H new ATOM 0 HD21 LEU A 20 -3.380 -8.381 -5.769 1.00 3.43 H new ATOM 0 HD22 LEU A 20 -3.418 -10.151 -5.583 1.00 3.43 H new ATOM 0 HD23 LEU A 20 -3.475 -9.104 -4.145 1.00 3.43 H new ATOM 308 N VAL A 21 0.727 -8.846 -2.222 1.00 24.22 N ATOM 309 CA VAL A 21 1.216 -7.567 -1.617 1.00 33.23 C ATOM 310 C VAL A 21 2.584 -7.718 -0.898 1.00 4.32 C ATOM 311 O VAL A 21 3.284 -6.726 -0.708 1.00 32.12 O ATOM 312 CB VAL A 21 0.167 -6.948 -0.612 1.00 12.54 C ATOM 313 CG1 VAL A 21 -1.125 -6.519 -1.345 1.00 10.21 C ATOM 314 CG2 VAL A 21 -0.142 -7.919 0.559 1.00 62.42 C ATOM 0 H VAL A 21 0.061 -9.349 -1.635 1.00 24.22 H new ATOM 0 HA VAL A 21 1.349 -6.889 -2.460 1.00 33.23 H new ATOM 0 HB VAL A 21 0.615 -6.053 -0.181 1.00 12.54 H new ATOM 0 HG11 VAL A 21 -1.828 -6.097 -0.627 1.00 10.21 H new ATOM 0 HG12 VAL A 21 -0.884 -5.770 -2.100 1.00 10.21 H new ATOM 0 HG13 VAL A 21 -1.576 -7.387 -1.826 1.00 10.21 H new ATOM 0 HG21 VAL A 21 -0.867 -7.460 1.231 1.00 62.42 H new ATOM 0 HG22 VAL A 21 -0.552 -8.848 0.163 1.00 62.42 H new ATOM 0 HG23 VAL A 21 0.776 -8.132 1.107 1.00 62.42 H new ATOM 324 N GLY A 22 2.962 -8.960 -0.529 1.00 71.14 N ATOM 325 CA GLY A 22 4.196 -9.227 0.254 1.00 33.41 C ATOM 326 C GLY A 22 5.505 -9.187 -0.548 1.00 60.02 C ATOM 327 O GLY A 22 6.553 -9.639 -0.062 1.00 44.43 O ATOM 0 H GLY A 22 2.431 -9.799 -0.760 1.00 71.14 H new ATOM 0 HA2 GLY A 22 4.260 -8.496 1.060 1.00 33.41 H new ATOM 0 HA3 GLY A 22 4.105 -10.208 0.721 1.00 33.41 H new ATOM 331 N ASP A 23 5.436 -8.675 -1.778 1.00 54.00 N ATOM 332 CA ASP A 23 6.608 -8.400 -2.623 1.00 0.14 C ATOM 333 C ASP A 23 6.623 -6.883 -2.967 1.00 23.40 C ATOM 334 O ASP A 23 5.676 -6.362 -3.575 1.00 2.32 O ATOM 335 CB ASP A 23 6.542 -9.280 -3.903 1.00 1.12 C ATOM 336 CG ASP A 23 7.827 -9.227 -4.750 1.00 23.21 C ATOM 337 OD1 ASP A 23 8.113 -8.177 -5.361 1.00 44.40 O ATOM 338 OD2 ASP A 23 8.561 -10.234 -4.813 1.00 20.41 O ATOM 0 H ASP A 23 4.552 -8.435 -2.226 1.00 54.00 H new ATOM 0 HA ASP A 23 7.532 -8.647 -2.100 1.00 0.14 H new ATOM 0 HB2 ASP A 23 6.348 -10.313 -3.615 1.00 1.12 H new ATOM 0 HB3 ASP A 23 5.699 -8.956 -4.514 1.00 1.12 H new ATOM 343 N PHE A 24 7.714 -6.198 -2.574 1.00 21.51 N ATOM 344 CA PHE A 24 7.864 -4.727 -2.714 1.00 73.11 C ATOM 345 C PHE A 24 7.913 -4.281 -4.208 1.00 1.41 C ATOM 346 O PHE A 24 7.432 -3.197 -4.553 1.00 43.41 O ATOM 347 CB PHE A 24 9.147 -4.291 -1.950 1.00 74.24 C ATOM 348 CG PHE A 24 9.347 -2.786 -1.758 1.00 55.40 C ATOM 349 CD1 PHE A 24 8.354 -2.004 -1.167 1.00 13.14 C ATOM 350 CD2 PHE A 24 10.537 -2.154 -2.138 1.00 55.12 C ATOM 351 CE1 PHE A 24 8.543 -0.652 -0.966 1.00 52.15 C ATOM 352 CE2 PHE A 24 10.718 -0.798 -1.933 1.00 53.33 C ATOM 353 CZ PHE A 24 9.720 -0.048 -1.351 1.00 24.13 C ATOM 0 H PHE A 24 8.524 -6.648 -2.147 1.00 21.51 H new ATOM 0 HA PHE A 24 6.991 -4.237 -2.284 1.00 73.11 H new ATOM 0 HB2 PHE A 24 9.136 -4.762 -0.967 1.00 74.24 H new ATOM 0 HB3 PHE A 24 10.012 -4.685 -2.483 1.00 74.24 H new ATOM 0 HD1 PHE A 24 7.425 -2.463 -0.863 1.00 13.14 H new ATOM 0 HD2 PHE A 24 11.324 -2.733 -2.597 1.00 55.12 H new ATOM 0 HE1 PHE A 24 7.764 -0.064 -0.504 1.00 52.15 H new ATOM 0 HE2 PHE A 24 11.643 -0.327 -2.230 1.00 53.33 H new ATOM 0 HZ PHE A 24 9.860 1.012 -1.197 1.00 24.13 H new ATOM 363 N SER A 25 8.455 -5.146 -5.084 1.00 63.21 N ATOM 364 CA SER A 25 8.591 -4.862 -6.543 1.00 51.02 C ATOM 365 C SER A 25 7.276 -5.150 -7.319 1.00 2.20 C ATOM 366 O SER A 25 7.033 -4.575 -8.382 1.00 62.25 O ATOM 367 CB SER A 25 9.723 -5.727 -7.153 1.00 3.41 C ATOM 368 OG SER A 25 9.911 -5.467 -8.542 1.00 74.44 O ATOM 0 H SER A 25 8.813 -6.061 -4.812 1.00 63.21 H new ATOM 0 HA SER A 25 8.826 -3.802 -6.639 1.00 51.02 H new ATOM 0 HB2 SER A 25 10.654 -5.533 -6.620 1.00 3.41 H new ATOM 0 HB3 SER A 25 9.488 -6.782 -7.011 1.00 3.41 H new ATOM 0 HG SER A 25 10.634 -6.032 -8.886 1.00 74.44 H new ATOM 374 N ALA A 26 6.405 -6.012 -6.757 1.00 51.50 N ATOM 375 CA ALA A 26 5.297 -6.662 -7.509 1.00 5.14 C ATOM 376 C ALA A 26 3.964 -5.898 -7.389 1.00 33.44 C ATOM 377 O ALA A 26 2.883 -6.460 -7.626 1.00 43.22 O ATOM 378 CB ALA A 26 5.137 -8.094 -7.013 1.00 44.22 C ATOM 0 H ALA A 26 6.444 -6.281 -5.774 1.00 51.50 H new ATOM 0 HA ALA A 26 5.560 -6.654 -8.567 1.00 5.14 H new ATOM 0 HB1 ALA A 26 4.327 -8.579 -7.558 1.00 44.22 H new ATOM 0 HB2 ALA A 26 6.065 -8.642 -7.178 1.00 44.22 H new ATOM 0 HB3 ALA A 26 4.904 -8.086 -5.948 1.00 44.22 H new ATOM 384 N ILE A 27 4.060 -4.606 -7.072 1.00 74.25 N ATOM 385 CA ILE A 27 2.893 -3.724 -6.904 1.00 32.23 C ATOM 386 C ILE A 27 2.172 -3.458 -8.265 1.00 14.15 C ATOM 387 O ILE A 27 0.974 -3.181 -8.299 1.00 10.03 O ATOM 388 CB ILE A 27 3.313 -2.389 -6.172 1.00 21.54 C ATOM 389 CG1 ILE A 27 2.058 -1.521 -5.854 1.00 12.14 C ATOM 390 CG2 ILE A 27 4.366 -1.600 -6.983 1.00 3.33 C ATOM 391 CD1 ILE A 27 2.288 -0.321 -4.948 1.00 1.03 C ATOM 0 H ILE A 27 4.952 -4.135 -6.923 1.00 74.25 H new ATOM 0 HA ILE A 27 2.166 -4.231 -6.269 1.00 32.23 H new ATOM 0 HB ILE A 27 3.783 -2.657 -5.226 1.00 21.54 H new ATOM 0 HG12 ILE A 27 1.639 -1.165 -6.795 1.00 12.14 H new ATOM 0 HG13 ILE A 27 1.306 -2.161 -5.392 1.00 12.14 H new ATOM 0 HG21 ILE A 27 4.630 -0.688 -6.447 1.00 3.33 H new ATOM 0 HG22 ILE A 27 5.257 -2.213 -7.116 1.00 3.33 H new ATOM 0 HG23 ILE A 27 3.955 -1.341 -7.959 1.00 3.33 H new ATOM 0 HD11 ILE A 27 1.346 0.207 -4.797 1.00 1.03 H new ATOM 0 HD12 ILE A 27 2.672 -0.660 -3.986 1.00 1.03 H new ATOM 0 HD13 ILE A 27 3.010 0.351 -5.411 1.00 1.03 H new ATOM 403 N HIS A 28 2.913 -3.630 -9.381 1.00 71.55 N ATOM 404 CA HIS A 28 2.369 -3.536 -10.769 1.00 44.32 C ATOM 405 C HIS A 28 1.274 -4.600 -11.088 1.00 10.35 C ATOM 406 O HIS A 28 0.580 -4.487 -12.099 1.00 34.22 O ATOM 407 CB HIS A 28 3.532 -3.645 -11.797 1.00 11.40 C ATOM 408 CG HIS A 28 4.368 -4.898 -11.668 1.00 42.25 C ATOM 409 ND1 HIS A 28 3.927 -6.142 -12.055 1.00 20.35 N ATOM 410 CD2 HIS A 28 5.612 -5.095 -11.171 1.00 71.40 C ATOM 411 CE1 HIS A 28 4.855 -7.039 -11.799 1.00 73.31 C ATOM 412 NE2 HIS A 28 5.890 -6.434 -11.273 1.00 40.54 N ATOM 0 H HIS A 28 3.911 -3.839 -9.353 1.00 71.55 H new ATOM 0 HA HIS A 28 1.881 -2.564 -10.845 1.00 44.32 H new ATOM 0 HB2 HIS A 28 3.115 -3.604 -12.803 1.00 11.40 H new ATOM 0 HB3 HIS A 28 4.182 -2.777 -11.685 1.00 11.40 H new ATOM 0 HD2 HIS A 28 6.266 -4.336 -10.768 1.00 71.40 H new ATOM 0 HE1 HIS A 28 4.776 -8.099 -11.991 1.00 73.31 H new ATOM 0 HE2 HIS A 28 6.759 -6.884 -10.986 1.00 40.54 H new ATOM 421 N ARG A 29 1.152 -5.644 -10.241 1.00 53.41 N ATOM 422 CA ARG A 29 0.169 -6.737 -10.444 1.00 44.43 C ATOM 423 C ARG A 29 -1.254 -6.323 -10.005 1.00 21.32 C ATOM 424 O ARG A 29 -2.221 -6.507 -10.748 1.00 22.01 O ATOM 425 CB ARG A 29 0.619 -8.018 -9.688 1.00 50.13 C ATOM 426 CG ARG A 29 2.011 -8.538 -10.110 1.00 2.54 C ATOM 427 CD ARG A 29 2.382 -9.883 -9.471 1.00 3.00 C ATOM 428 NE ARG A 29 2.466 -9.829 -7.997 1.00 21.04 N ATOM 429 CZ ARG A 29 2.896 -10.815 -7.230 1.00 42.22 C ATOM 430 NH1 ARG A 29 3.203 -11.971 -7.725 1.00 31.33 N ATOM 431 NH2 ARG A 29 3.019 -10.625 -5.966 1.00 64.23 N ATOM 0 H ARG A 29 1.725 -5.756 -9.404 1.00 53.41 H new ATOM 0 HA ARG A 29 0.132 -6.949 -11.513 1.00 44.43 H new ATOM 0 HB2 ARG A 29 0.628 -7.812 -8.618 1.00 50.13 H new ATOM 0 HB3 ARG A 29 -0.117 -8.804 -9.855 1.00 50.13 H new ATOM 0 HG2 ARG A 29 2.038 -8.640 -11.195 1.00 2.54 H new ATOM 0 HG3 ARG A 29 2.764 -7.797 -9.841 1.00 2.54 H new ATOM 0 HD2 ARG A 29 1.642 -10.630 -9.758 1.00 3.00 H new ATOM 0 HD3 ARG A 29 3.341 -10.214 -9.870 1.00 3.00 H new ATOM 0 HE ARG A 29 2.170 -8.967 -7.538 1.00 21.04 H new ATOM 0 HH11 ARG A 29 3.115 -12.136 -8.728 1.00 31.33 H new ATOM 0 HH12 ARG A 29 3.533 -12.717 -7.112 1.00 31.33 H new ATOM 0 HH21 ARG A 29 2.785 -9.718 -5.561 1.00 64.23 H new ATOM 0 HH22 ARG A 29 3.350 -11.381 -5.367 1.00 64.23 H new ATOM 445 N TRP A 30 -1.364 -5.710 -8.814 1.00 14.30 N ATOM 446 CA TRP A 30 -2.677 -5.424 -8.176 1.00 34.42 C ATOM 447 C TRP A 30 -3.061 -3.940 -8.305 1.00 5.11 C ATOM 448 O TRP A 30 -4.251 -3.603 -8.356 1.00 74.11 O ATOM 449 CB TRP A 30 -2.668 -5.840 -6.683 1.00 43.21 C ATOM 450 CG TRP A 30 -1.606 -5.183 -5.828 1.00 35.41 C ATOM 451 CD1 TRP A 30 -0.283 -5.522 -5.751 1.00 63.43 C ATOM 452 CD2 TRP A 30 -1.789 -4.095 -4.906 1.00 32.12 C ATOM 453 NE1 TRP A 30 0.358 -4.706 -4.860 1.00 71.40 N ATOM 454 CE2 TRP A 30 -0.544 -3.829 -4.325 1.00 73.41 C ATOM 455 CE3 TRP A 30 -2.886 -3.317 -4.527 1.00 40.14 C ATOM 456 CZ2 TRP A 30 -0.360 -2.828 -3.376 1.00 42.52 C ATOM 457 CZ3 TRP A 30 -2.707 -2.326 -3.583 1.00 14.01 C ATOM 458 CH2 TRP A 30 -1.448 -2.089 -3.020 1.00 1.25 C ATOM 0 H TRP A 30 -0.562 -5.399 -8.266 1.00 14.30 H new ATOM 0 HA TRP A 30 -3.426 -6.015 -8.704 1.00 34.42 H new ATOM 0 HB2 TRP A 30 -3.645 -5.614 -6.255 1.00 43.21 H new ATOM 0 HB3 TRP A 30 -2.538 -6.921 -6.626 1.00 43.21 H new ATOM 0 HD1 TRP A 30 0.186 -6.317 -6.311 1.00 63.43 H new ATOM 0 HE1 TRP A 30 1.351 -4.746 -4.631 1.00 71.40 H new ATOM 0 HE3 TRP A 30 -3.858 -3.488 -4.965 1.00 40.14 H new ATOM 0 HZ2 TRP A 30 0.610 -2.644 -2.938 1.00 42.52 H new ATOM 0 HZ3 TRP A 30 -3.550 -1.725 -3.275 1.00 14.01 H new ATOM 0 HH2 TRP A 30 -1.336 -1.303 -2.287 1.00 1.25 H new ATOM 469 N HIS A 31 -2.043 -3.058 -8.332 1.00 53.11 N ATOM 470 CA HIS A 31 -2.246 -1.603 -8.374 1.00 51.34 C ATOM 471 C HIS A 31 -2.288 -1.110 -9.853 1.00 54.51 C ATOM 472 O HIS A 31 -1.247 -1.093 -10.521 1.00 71.11 O ATOM 473 CB HIS A 31 -1.128 -0.884 -7.584 1.00 30.03 C ATOM 474 CG HIS A 31 -1.528 0.476 -7.103 1.00 23.33 C ATOM 475 ND1 HIS A 31 -1.566 1.568 -7.937 1.00 11.11 N ATOM 476 CD2 HIS A 31 -1.915 0.850 -5.870 1.00 14.20 C ATOM 477 CE1 HIS A 31 -1.983 2.566 -7.185 1.00 15.01 C ATOM 478 NE2 HIS A 31 -2.205 2.178 -5.929 1.00 61.35 N ATOM 0 H HIS A 31 -1.062 -3.336 -8.325 1.00 53.11 H new ATOM 0 HA HIS A 31 -3.201 -1.364 -7.906 1.00 51.34 H new ATOM 0 HB2 HIS A 31 -0.845 -1.497 -6.728 1.00 30.03 H new ATOM 0 HB3 HIS A 31 -0.245 -0.794 -8.217 1.00 30.03 H new ATOM 0 HD1 HIS A 31 -1.323 1.599 -8.927 1.00 11.11 H new ATOM 0 HD2 HIS A 31 -1.983 0.216 -4.998 1.00 14.20 H new ATOM 0 HE1 HIS A 31 -2.127 3.575 -7.542 1.00 15.01 H new ATOM 486 N PRO A 32 -3.496 -0.710 -10.392 1.00 4.21 N ATOM 487 CA PRO A 32 -3.672 -0.369 -11.839 1.00 64.20 C ATOM 488 C PRO A 32 -2.887 0.887 -12.313 1.00 25.13 C ATOM 489 O PRO A 32 -2.661 1.064 -13.514 1.00 52.45 O ATOM 490 CB PRO A 32 -5.207 -0.158 -11.978 1.00 64.15 C ATOM 491 CG PRO A 32 -5.697 0.140 -10.592 1.00 74.40 C ATOM 492 CD PRO A 32 -4.773 -0.588 -9.640 1.00 45.24 C ATOM 0 HA PRO A 32 -3.269 -1.160 -12.472 1.00 64.20 H new ATOM 0 HB2 PRO A 32 -5.430 0.664 -12.658 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.690 -1.047 -12.383 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -5.685 1.213 -10.399 1.00 74.40 H new ATOM 0 HG3 PRO A 32 -6.726 -0.195 -10.465 1.00 74.40 H new ATOM 0 HD2 PRO A 32 -4.637 -0.031 -8.713 1.00 45.24 H new ATOM 0 HD3 PRO A 32 -5.171 -1.566 -9.369 1.00 45.24 H new ATOM 500 N GLN A 33 -2.476 1.755 -11.372 1.00 53.05 N ATOM 501 CA GLN A 33 -1.733 3.003 -11.701 1.00 22.33 C ATOM 502 C GLN A 33 -0.220 2.747 -11.854 1.00 25.24 C ATOM 503 O GLN A 33 0.481 3.525 -12.514 1.00 53.21 O ATOM 504 CB GLN A 33 -1.998 4.110 -10.634 1.00 70.54 C ATOM 505 CG GLN A 33 -3.414 4.741 -10.687 1.00 34.12 C ATOM 506 CD GLN A 33 -4.563 3.810 -10.302 1.00 54.14 C ATOM 507 OE1 GLN A 33 -5.664 3.917 -10.825 1.00 21.33 O ATOM 508 NE2 GLN A 33 -4.330 2.901 -9.373 1.00 71.43 N ATOM 0 H GLN A 33 -2.642 1.623 -10.374 1.00 53.05 H new ATOM 0 HA GLN A 33 -2.106 3.355 -12.663 1.00 22.33 H new ATOM 0 HB2 GLN A 33 -1.843 3.684 -9.643 1.00 70.54 H new ATOM 0 HB3 GLN A 33 -1.259 4.901 -10.760 1.00 70.54 H new ATOM 0 HG2 GLN A 33 -3.432 5.606 -10.024 1.00 34.12 H new ATOM 0 HG3 GLN A 33 -3.591 5.110 -11.697 1.00 34.12 H new ATOM 0 HE21 GLN A 33 -3.404 2.829 -8.950 1.00 71.43 H new ATOM 0 HE22 GLN A 33 -5.076 2.270 -9.078 1.00 71.43 H new ATOM 517 N VAL A 34 0.281 1.668 -11.229 1.00 51.51 N ATOM 518 CA VAL A 34 1.696 1.282 -11.335 1.00 33.40 C ATOM 519 C VAL A 34 2.000 0.615 -12.703 1.00 60.11 C ATOM 520 O VAL A 34 1.426 -0.429 -13.042 1.00 31.14 O ATOM 521 CB VAL A 34 2.108 0.328 -10.164 1.00 72.14 C ATOM 522 CG1 VAL A 34 3.576 -0.130 -10.308 1.00 44.11 C ATOM 523 CG2 VAL A 34 1.859 1.010 -8.796 1.00 54.35 C ATOM 0 H VAL A 34 -0.277 1.046 -10.643 1.00 51.51 H new ATOM 0 HA VAL A 34 2.287 2.195 -11.263 1.00 33.40 H new ATOM 0 HB VAL A 34 1.484 -0.564 -10.214 1.00 72.14 H new ATOM 0 HG11 VAL A 34 3.834 -0.791 -9.481 1.00 44.11 H new ATOM 0 HG12 VAL A 34 3.700 -0.663 -11.251 1.00 44.11 H new ATOM 0 HG13 VAL A 34 4.232 0.741 -10.294 1.00 44.11 H new ATOM 0 HG21 VAL A 34 2.151 0.333 -7.993 1.00 54.35 H new ATOM 0 HG22 VAL A 34 2.449 1.924 -8.732 1.00 54.35 H new ATOM 0 HG23 VAL A 34 0.801 1.254 -8.698 1.00 54.35 H new ATOM 533 N SER A 35 2.901 1.250 -13.472 1.00 74.44 N ATOM 534 CA SER A 35 3.405 0.725 -14.757 1.00 74.40 C ATOM 535 C SER A 35 4.377 -0.455 -14.518 1.00 3.34 C ATOM 536 O SER A 35 4.004 -1.618 -14.696 1.00 51.11 O ATOM 537 CB SER A 35 4.095 1.854 -15.563 1.00 44.12 C ATOM 538 OG SER A 35 3.217 2.941 -15.774 1.00 3.02 O ATOM 0 H SER A 35 3.305 2.151 -13.218 1.00 74.44 H new ATOM 0 HA SER A 35 2.561 0.354 -15.338 1.00 74.40 H new ATOM 0 HB2 SER A 35 4.981 2.197 -15.028 1.00 44.12 H new ATOM 0 HB3 SER A 35 4.433 1.465 -16.523 1.00 44.12 H new ATOM 0 HG SER A 35 3.581 3.744 -15.345 1.00 3.02 H new ATOM 544 N ALA A 36 5.608 -0.140 -14.062 1.00 0.33 N ATOM 545 CA ALA A 36 6.674 -1.143 -13.816 1.00 72.44 C ATOM 546 C ALA A 36 7.846 -0.514 -13.009 1.00 42.02 C ATOM 547 O ALA A 36 8.630 0.263 -13.570 1.00 72.31 O ATOM 548 CB ALA A 36 7.188 -1.733 -15.151 1.00 45.21 C ATOM 0 H ALA A 36 5.894 0.817 -13.853 1.00 0.33 H new ATOM 0 HA ALA A 36 6.248 -1.954 -13.225 1.00 72.44 H new ATOM 0 HB1 ALA A 36 7.969 -2.466 -14.948 1.00 45.21 H new ATOM 0 HB2 ALA A 36 6.364 -2.216 -15.676 1.00 45.21 H new ATOM 0 HB3 ALA A 36 7.594 -0.933 -15.770 1.00 45.21 H new ATOM 554 N PRO A 37 7.963 -0.794 -11.670 1.00 72.54 N ATOM 555 CA PRO A 37 9.081 -0.285 -10.838 1.00 3.23 C ATOM 556 C PRO A 37 10.386 -1.126 -10.968 1.00 31.24 C ATOM 557 O PRO A 37 10.346 -2.340 -11.205 1.00 4.53 O ATOM 558 CB PRO A 37 8.493 -0.345 -9.407 1.00 14.32 C ATOM 559 CG PRO A 37 7.558 -1.520 -9.434 1.00 0.43 C ATOM 560 CD PRO A 37 7.009 -1.600 -10.856 1.00 54.20 C ATOM 0 HA PRO A 37 9.401 0.712 -11.141 1.00 3.23 H new ATOM 0 HB2 PRO A 37 9.277 -0.478 -8.661 1.00 14.32 H new ATOM 0 HB3 PRO A 37 7.967 0.576 -9.155 1.00 14.32 H new ATOM 0 HG2 PRO A 37 8.081 -2.439 -9.167 1.00 0.43 H new ATOM 0 HG3 PRO A 37 6.751 -1.391 -8.713 1.00 0.43 H new ATOM 0 HD2 PRO A 37 6.962 -2.631 -11.206 1.00 54.20 H new ATOM 0 HD3 PRO A 37 5.998 -1.197 -10.915 1.00 54.20 H new ATOM 568 N THR A 38 11.534 -0.450 -10.789 1.00 4.10 N ATOM 569 CA THR A 38 12.876 -1.073 -10.814 1.00 3.41 C ATOM 570 C THR A 38 13.353 -1.285 -9.366 1.00 43.12 C ATOM 571 O THR A 38 13.442 -0.319 -8.600 1.00 22.13 O ATOM 572 CB THR A 38 13.917 -0.180 -11.582 1.00 2.23 C ATOM 573 OG1 THR A 38 13.455 0.072 -12.920 1.00 14.22 O ATOM 574 CG2 THR A 38 15.316 -0.842 -11.640 1.00 3.51 C ATOM 0 H THR A 38 11.560 0.556 -10.621 1.00 4.10 H new ATOM 0 HA THR A 38 12.803 -2.026 -11.339 1.00 3.41 H new ATOM 0 HB THR A 38 14.009 0.758 -11.034 1.00 2.23 H new ATOM 0 HG1 THR A 38 14.108 0.630 -13.392 1.00 14.22 H new ATOM 0 HG21 THR A 38 16.004 -0.191 -12.179 1.00 3.51 H new ATOM 0 HG22 THR A 38 15.686 -1.001 -10.627 1.00 3.51 H new ATOM 0 HG23 THR A 38 15.244 -1.800 -12.155 1.00 3.51 H new ATOM 582 N LEU A 39 13.688 -2.534 -8.998 1.00 23.33 N ATOM 583 CA LEU A 39 14.050 -2.876 -7.604 1.00 40.00 C ATOM 584 C LEU A 39 15.589 -2.797 -7.442 1.00 5.12 C ATOM 585 O LEU A 39 16.339 -3.390 -8.221 1.00 3.31 O ATOM 586 CB LEU A 39 13.481 -4.284 -7.218 1.00 40.21 C ATOM 587 CG LEU A 39 13.087 -4.499 -5.712 1.00 3.40 C ATOM 588 CD1 LEU A 39 14.292 -4.432 -4.763 1.00 22.31 C ATOM 589 CD2 LEU A 39 11.986 -3.506 -5.273 1.00 0.00 C ATOM 0 H LEU A 39 13.717 -3.324 -9.642 1.00 23.33 H new ATOM 0 HA LEU A 39 13.601 -2.159 -6.917 1.00 40.00 H new ATOM 0 HB2 LEU A 39 12.600 -4.474 -7.830 1.00 40.21 H new ATOM 0 HB3 LEU A 39 14.223 -5.036 -7.486 1.00 40.21 H new ATOM 0 HG LEU A 39 12.689 -5.511 -5.643 1.00 3.40 H new ATOM 0 HD11 LEU A 39 13.957 -4.588 -3.738 1.00 22.31 H new ATOM 0 HD12 LEU A 39 15.010 -5.207 -5.032 1.00 22.31 H new ATOM 0 HD13 LEU A 39 14.766 -3.454 -4.845 1.00 22.31 H new ATOM 0 HD21 LEU A 39 11.735 -3.680 -4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.347 -2.485 -5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.098 -3.652 -5.888 1.00 0.00 H new ATOM 601 N ARG A 40 16.036 -2.054 -6.415 1.00 45.15 N ATOM 602 CA ARG A 40 17.461 -1.741 -6.174 1.00 3.43 C ATOM 603 C ARG A 40 17.872 -2.173 -4.745 1.00 53.14 C ATOM 604 O ARG A 40 17.073 -2.048 -3.817 1.00 45.04 O ATOM 605 CB ARG A 40 17.702 -0.214 -6.351 1.00 74.10 C ATOM 606 CG ARG A 40 17.111 0.378 -7.654 1.00 40.45 C ATOM 607 CD ARG A 40 17.490 1.851 -7.864 1.00 54.41 C ATOM 608 NE ARG A 40 17.113 2.716 -6.725 1.00 35.11 N ATOM 609 CZ ARG A 40 17.686 3.869 -6.431 1.00 62.41 C ATOM 610 NH1 ARG A 40 18.686 4.324 -7.127 1.00 62.03 N ATOM 611 NH2 ARG A 40 17.273 4.552 -5.417 1.00 13.20 N ATOM 0 H ARG A 40 15.412 -1.647 -5.718 1.00 45.15 H new ATOM 0 HA ARG A 40 18.068 -2.289 -6.895 1.00 3.43 H new ATOM 0 HB2 ARG A 40 17.270 0.311 -5.499 1.00 74.10 H new ATOM 0 HB3 ARG A 40 18.775 -0.023 -6.333 1.00 74.10 H new ATOM 0 HG2 ARG A 40 17.461 -0.207 -8.505 1.00 40.45 H new ATOM 0 HG3 ARG A 40 16.025 0.287 -7.629 1.00 40.45 H new ATOM 0 HD2 ARG A 40 18.565 1.923 -8.027 1.00 54.41 H new ATOM 0 HD3 ARG A 40 17.005 2.219 -8.768 1.00 54.41 H new ATOM 0 HE ARG A 40 16.354 2.398 -6.122 1.00 35.11 H new ATOM 0 HH11 ARG A 40 19.043 3.788 -7.918 1.00 62.03 H new ATOM 0 HH12 ARG A 40 19.113 5.217 -6.882 1.00 62.03 H new ATOM 0 HH21 ARG A 40 16.505 4.201 -4.844 1.00 13.20 H new ATOM 0 HH22 ARG A 40 17.714 5.443 -5.188 1.00 13.20 H new ATOM 625 N GLY A 41 19.153 -2.568 -4.591 1.00 60.21 N ATOM 626 CA GLY A 41 19.728 -3.104 -3.333 1.00 54.44 C ATOM 627 C GLY A 41 18.948 -4.238 -2.611 1.00 54.11 C ATOM 628 O GLY A 41 17.733 -4.171 -2.416 1.00 55.15 O ATOM 0 H GLY A 41 19.832 -2.524 -5.351 1.00 60.21 H new ATOM 0 HA2 GLY A 41 20.730 -3.472 -3.552 1.00 54.44 H new ATOM 0 HA3 GLY A 41 19.839 -2.275 -2.634 1.00 54.44 H new ATOM 632 N ALA A 42 19.700 -5.295 -2.227 1.00 11.25 N ATOM 633 CA ALA A 42 19.217 -6.434 -1.414 1.00 40.21 C ATOM 634 C ALA A 42 18.172 -7.325 -2.155 1.00 11.02 C ATOM 635 O ALA A 42 18.555 -8.268 -2.864 1.00 42.41 O ATOM 636 CB ALA A 42 18.708 -5.964 -0.030 1.00 10.44 C ATOM 0 H ALA A 42 20.684 -5.381 -2.481 1.00 11.25 H new ATOM 0 HA ALA A 42 20.080 -7.079 -1.247 1.00 40.21 H new ATOM 0 HB1 ALA A 42 18.361 -6.825 0.541 1.00 10.44 H new ATOM 0 HB2 ALA A 42 19.519 -5.474 0.509 1.00 10.44 H new ATOM 0 HB3 ALA A 42 17.885 -5.262 -0.164 1.00 10.44 H new ATOM 642 N SER A 43 16.869 -6.995 -2.018 1.00 32.53 N ATOM 643 CA SER A 43 15.737 -7.851 -2.478 1.00 74.14 C ATOM 644 C SER A 43 14.380 -7.174 -2.160 1.00 33.24 C ATOM 645 O SER A 43 14.276 -6.465 -1.159 1.00 63.31 O ATOM 646 CB SER A 43 15.773 -9.243 -1.775 1.00 11.35 C ATOM 647 OG SER A 43 14.599 -10.011 -2.016 1.00 45.15 O ATOM 0 H SER A 43 16.564 -6.124 -1.584 1.00 32.53 H new ATOM 0 HA SER A 43 15.842 -7.983 -3.555 1.00 74.14 H new ATOM 0 HB2 SER A 43 16.644 -9.799 -2.123 1.00 11.35 H new ATOM 0 HB3 SER A 43 15.895 -9.100 -0.701 1.00 11.35 H new ATOM 0 HG SER A 43 14.672 -10.873 -1.556 1.00 45.15 H new ATOM 653 N PRO A 44 13.293 -7.415 -2.979 1.00 34.55 N ATOM 654 CA PRO A 44 11.917 -6.916 -2.657 1.00 14.43 C ATOM 655 C PRO A 44 11.304 -7.574 -1.387 1.00 62.21 C ATOM 656 O PRO A 44 10.216 -7.198 -0.942 1.00 10.31 O ATOM 657 CB PRO A 44 11.108 -7.280 -3.928 1.00 14.44 C ATOM 658 CG PRO A 44 11.849 -8.441 -4.520 1.00 53.23 C ATOM 659 CD PRO A 44 13.310 -8.152 -4.274 1.00 43.01 C ATOM 0 HA PRO A 44 11.915 -5.852 -2.422 1.00 14.43 H new ATOM 0 HB2 PRO A 44 10.080 -7.548 -3.682 1.00 14.44 H new ATOM 0 HB3 PRO A 44 11.061 -6.442 -4.623 1.00 14.44 H new ATOM 0 HG2 PRO A 44 11.550 -9.378 -4.051 1.00 53.23 H new ATOM 0 HG3 PRO A 44 11.642 -8.537 -5.586 1.00 53.23 H new ATOM 0 HD2 PRO A 44 13.897 -9.068 -4.209 1.00 43.01 H new ATOM 0 HD3 PRO A 44 13.743 -7.552 -5.074 1.00 43.01 H new ATOM 667 N HIS A 45 12.004 -8.579 -0.832 1.00 32.34 N ATOM 668 CA HIS A 45 11.613 -9.253 0.421 1.00 15.13 C ATOM 669 C HIS A 45 12.575 -8.905 1.590 1.00 41.42 C ATOM 670 O HIS A 45 12.303 -9.270 2.740 1.00 3.30 O ATOM 671 CB HIS A 45 11.567 -10.780 0.191 1.00 63.32 C ATOM 672 CG HIS A 45 10.562 -11.209 -0.848 1.00 34.40 C ATOM 673 ND1 HIS A 45 9.216 -11.356 -0.576 1.00 30.11 N ATOM 674 CD2 HIS A 45 10.707 -11.509 -2.162 1.00 22.03 C ATOM 675 CE1 HIS A 45 8.585 -11.730 -1.669 1.00 4.33 C ATOM 676 NE2 HIS A 45 9.462 -11.827 -2.644 1.00 62.43 N ATOM 0 H HIS A 45 12.862 -8.949 -1.242 1.00 32.34 H new ATOM 0 HA HIS A 45 10.623 -8.897 0.705 1.00 15.13 H new ATOM 0 HB2 HIS A 45 12.557 -11.122 -0.111 1.00 63.32 H new ATOM 0 HB3 HIS A 45 11.333 -11.273 1.134 1.00 63.32 H new ATOM 0 HD2 HIS A 45 11.629 -11.500 -2.724 1.00 22.03 H new ATOM 0 HE1 HIS A 45 7.526 -11.924 -1.751 1.00 4.33 H new ATOM 0 HE2 HIS A 45 9.251 -12.096 -3.605 1.00 62.43 H new ATOM 685 N THR A 46 13.690 -8.197 1.302 1.00 75.01 N ATOM 686 CA THR A 46 14.699 -7.826 2.333 1.00 54.21 C ATOM 687 C THR A 46 14.575 -6.326 2.736 1.00 21.43 C ATOM 688 O THR A 46 14.664 -5.451 1.866 1.00 3.53 O ATOM 689 CB THR A 46 16.160 -8.115 1.843 1.00 34.42 C ATOM 690 OG1 THR A 46 16.281 -9.500 1.469 1.00 51.34 O ATOM 691 CG2 THR A 46 17.220 -7.792 2.923 1.00 14.25 C ATOM 0 H THR A 46 13.919 -7.868 0.364 1.00 75.01 H new ATOM 0 HA THR A 46 14.494 -8.445 3.206 1.00 54.21 H new ATOM 0 HB THR A 46 16.346 -7.466 0.987 1.00 34.42 H new ATOM 0 HG1 THR A 46 17.195 -9.677 1.162 1.00 51.34 H new ATOM 0 HG21 THR A 46 18.214 -8.010 2.533 1.00 14.25 H new ATOM 0 HG22 THR A 46 17.158 -6.737 3.190 1.00 14.25 H new ATOM 0 HG23 THR A 46 17.036 -8.402 3.808 1.00 14.25 H new ATOM 699 N PRO A 47 14.342 -6.019 4.062 1.00 4.33 N ATOM 700 CA PRO A 47 14.345 -4.621 4.594 1.00 70.32 C ATOM 701 C PRO A 47 15.638 -3.834 4.235 1.00 22.12 C ATOM 702 O PRO A 47 16.747 -4.258 4.583 1.00 0.01 O ATOM 703 CB PRO A 47 14.228 -4.833 6.127 1.00 75.24 C ATOM 704 CG PRO A 47 13.516 -6.147 6.273 1.00 63.51 C ATOM 705 CD PRO A 47 14.017 -7.006 5.136 1.00 22.03 C ATOM 0 HA PRO A 47 13.543 -4.019 4.167 1.00 70.32 H new ATOM 0 HB2 PRO A 47 15.210 -4.859 6.600 1.00 75.24 H new ATOM 0 HB3 PRO A 47 13.669 -4.024 6.598 1.00 75.24 H new ATOM 0 HG2 PRO A 47 13.734 -6.606 7.237 1.00 63.51 H new ATOM 0 HG3 PRO A 47 12.435 -6.016 6.219 1.00 63.51 H new ATOM 0 HD2 PRO A 47 14.894 -7.584 5.427 1.00 22.03 H new ATOM 0 HD3 PRO A 47 13.260 -7.719 4.809 1.00 22.03 H new ATOM 713 N GLY A 48 15.478 -2.697 3.529 1.00 22.35 N ATOM 714 CA GLY A 48 16.615 -1.887 3.045 1.00 24.42 C ATOM 715 C GLY A 48 16.592 -1.650 1.531 1.00 54.12 C ATOM 716 O GLY A 48 17.417 -0.894 1.007 1.00 14.14 O ATOM 0 H GLY A 48 14.565 -2.316 3.280 1.00 22.35 H new ATOM 0 HA2 GLY A 48 16.609 -0.924 3.556 1.00 24.42 H new ATOM 0 HA3 GLY A 48 17.547 -2.385 3.313 1.00 24.42 H new ATOM 720 N ALA A 49 15.645 -2.304 0.827 1.00 32.34 N ATOM 721 CA ALA A 49 15.499 -2.200 -0.647 1.00 64.00 C ATOM 722 C ALA A 49 14.867 -0.858 -1.099 1.00 71.11 C ATOM 723 O ALA A 49 14.431 -0.057 -0.273 1.00 1.24 O ATOM 724 CB ALA A 49 14.649 -3.370 -1.147 1.00 0.13 C ATOM 0 H ALA A 49 14.958 -2.920 1.261 1.00 32.34 H new ATOM 0 HA ALA A 49 16.499 -2.236 -1.080 1.00 64.00 H new ATOM 0 HB1 ALA A 49 14.536 -3.302 -2.229 1.00 0.13 H new ATOM 0 HB2 ALA A 49 15.138 -4.310 -0.892 1.00 0.13 H new ATOM 0 HB3 ALA A 49 13.666 -3.333 -0.677 1.00 0.13 H new ATOM 730 N GLU A 50 14.837 -0.621 -2.432 1.00 5.50 N ATOM 731 CA GLU A 50 14.169 0.559 -3.060 1.00 62.34 C ATOM 732 C GLU A 50 13.444 0.159 -4.367 1.00 42.43 C ATOM 733 O GLU A 50 13.841 -0.791 -5.025 1.00 13.33 O ATOM 734 CB GLU A 50 15.201 1.689 -3.359 1.00 4.04 C ATOM 735 CG GLU A 50 15.848 2.309 -2.106 1.00 32.14 C ATOM 736 CD GLU A 50 16.778 3.482 -2.420 1.00 32.13 C ATOM 737 OE1 GLU A 50 16.281 4.620 -2.564 1.00 35.00 O ATOM 738 OE2 GLU A 50 18.003 3.280 -2.531 1.00 55.11 O ATOM 0 H GLU A 50 15.276 -1.243 -3.111 1.00 5.50 H new ATOM 0 HA GLU A 50 13.431 0.932 -2.350 1.00 62.34 H new ATOM 0 HB2 GLU A 50 15.987 1.286 -3.997 1.00 4.04 H new ATOM 0 HB3 GLU A 50 14.704 2.478 -3.924 1.00 4.04 H new ATOM 0 HG2 GLU A 50 15.063 2.648 -1.431 1.00 32.14 H new ATOM 0 HG3 GLU A 50 16.411 1.539 -1.578 1.00 32.14 H new ATOM 745 N ARG A 51 12.376 0.898 -4.740 1.00 11.22 N ATOM 746 CA ARG A 51 11.662 0.715 -6.032 1.00 23.54 C ATOM 747 C ARG A 51 11.474 2.079 -6.740 1.00 71.01 C ATOM 748 O ARG A 51 11.078 3.064 -6.110 1.00 31.03 O ATOM 749 CB ARG A 51 10.300 -0.013 -5.825 1.00 44.14 C ATOM 750 CG ARG A 51 9.260 0.743 -4.966 1.00 23.01 C ATOM 751 CD ARG A 51 7.962 -0.062 -4.770 1.00 5.32 C ATOM 752 NE ARG A 51 6.955 0.669 -3.975 1.00 23.02 N ATOM 753 CZ ARG A 51 5.912 0.132 -3.369 1.00 32.44 C ATOM 754 NH1 ARG A 51 5.693 -1.152 -3.401 1.00 25.04 N ATOM 755 NH2 ARG A 51 5.095 0.897 -2.725 1.00 3.25 N ATOM 0 H ARG A 51 11.982 1.638 -4.158 1.00 11.22 H new ATOM 0 HA ARG A 51 12.271 0.080 -6.675 1.00 23.54 H new ATOM 0 HB2 ARG A 51 9.862 -0.210 -6.803 1.00 44.14 H new ATOM 0 HB3 ARG A 51 10.493 -0.980 -5.361 1.00 44.14 H new ATOM 0 HG2 ARG A 51 9.694 0.970 -3.992 1.00 23.01 H new ATOM 0 HG3 ARG A 51 9.025 1.696 -5.440 1.00 23.01 H new ATOM 0 HD2 ARG A 51 7.541 -0.308 -5.745 1.00 5.32 H new ATOM 0 HD3 ARG A 51 8.195 -1.005 -4.276 1.00 5.32 H new ATOM 0 HE ARG A 51 7.076 1.678 -3.886 1.00 23.02 H new ATOM 0 HH11 ARG A 51 6.335 -1.766 -3.902 1.00 25.04 H new ATOM 0 HH12 ARG A 51 4.880 -1.543 -2.925 1.00 25.04 H new ATOM 0 HH21 ARG A 51 5.259 1.903 -2.689 1.00 3.25 H new ATOM 0 HH22 ARG A 51 4.285 0.495 -2.252 1.00 3.25 H new ATOM 769 N VAL A 52 11.809 2.136 -8.049 1.00 13.00 N ATOM 770 CA VAL A 52 11.713 3.369 -8.868 1.00 45.40 C ATOM 771 C VAL A 52 10.731 3.149 -10.054 1.00 2.12 C ATOM 772 O VAL A 52 11.033 2.405 -10.991 1.00 20.33 O ATOM 773 CB VAL A 52 13.130 3.805 -9.402 1.00 1.53 C ATOM 774 CG1 VAL A 52 13.041 5.126 -10.204 1.00 3.31 C ATOM 775 CG2 VAL A 52 14.158 3.928 -8.245 1.00 74.23 C ATOM 0 H VAL A 52 12.154 1.329 -8.569 1.00 13.00 H new ATOM 0 HA VAL A 52 11.330 4.170 -8.236 1.00 45.40 H new ATOM 0 HB VAL A 52 13.481 3.024 -10.076 1.00 1.53 H new ATOM 0 HG11 VAL A 52 14.033 5.403 -10.560 1.00 3.31 H new ATOM 0 HG12 VAL A 52 12.374 4.990 -11.056 1.00 3.31 H new ATOM 0 HG13 VAL A 52 12.653 5.916 -9.562 1.00 3.31 H new ATOM 0 HG21 VAL A 52 15.125 4.230 -8.648 1.00 74.23 H new ATOM 0 HG22 VAL A 52 13.813 4.675 -7.530 1.00 74.23 H new ATOM 0 HG23 VAL A 52 14.259 2.965 -7.744 1.00 74.23 H new ATOM 785 N PHE A 53 9.571 3.825 -10.001 1.00 61.44 N ATOM 786 CA PHE A 53 8.420 3.577 -10.916 1.00 74.45 C ATOM 787 C PHE A 53 8.669 4.065 -12.368 1.00 51.12 C ATOM 788 O PHE A 53 8.484 5.236 -12.689 1.00 21.24 O ATOM 789 CB PHE A 53 7.150 4.223 -10.311 1.00 73.13 C ATOM 790 CG PHE A 53 6.671 3.522 -9.043 1.00 61.43 C ATOM 791 CD1 PHE A 53 7.249 3.793 -7.809 1.00 61.11 C ATOM 792 CD2 PHE A 53 5.663 2.568 -9.090 1.00 64.21 C ATOM 793 CE1 PHE A 53 6.833 3.146 -6.672 1.00 52.05 C ATOM 794 CE2 PHE A 53 5.246 1.923 -7.946 1.00 61.02 C ATOM 795 CZ PHE A 53 5.828 2.208 -6.743 1.00 22.34 C ATOM 0 H PHE A 53 9.394 4.565 -9.322 1.00 61.44 H new ATOM 0 HA PHE A 53 8.286 2.498 -10.999 1.00 74.45 H new ATOM 0 HB2 PHE A 53 7.354 5.270 -10.086 1.00 73.13 H new ATOM 0 HB3 PHE A 53 6.352 4.206 -11.053 1.00 73.13 H new ATOM 0 HD1 PHE A 53 8.040 4.526 -7.743 1.00 61.11 H new ATOM 0 HD2 PHE A 53 5.200 2.328 -10.036 1.00 64.21 H new ATOM 0 HE1 PHE A 53 7.294 3.373 -5.722 1.00 52.05 H new ATOM 0 HE2 PHE A 53 4.456 1.189 -8.000 1.00 61.02 H new ATOM 0 HZ PHE A 53 5.500 1.698 -5.849 1.00 22.34 H new ATOM 805 N GLY A 54 9.077 3.135 -13.247 1.00 62.22 N ATOM 806 CA GLY A 54 9.394 3.448 -14.650 1.00 33.31 C ATOM 807 C GLY A 54 10.905 3.557 -14.873 1.00 62.21 C ATOM 808 O GLY A 54 11.466 2.802 -15.679 1.00 44.44 O ATOM 0 H GLY A 54 9.196 2.151 -13.007 1.00 62.22 H new ATOM 0 HA2 GLY A 54 8.984 2.673 -15.298 1.00 33.31 H new ATOM 0 HA3 GLY A 54 8.915 4.386 -14.932 1.00 33.31 H new ATOM 812 N ALA A 55 11.539 4.501 -14.135 1.00 33.11 N ATOM 813 CA ALA A 55 13.008 4.745 -14.150 1.00 70.32 C ATOM 814 C ALA A 55 13.517 5.258 -15.533 1.00 61.14 C ATOM 815 O ALA A 55 13.584 4.499 -16.508 1.00 75.41 O ATOM 816 CB ALA A 55 13.792 3.495 -13.683 1.00 21.12 C ATOM 0 H ALA A 55 11.039 5.125 -13.502 1.00 33.11 H new ATOM 0 HA ALA A 55 13.199 5.545 -13.435 1.00 70.32 H new ATOM 0 HB1 ALA A 55 14.861 3.707 -13.706 1.00 21.12 H new ATOM 0 HB2 ALA A 55 13.494 3.238 -12.666 1.00 21.12 H new ATOM 0 HB3 ALA A 55 13.573 2.659 -14.348 1.00 21.12 H new ATOM 822 N GLY A 56 13.900 6.548 -15.592 1.00 32.24 N ATOM 823 CA GLY A 56 14.331 7.185 -16.853 1.00 4.35 C ATOM 824 C GLY A 56 13.160 7.679 -17.714 1.00 70.03 C ATOM 825 O GLY A 56 13.294 7.831 -18.935 1.00 4.12 O ATOM 0 H GLY A 56 13.920 7.169 -14.783 1.00 32.24 H new ATOM 0 HA2 GLY A 56 14.984 8.027 -16.622 1.00 4.35 H new ATOM 0 HA3 GLY A 56 14.921 6.472 -17.429 1.00 4.35 H new ATOM 829 N THR A 57 12.007 7.938 -17.065 1.00 24.32 N ATOM 830 CA THR A 57 10.755 8.349 -17.747 1.00 35.34 C ATOM 831 C THR A 57 10.330 9.782 -17.320 1.00 44.53 C ATOM 832 O THR A 57 10.628 10.753 -18.031 1.00 22.31 O ATOM 833 CB THR A 57 9.593 7.312 -17.484 1.00 43.20 C ATOM 834 OG1 THR A 57 9.348 7.162 -16.069 1.00 51.11 O ATOM 835 CG2 THR A 57 9.909 5.925 -18.089 1.00 23.22 C ATOM 0 H THR A 57 11.914 7.869 -16.052 1.00 24.32 H new ATOM 0 HA THR A 57 10.952 8.363 -18.819 1.00 35.34 H new ATOM 0 HB THR A 57 8.703 7.710 -17.972 1.00 43.20 H new ATOM 0 HG1 THR A 57 8.624 6.517 -15.929 1.00 51.11 H new ATOM 0 HG21 THR A 57 9.084 5.243 -17.885 1.00 23.22 H new ATOM 0 HG22 THR A 57 10.043 6.020 -19.167 1.00 23.22 H new ATOM 0 HG23 THR A 57 10.823 5.533 -17.643 1.00 23.22 H new ATOM 843 N GLU A 58 9.695 9.906 -16.135 1.00 72.25 N ATOM 844 CA GLU A 58 9.106 11.172 -15.620 1.00 71.22 C ATOM 845 C GLU A 58 8.422 10.863 -14.269 1.00 70.33 C ATOM 846 O GLU A 58 8.727 11.467 -13.239 1.00 23.21 O ATOM 847 CB GLU A 58 8.065 11.782 -16.635 1.00 51.54 C ATOM 848 CG GLU A 58 7.699 13.283 -16.433 1.00 13.43 C ATOM 849 CD GLU A 58 6.908 13.596 -15.140 1.00 2.34 C ATOM 850 OE1 GLU A 58 5.721 13.213 -15.050 1.00 31.42 O ATOM 851 OE2 GLU A 58 7.472 14.212 -14.204 1.00 61.43 O ATOM 0 H GLU A 58 9.572 9.121 -15.496 1.00 72.25 H new ATOM 0 HA GLU A 58 9.895 11.913 -15.491 1.00 71.22 H new ATOM 0 HB2 GLU A 58 8.459 11.659 -17.644 1.00 51.54 H new ATOM 0 HB3 GLU A 58 7.148 11.196 -16.577 1.00 51.54 H new ATOM 0 HG2 GLU A 58 8.619 13.868 -16.429 1.00 13.43 H new ATOM 0 HG3 GLU A 58 7.113 13.617 -17.289 1.00 13.43 H new ATOM 858 N GLU A 59 7.521 9.859 -14.308 1.00 32.02 N ATOM 859 CA GLU A 59 6.681 9.425 -13.156 1.00 1.34 C ATOM 860 C GLU A 59 7.457 8.588 -12.100 1.00 13.11 C ATOM 861 O GLU A 59 6.844 7.974 -11.213 1.00 14.14 O ATOM 862 CB GLU A 59 5.477 8.600 -13.695 1.00 45.11 C ATOM 863 CG GLU A 59 5.876 7.328 -14.481 1.00 73.54 C ATOM 864 CD GLU A 59 4.670 6.467 -14.893 1.00 14.40 C ATOM 865 OE1 GLU A 59 3.867 6.929 -15.728 1.00 14.14 O ATOM 866 OE2 GLU A 59 4.513 5.340 -14.380 1.00 2.32 O ATOM 0 H GLU A 59 7.349 9.314 -15.152 1.00 32.02 H new ATOM 0 HA GLU A 59 6.346 10.327 -12.645 1.00 1.34 H new ATOM 0 HB2 GLU A 59 4.845 8.311 -12.855 1.00 45.11 H new ATOM 0 HB3 GLU A 59 4.875 9.238 -14.342 1.00 45.11 H new ATOM 0 HG2 GLU A 59 6.428 7.619 -15.374 1.00 73.54 H new ATOM 0 HG3 GLU A 59 6.551 6.728 -13.870 1.00 73.54 H new ATOM 873 N GLU A 60 8.798 8.603 -12.172 1.00 32.00 N ATOM 874 CA GLU A 60 9.666 7.750 -11.347 1.00 51.12 C ATOM 875 C GLU A 60 9.683 8.181 -9.858 1.00 33.50 C ATOM 876 O GLU A 60 10.394 9.101 -9.447 1.00 41.30 O ATOM 877 CB GLU A 60 11.081 7.680 -11.986 1.00 14.12 C ATOM 878 CG GLU A 60 11.766 9.037 -12.246 1.00 5.22 C ATOM 879 CD GLU A 60 13.003 8.907 -13.143 1.00 74.11 C ATOM 880 OE1 GLU A 60 14.100 8.596 -12.630 1.00 11.35 O ATOM 881 OE2 GLU A 60 12.867 9.080 -14.370 1.00 64.22 O ATOM 0 H GLU A 60 9.313 9.212 -12.809 1.00 32.00 H new ATOM 0 HA GLU A 60 9.255 6.741 -11.332 1.00 51.12 H new ATOM 0 HB2 GLU A 60 11.724 7.088 -11.335 1.00 14.12 H new ATOM 0 HB3 GLU A 60 11.006 7.145 -12.932 1.00 14.12 H new ATOM 0 HG2 GLU A 60 11.053 9.717 -12.712 1.00 5.22 H new ATOM 0 HG3 GLU A 60 12.056 9.482 -11.294 1.00 5.22 H new ATOM 888 N LEU A 61 8.834 7.502 -9.075 1.00 35.23 N ATOM 889 CA LEU A 61 8.750 7.664 -7.616 1.00 13.11 C ATOM 890 C LEU A 61 9.762 6.711 -6.948 1.00 45.43 C ATOM 891 O LEU A 61 9.833 5.532 -7.301 1.00 25.23 O ATOM 892 CB LEU A 61 7.295 7.370 -7.139 1.00 52.21 C ATOM 893 CG LEU A 61 7.063 7.261 -5.594 1.00 65.42 C ATOM 894 CD1 LEU A 61 7.438 8.563 -4.860 1.00 44.34 C ATOM 895 CD2 LEU A 61 5.611 6.830 -5.279 1.00 2.22 C ATOM 0 H LEU A 61 8.176 6.814 -9.442 1.00 35.23 H new ATOM 0 HA LEU A 61 8.996 8.688 -7.333 1.00 13.11 H new ATOM 0 HB2 LEU A 61 6.646 8.157 -7.525 1.00 52.21 H new ATOM 0 HB3 LEU A 61 6.970 6.436 -7.597 1.00 52.21 H new ATOM 0 HG LEU A 61 7.731 6.485 -5.220 1.00 65.42 H new ATOM 0 HD11 LEU A 61 7.261 8.442 -3.791 1.00 44.34 H new ATOM 0 HD12 LEU A 61 8.491 8.786 -5.031 1.00 44.34 H new ATOM 0 HD13 LEU A 61 6.827 9.383 -5.238 1.00 44.34 H new ATOM 0 HD21 LEU A 61 5.478 6.762 -4.199 1.00 2.22 H new ATOM 0 HD22 LEU A 61 4.917 7.566 -5.685 1.00 2.22 H new ATOM 0 HD23 LEU A 61 5.414 5.858 -5.731 1.00 2.22 H new ATOM 907 N VAL A 62 10.561 7.232 -6.006 1.00 63.14 N ATOM 908 CA VAL A 62 11.545 6.425 -5.256 1.00 73.32 C ATOM 909 C VAL A 62 10.989 6.122 -3.849 1.00 31.15 C ATOM 910 O VAL A 62 10.758 7.044 -3.062 1.00 42.21 O ATOM 911 CB VAL A 62 12.935 7.157 -5.139 1.00 60.13 C ATOM 912 CG1 VAL A 62 13.992 6.254 -4.451 1.00 21.32 C ATOM 913 CG2 VAL A 62 13.433 7.644 -6.523 1.00 52.13 C ATOM 0 H VAL A 62 10.547 8.217 -5.741 1.00 63.14 H new ATOM 0 HA VAL A 62 11.709 5.496 -5.802 1.00 73.32 H new ATOM 0 HB VAL A 62 12.790 8.036 -4.510 1.00 60.13 H new ATOM 0 HG11 VAL A 62 14.940 6.788 -4.386 1.00 21.32 H new ATOM 0 HG12 VAL A 62 13.652 5.995 -3.448 1.00 21.32 H new ATOM 0 HG13 VAL A 62 14.128 5.344 -5.035 1.00 21.32 H new ATOM 0 HG21 VAL A 62 14.394 8.145 -6.408 1.00 52.13 H new ATOM 0 HG22 VAL A 62 13.546 6.790 -7.190 1.00 52.13 H new ATOM 0 HG23 VAL A 62 12.709 8.341 -6.946 1.00 52.13 H new ATOM 923 N GLU A 63 10.744 4.827 -3.558 1.00 34.12 N ATOM 924 CA GLU A 63 10.277 4.359 -2.231 1.00 21.32 C ATOM 925 C GLU A 63 11.271 3.347 -1.628 1.00 60.15 C ATOM 926 O GLU A 63 11.700 2.423 -2.310 1.00 43.12 O ATOM 927 CB GLU A 63 8.859 3.736 -2.330 1.00 32.13 C ATOM 928 CG GLU A 63 7.768 4.725 -2.772 1.00 3.30 C ATOM 929 CD GLU A 63 6.347 4.147 -2.694 1.00 12.44 C ATOM 930 OE1 GLU A 63 5.915 3.484 -3.651 1.00 52.25 O ATOM 931 OE2 GLU A 63 5.664 4.332 -1.671 1.00 72.34 O ATOM 0 H GLU A 63 10.864 4.074 -4.235 1.00 34.12 H new ATOM 0 HA GLU A 63 10.223 5.224 -1.570 1.00 21.32 H new ATOM 0 HB2 GLU A 63 8.888 2.905 -3.034 1.00 32.13 H new ATOM 0 HB3 GLU A 63 8.587 3.322 -1.359 1.00 32.13 H new ATOM 0 HG2 GLU A 63 7.823 5.617 -2.148 1.00 3.30 H new ATOM 0 HG3 GLU A 63 7.968 5.040 -3.796 1.00 3.30 H new ATOM 938 N ARG A 64 11.608 3.521 -0.336 1.00 43.11 N ATOM 939 CA ARG A 64 12.614 2.703 0.375 1.00 43.34 C ATOM 940 C ARG A 64 11.923 1.779 1.410 1.00 13.14 C ATOM 941 O ARG A 64 11.236 2.253 2.316 1.00 24.42 O ATOM 942 CB ARG A 64 13.660 3.659 1.033 1.00 50.23 C ATOM 943 CG ARG A 64 14.930 3.002 1.658 1.00 52.20 C ATOM 944 CD ARG A 64 14.751 2.525 3.115 1.00 35.44 C ATOM 945 NE ARG A 64 16.020 2.071 3.713 1.00 34.05 N ATOM 946 CZ ARG A 64 16.139 1.368 4.820 1.00 34.11 C ATOM 947 NH1 ARG A 64 15.104 0.878 5.424 1.00 73.11 N ATOM 948 NH2 ARG A 64 17.310 1.117 5.286 1.00 31.33 N ATOM 0 H ARG A 64 11.186 4.240 0.251 1.00 43.11 H new ATOM 0 HA ARG A 64 13.138 2.050 -0.323 1.00 43.34 H new ATOM 0 HB2 ARG A 64 13.986 4.374 0.278 1.00 50.23 H new ATOM 0 HB3 ARG A 64 13.154 4.228 1.814 1.00 50.23 H new ATOM 0 HG2 ARG A 64 15.223 2.151 1.044 1.00 52.20 H new ATOM 0 HG3 ARG A 64 15.750 3.719 1.622 1.00 52.20 H new ATOM 0 HD2 ARG A 64 14.340 3.338 3.714 1.00 35.44 H new ATOM 0 HD3 ARG A 64 14.027 1.711 3.142 1.00 35.44 H new ATOM 0 HE ARG A 64 16.880 2.323 3.227 1.00 34.05 H new ATOM 0 HH11 ARG A 64 14.170 1.033 5.043 1.00 73.11 H new ATOM 0 HH12 ARG A 64 15.222 0.337 6.280 1.00 73.11 H new ATOM 0 HH21 ARG A 64 18.137 1.462 4.799 1.00 31.33 H new ATOM 0 HH22 ARG A 64 17.412 0.573 6.143 1.00 31.33 H new ATOM 962 N LEU A 65 12.119 0.461 1.248 1.00 4.04 N ATOM 963 CA LEU A 65 11.580 -0.582 2.139 1.00 55.31 C ATOM 964 C LEU A 65 12.195 -0.507 3.563 1.00 34.54 C ATOM 965 O LEU A 65 13.407 -0.644 3.729 1.00 62.44 O ATOM 966 CB LEU A 65 11.839 -1.978 1.502 1.00 12.42 C ATOM 967 CG LEU A 65 11.283 -3.218 2.270 1.00 55.32 C ATOM 968 CD1 LEU A 65 9.790 -3.041 2.583 1.00 24.52 C ATOM 969 CD2 LEU A 65 11.527 -4.525 1.472 1.00 71.14 C ATOM 0 H LEU A 65 12.669 0.081 0.477 1.00 4.04 H new ATOM 0 HA LEU A 65 10.508 -0.419 2.251 1.00 55.31 H new ATOM 0 HB2 LEU A 65 11.410 -1.979 0.500 1.00 12.42 H new ATOM 0 HB3 LEU A 65 12.916 -2.104 1.388 1.00 12.42 H new ATOM 0 HG LEU A 65 11.822 -3.297 3.214 1.00 55.32 H new ATOM 0 HD11 LEU A 65 9.424 -3.917 3.118 1.00 24.52 H new ATOM 0 HD12 LEU A 65 9.650 -2.154 3.201 1.00 24.52 H new ATOM 0 HD13 LEU A 65 9.234 -2.926 1.652 1.00 24.52 H new ATOM 0 HD21 LEU A 65 11.129 -5.372 2.031 1.00 71.14 H new ATOM 0 HD22 LEU A 65 11.026 -4.460 0.506 1.00 71.14 H new ATOM 0 HD23 LEU A 65 12.597 -4.662 1.317 1.00 71.14 H new ATOM 981 N VAL A 66 11.336 -0.294 4.579 1.00 32.21 N ATOM 982 CA VAL A 66 11.754 -0.206 6.001 1.00 3.35 C ATOM 983 C VAL A 66 11.847 -1.614 6.642 1.00 65.23 C ATOM 984 O VAL A 66 12.875 -1.972 7.231 1.00 44.32 O ATOM 985 CB VAL A 66 10.752 0.704 6.817 1.00 63.31 C ATOM 986 CG1 VAL A 66 11.047 0.699 8.341 1.00 40.34 C ATOM 987 CG2 VAL A 66 10.751 2.153 6.263 1.00 43.33 C ATOM 0 H VAL A 66 10.332 -0.177 4.442 1.00 32.21 H new ATOM 0 HA VAL A 66 12.745 0.248 6.033 1.00 3.35 H new ATOM 0 HB VAL A 66 9.758 0.275 6.686 1.00 63.31 H new ATOM 0 HG11 VAL A 66 10.329 1.340 8.853 1.00 40.34 H new ATOM 0 HG12 VAL A 66 10.963 -0.318 8.724 1.00 40.34 H new ATOM 0 HG13 VAL A 66 12.056 1.071 8.517 1.00 40.34 H new ATOM 0 HG21 VAL A 66 10.055 2.762 6.839 1.00 43.33 H new ATOM 0 HG22 VAL A 66 11.753 2.574 6.343 1.00 43.33 H new ATOM 0 HG23 VAL A 66 10.444 2.142 5.217 1.00 43.33 H new ATOM 997 N GLU A 67 10.767 -2.405 6.503 1.00 63.32 N ATOM 998 CA GLU A 67 10.674 -3.768 7.076 1.00 50.30 C ATOM 999 C GLU A 67 9.578 -4.598 6.366 1.00 64.33 C ATOM 1000 O GLU A 67 8.728 -4.052 5.648 1.00 32.53 O ATOM 1001 CB GLU A 67 10.389 -3.706 8.610 1.00 53.15 C ATOM 1002 CG GLU A 67 9.012 -3.131 8.968 1.00 22.11 C ATOM 1003 CD GLU A 67 8.788 -2.957 10.475 1.00 12.14 C ATOM 1004 OE1 GLU A 67 8.293 -3.905 11.123 1.00 42.12 O ATOM 1005 OE2 GLU A 67 9.105 -1.873 11.017 1.00 53.04 O ATOM 0 H GLU A 67 9.932 -2.121 5.991 1.00 63.32 H new ATOM 0 HA GLU A 67 11.634 -4.259 6.917 1.00 50.30 H new ATOM 0 HB2 GLU A 67 10.470 -4.711 9.025 1.00 53.15 H new ATOM 0 HB3 GLU A 67 11.159 -3.100 9.088 1.00 53.15 H new ATOM 0 HG2 GLU A 67 8.894 -2.164 8.478 1.00 22.11 H new ATOM 0 HG3 GLU A 67 8.239 -3.788 8.568 1.00 22.11 H new ATOM 1012 N ARG A 68 9.614 -5.919 6.580 1.00 41.11 N ATOM 1013 CA ARG A 68 8.586 -6.850 6.076 1.00 32.03 C ATOM 1014 C ARG A 68 8.574 -8.136 6.934 1.00 33.01 C ATOM 1015 O ARG A 68 9.611 -8.775 7.118 1.00 63.43 O ATOM 1016 CB ARG A 68 8.843 -7.210 4.589 1.00 30.05 C ATOM 1017 CG ARG A 68 7.743 -8.101 3.948 1.00 64.20 C ATOM 1018 CD ARG A 68 8.230 -8.822 2.685 1.00 51.41 C ATOM 1019 NE ARG A 68 9.411 -9.650 2.991 1.00 32.43 N ATOM 1020 CZ ARG A 68 9.417 -10.948 3.240 1.00 3.33 C ATOM 1021 NH1 ARG A 68 8.330 -11.653 3.197 1.00 0.12 N ATOM 1022 NH2 ARG A 68 10.535 -11.524 3.531 1.00 22.43 N ATOM 0 H ARG A 68 10.357 -6.377 7.108 1.00 41.11 H new ATOM 0 HA ARG A 68 7.616 -6.358 6.146 1.00 32.03 H new ATOM 0 HB2 ARG A 68 8.929 -6.288 4.014 1.00 30.05 H new ATOM 0 HB3 ARG A 68 9.801 -7.724 4.512 1.00 30.05 H new ATOM 0 HG2 ARG A 68 7.408 -8.839 4.677 1.00 64.20 H new ATOM 0 HG3 ARG A 68 6.880 -7.484 3.699 1.00 64.20 H new ATOM 0 HD2 ARG A 68 7.432 -9.448 2.285 1.00 51.41 H new ATOM 0 HD3 ARG A 68 8.479 -8.092 1.915 1.00 51.41 H new ATOM 0 HE ARG A 68 10.313 -9.174 3.013 1.00 32.43 H new ATOM 0 HH11 ARG A 68 7.442 -11.207 2.967 1.00 0.12 H new ATOM 0 HH12 ARG A 68 8.363 -12.653 3.393 1.00 0.12 H new ATOM 0 HH21 ARG A 68 11.396 -10.978 3.566 1.00 22.43 H new ATOM 0 HH22 ARG A 68 10.557 -12.525 3.726 1.00 22.43 H new ATOM 1036 N ASP A 69 7.385 -8.518 7.414 1.00 12.14 N ATOM 1037 CA ASP A 69 7.187 -9.713 8.263 1.00 15.45 C ATOM 1038 C ASP A 69 6.090 -10.624 7.648 1.00 33.14 C ATOM 1039 O ASP A 69 4.955 -10.181 7.430 1.00 3.32 O ATOM 1040 CB ASP A 69 6.815 -9.281 9.708 1.00 2.11 C ATOM 1041 CG ASP A 69 6.832 -10.462 10.699 1.00 72.35 C ATOM 1042 OD1 ASP A 69 5.830 -11.199 10.788 1.00 15.41 O ATOM 1043 OD2 ASP A 69 7.861 -10.679 11.376 1.00 32.54 O ATOM 0 H ASP A 69 6.522 -8.007 7.226 1.00 12.14 H new ATOM 0 HA ASP A 69 8.115 -10.283 8.308 1.00 15.45 H new ATOM 0 HB2 ASP A 69 7.514 -8.516 10.047 1.00 2.11 H new ATOM 0 HB3 ASP A 69 5.824 -8.828 9.705 1.00 2.11 H new ATOM 1048 N GLU A 70 6.443 -11.897 7.394 1.00 62.41 N ATOM 1049 CA GLU A 70 5.534 -12.901 6.786 1.00 3.32 C ATOM 1050 C GLU A 70 4.455 -13.364 7.802 1.00 72.51 C ATOM 1051 O GLU A 70 3.257 -13.391 7.488 1.00 30.05 O ATOM 1052 CB GLU A 70 6.393 -14.104 6.263 1.00 54.24 C ATOM 1053 CG GLU A 70 5.674 -15.139 5.349 1.00 42.05 C ATOM 1054 CD GLU A 70 4.739 -16.126 6.080 1.00 71.41 C ATOM 1055 OE1 GLU A 70 5.247 -17.008 6.809 1.00 2.42 O ATOM 1056 OE2 GLU A 70 3.499 -16.011 5.950 1.00 52.52 O ATOM 0 H GLU A 70 7.371 -12.266 7.604 1.00 62.41 H new ATOM 0 HA GLU A 70 5.000 -12.454 5.947 1.00 3.32 H new ATOM 0 HB2 GLU A 70 7.244 -13.700 5.714 1.00 54.24 H new ATOM 0 HB3 GLU A 70 6.794 -14.635 7.126 1.00 54.24 H new ATOM 0 HG2 GLU A 70 5.092 -14.598 4.603 1.00 42.05 H new ATOM 0 HG3 GLU A 70 6.430 -15.711 4.811 1.00 42.05 H new ATOM 1063 N SER A 71 4.911 -13.676 9.027 1.00 35.40 N ATOM 1064 CA SER A 71 4.087 -14.325 10.086 1.00 53.55 C ATOM 1065 C SER A 71 2.928 -13.424 10.578 1.00 35.21 C ATOM 1066 O SER A 71 1.918 -13.923 11.077 1.00 22.35 O ATOM 1067 CB SER A 71 4.995 -14.716 11.276 1.00 42.13 C ATOM 1068 OG SER A 71 4.281 -15.410 12.290 1.00 34.11 O ATOM 0 H SER A 71 5.869 -13.487 9.322 1.00 35.40 H new ATOM 0 HA SER A 71 3.632 -15.214 9.648 1.00 53.55 H new ATOM 0 HB2 SER A 71 5.813 -15.341 10.917 1.00 42.13 H new ATOM 0 HB3 SER A 71 5.443 -13.817 11.700 1.00 42.13 H new ATOM 0 HG SER A 71 4.892 -15.639 13.021 1.00 34.11 H new ATOM 1074 N ALA A 72 3.095 -12.099 10.434 1.00 74.30 N ATOM 1075 CA ALA A 72 2.072 -11.092 10.810 1.00 73.34 C ATOM 1076 C ALA A 72 1.419 -10.430 9.572 1.00 1.14 C ATOM 1077 O ALA A 72 0.459 -9.665 9.724 1.00 33.23 O ATOM 1078 CB ALA A 72 2.704 -10.020 11.720 1.00 40.32 C ATOM 0 H ALA A 72 3.946 -11.687 10.052 1.00 74.30 H new ATOM 0 HA ALA A 72 1.280 -11.611 11.351 1.00 73.34 H new ATOM 0 HB1 ALA A 72 1.949 -9.283 11.993 1.00 40.32 H new ATOM 0 HB2 ALA A 72 3.093 -10.492 12.622 1.00 40.32 H new ATOM 0 HB3 ALA A 72 3.518 -9.526 11.189 1.00 40.32 H new ATOM 1084 N ARG A 73 1.960 -10.724 8.357 1.00 14.35 N ATOM 1085 CA ARG A 73 1.478 -10.145 7.068 1.00 33.41 C ATOM 1086 C ARG A 73 1.561 -8.601 7.051 1.00 63.13 C ATOM 1087 O ARG A 73 0.657 -7.918 6.573 1.00 43.42 O ATOM 1088 CB ARG A 73 0.045 -10.667 6.742 1.00 3.12 C ATOM 1089 CG ARG A 73 0.025 -12.122 6.211 1.00 10.14 C ATOM 1090 CD ARG A 73 -1.237 -12.903 6.610 1.00 23.21 C ATOM 1091 NE ARG A 73 -1.307 -13.138 8.064 1.00 73.44 N ATOM 1092 CZ ARG A 73 -0.525 -13.956 8.756 1.00 43.43 C ATOM 1093 NH1 ARG A 73 0.473 -14.594 8.208 1.00 50.05 N ATOM 1094 NH2 ARG A 73 -0.728 -14.109 10.021 1.00 44.24 N ATOM 0 H ARG A 73 2.742 -11.369 8.243 1.00 14.35 H new ATOM 0 HA ARG A 73 2.146 -10.485 6.276 1.00 33.41 H new ATOM 0 HB2 ARG A 73 -0.568 -10.608 7.641 1.00 3.12 H new ATOM 0 HB3 ARG A 73 -0.412 -10.012 6.001 1.00 3.12 H new ATOM 0 HG2 ARG A 73 0.103 -12.105 5.124 1.00 10.14 H new ATOM 0 HG3 ARG A 73 0.902 -12.649 6.586 1.00 10.14 H new ATOM 0 HD2 ARG A 73 -2.121 -12.351 6.289 1.00 23.21 H new ATOM 0 HD3 ARG A 73 -1.251 -13.859 6.087 1.00 23.21 H new ATOM 0 HE ARG A 73 -2.020 -12.626 8.584 1.00 73.44 H new ATOM 0 HH11 ARG A 73 0.673 -14.472 7.215 1.00 50.05 H new ATOM 0 HH12 ARG A 73 1.053 -15.215 8.772 1.00 50.05 H new ATOM 0 HH21 ARG A 73 -1.485 -13.603 10.481 1.00 44.24 H new ATOM 0 HH22 ARG A 73 -0.132 -14.736 10.561 1.00 44.24 H new ATOM 1108 N ARG A 74 2.708 -8.083 7.510 1.00 53.02 N ATOM 1109 CA ARG A 74 2.978 -6.636 7.627 1.00 32.11 C ATOM 1110 C ARG A 74 4.115 -6.203 6.669 1.00 43.43 C ATOM 1111 O ARG A 74 5.203 -6.755 6.712 1.00 62.30 O ATOM 1112 CB ARG A 74 3.347 -6.305 9.098 1.00 52.33 C ATOM 1113 CG ARG A 74 3.808 -4.848 9.337 1.00 40.43 C ATOM 1114 CD ARG A 74 4.056 -4.541 10.820 1.00 72.22 C ATOM 1115 NE ARG A 74 2.814 -4.652 11.603 1.00 14.13 N ATOM 1116 CZ ARG A 74 2.712 -4.584 12.907 1.00 41.21 C ATOM 1117 NH1 ARG A 74 3.751 -4.397 13.660 1.00 63.35 N ATOM 1118 NH2 ARG A 74 1.545 -4.693 13.449 1.00 0.33 N ATOM 0 H ARG A 74 3.489 -8.663 7.816 1.00 53.02 H new ATOM 0 HA ARG A 74 2.082 -6.083 7.344 1.00 32.11 H new ATOM 0 HB2 ARG A 74 2.481 -6.506 9.729 1.00 52.33 H new ATOM 0 HB3 ARG A 74 4.140 -6.980 9.420 1.00 52.33 H new ATOM 0 HG2 ARG A 74 4.723 -4.664 8.774 1.00 40.43 H new ATOM 0 HG3 ARG A 74 3.053 -4.164 8.950 1.00 40.43 H new ATOM 0 HD2 ARG A 74 4.802 -5.230 11.217 1.00 72.22 H new ATOM 0 HD3 ARG A 74 4.465 -3.536 10.922 1.00 72.22 H new ATOM 0 HE ARG A 74 1.950 -4.796 11.080 1.00 14.13 H new ATOM 0 HH11 ARG A 74 4.675 -4.299 13.239 1.00 63.35 H new ATOM 0 HH12 ARG A 74 3.644 -4.348 14.673 1.00 63.35 H new ATOM 0 HH21 ARG A 74 0.721 -4.830 12.863 1.00 0.33 H new ATOM 0 HH22 ARG A 74 1.447 -4.642 14.463 1.00 0.33 H new ATOM 1132 N LEU A 75 3.845 -5.214 5.807 1.00 22.34 N ATOM 1133 CA LEU A 75 4.847 -4.629 4.885 1.00 70.20 C ATOM 1134 C LEU A 75 4.967 -3.111 5.129 1.00 24.13 C ATOM 1135 O LEU A 75 4.084 -2.371 4.740 1.00 12.22 O ATOM 1136 CB LEU A 75 4.418 -4.901 3.409 1.00 22.43 C ATOM 1137 CG LEU A 75 5.290 -4.217 2.307 1.00 5.11 C ATOM 1138 CD1 LEU A 75 6.748 -4.683 2.384 1.00 71.35 C ATOM 1139 CD2 LEU A 75 4.705 -4.433 0.901 1.00 14.12 C ATOM 0 H LEU A 75 2.921 -4.789 5.724 1.00 22.34 H new ATOM 0 HA LEU A 75 5.817 -5.091 5.069 1.00 70.20 H new ATOM 0 HB2 LEU A 75 4.432 -5.978 3.240 1.00 22.43 H new ATOM 0 HB3 LEU A 75 3.386 -4.572 3.285 1.00 22.43 H new ATOM 0 HG LEU A 75 5.274 -3.144 2.500 1.00 5.11 H new ATOM 0 HD11 LEU A 75 7.329 -4.190 1.605 1.00 71.35 H new ATOM 0 HD12 LEU A 75 7.160 -4.428 3.360 1.00 71.35 H new ATOM 0 HD13 LEU A 75 6.793 -5.763 2.242 1.00 71.35 H new ATOM 0 HD21 LEU A 75 5.340 -3.942 0.163 1.00 14.12 H new ATOM 0 HD22 LEU A 75 4.658 -5.501 0.687 1.00 14.12 H new ATOM 0 HD23 LEU A 75 3.702 -4.009 0.855 1.00 14.12 H new ATOM 1151 N VAL A 76 6.078 -2.641 5.729 1.00 4.25 N ATOM 1152 CA VAL A 76 6.280 -1.194 6.024 1.00 74.41 C ATOM 1153 C VAL A 76 7.399 -0.606 5.135 1.00 44.02 C ATOM 1154 O VAL A 76 8.460 -1.207 4.973 1.00 13.11 O ATOM 1155 CB VAL A 76 6.628 -0.922 7.536 1.00 24.42 C ATOM 1156 CG1 VAL A 76 6.708 0.596 7.846 1.00 33.55 C ATOM 1157 CG2 VAL A 76 5.632 -1.627 8.485 1.00 31.12 C ATOM 0 H VAL A 76 6.853 -3.236 6.022 1.00 4.25 H new ATOM 0 HA VAL A 76 5.331 -0.704 5.805 1.00 74.41 H new ATOM 0 HB VAL A 76 7.616 -1.347 7.713 1.00 24.42 H new ATOM 0 HG11 VAL A 76 6.950 0.740 8.899 1.00 33.55 H new ATOM 0 HG12 VAL A 76 7.482 1.053 7.230 1.00 33.55 H new ATOM 0 HG13 VAL A 76 5.748 1.063 7.627 1.00 33.55 H new ATOM 0 HG21 VAL A 76 5.904 -1.417 9.519 1.00 31.12 H new ATOM 0 HG22 VAL A 76 4.624 -1.259 8.293 1.00 31.12 H new ATOM 0 HG23 VAL A 76 5.665 -2.703 8.313 1.00 31.12 H new ATOM 1167 N TYR A 77 7.150 0.587 4.588 1.00 34.44 N ATOM 1168 CA TYR A 77 8.101 1.316 3.730 1.00 73.43 C ATOM 1169 C TYR A 77 7.904 2.847 3.863 1.00 52.13 C ATOM 1170 O TYR A 77 7.066 3.309 4.640 1.00 10.32 O ATOM 1171 CB TYR A 77 7.982 0.843 2.255 1.00 50.23 C ATOM 1172 CG TYR A 77 6.564 0.889 1.657 1.00 70.34 C ATOM 1173 CD1 TYR A 77 5.683 -0.191 1.797 1.00 23.05 C ATOM 1174 CD2 TYR A 77 6.111 2.003 0.944 1.00 34.30 C ATOM 1175 CE1 TYR A 77 4.413 -0.158 1.251 1.00 73.11 C ATOM 1176 CE2 TYR A 77 4.845 2.035 0.399 1.00 10.40 C ATOM 1177 CZ TYR A 77 4.000 0.959 0.554 1.00 1.53 C ATOM 1178 OH TYR A 77 2.741 0.996 -0.003 1.00 62.02 O ATOM 0 H TYR A 77 6.271 1.085 4.728 1.00 34.44 H new ATOM 0 HA TYR A 77 9.113 1.091 4.066 1.00 73.43 H new ATOM 0 HB2 TYR A 77 8.637 1.460 1.640 1.00 50.23 H new ATOM 0 HB3 TYR A 77 8.353 -0.180 2.189 1.00 50.23 H new ATOM 0 HD1 TYR A 77 6.002 -1.067 2.342 1.00 23.05 H new ATOM 0 HD2 TYR A 77 6.764 2.854 0.818 1.00 34.30 H new ATOM 0 HE1 TYR A 77 3.749 -1.001 1.369 1.00 73.11 H new ATOM 0 HE2 TYR A 77 4.516 2.905 -0.150 1.00 10.40 H new ATOM 0 HH TYR A 77 2.175 0.320 0.424 1.00 62.02 H new ATOM 1188 N THR A 78 8.715 3.615 3.125 1.00 14.01 N ATOM 1189 CA THR A 78 8.700 5.100 3.152 1.00 4.22 C ATOM 1190 C THR A 78 8.942 5.671 1.739 1.00 72.04 C ATOM 1191 O THR A 78 9.373 4.945 0.845 1.00 24.32 O ATOM 1192 CB THR A 78 9.778 5.664 4.149 1.00 63.33 C ATOM 1193 OG1 THR A 78 9.711 7.100 4.200 1.00 64.12 O ATOM 1194 CG2 THR A 78 11.213 5.232 3.777 1.00 15.15 C ATOM 0 H THR A 78 9.409 3.230 2.484 1.00 14.01 H new ATOM 0 HA THR A 78 7.715 5.413 3.499 1.00 4.22 H new ATOM 0 HB THR A 78 9.548 5.244 5.128 1.00 63.33 H new ATOM 0 HG1 THR A 78 9.040 7.373 4.860 1.00 64.12 H new ATOM 0 HG21 THR A 78 11.917 5.649 4.498 1.00 15.15 H new ATOM 0 HG22 THR A 78 11.281 4.144 3.791 1.00 15.15 H new ATOM 0 HG23 THR A 78 11.456 5.598 2.779 1.00 15.15 H new ATOM 1202 N MET A 79 8.635 6.967 1.539 1.00 3.55 N ATOM 1203 CA MET A 79 8.893 7.689 0.262 1.00 12.33 C ATOM 1204 C MET A 79 10.051 8.724 0.448 1.00 62.11 C ATOM 1205 O MET A 79 9.791 9.872 0.831 1.00 61.25 O ATOM 1206 CB MET A 79 7.576 8.386 -0.195 1.00 25.24 C ATOM 1207 CG MET A 79 6.394 7.423 -0.390 1.00 53.11 C ATOM 1208 SD MET A 79 4.794 8.261 -0.529 1.00 71.24 S ATOM 1209 CE MET A 79 4.921 9.051 -2.119 1.00 54.32 C ATOM 0 H MET A 79 8.200 7.550 2.254 1.00 3.55 H new ATOM 0 HA MET A 79 9.207 6.985 -0.509 1.00 12.33 H new ATOM 0 HB2 MET A 79 7.300 9.139 0.544 1.00 25.24 H new ATOM 0 HB3 MET A 79 7.761 8.912 -1.132 1.00 25.24 H new ATOM 0 HG2 MET A 79 6.564 6.830 -1.288 1.00 53.11 H new ATOM 0 HG3 MET A 79 6.360 6.728 0.449 1.00 53.11 H new ATOM 0 HE1 MET A 79 3.948 9.449 -2.406 1.00 54.32 H new ATOM 0 HE2 MET A 79 5.644 9.864 -2.064 1.00 54.32 H new ATOM 0 HE3 MET A 79 5.249 8.323 -2.862 1.00 54.32 H new ATOM 1219 N PRO A 80 11.359 8.313 0.246 1.00 24.13 N ATOM 1220 CA PRO A 80 12.540 9.227 0.355 1.00 12.23 C ATOM 1221 C PRO A 80 12.526 10.389 -0.677 1.00 3.32 C ATOM 1222 O PRO A 80 12.979 11.501 -0.377 1.00 23.24 O ATOM 1223 CB PRO A 80 13.757 8.277 0.126 1.00 35.14 C ATOM 1224 CG PRO A 80 13.192 7.109 -0.615 1.00 51.30 C ATOM 1225 CD PRO A 80 11.802 6.930 -0.053 1.00 5.43 C ATOM 0 HA PRO A 80 12.560 9.740 1.317 1.00 12.23 H new ATOM 0 HB2 PRO A 80 14.541 8.769 -0.449 1.00 35.14 H new ATOM 0 HB3 PRO A 80 14.202 7.968 1.072 1.00 35.14 H new ATOM 0 HG2 PRO A 80 13.163 7.298 -1.688 1.00 51.30 H new ATOM 0 HG3 PRO A 80 13.797 6.215 -0.465 1.00 51.30 H new ATOM 0 HD2 PRO A 80 11.140 6.445 -0.770 1.00 5.43 H new ATOM 0 HD3 PRO A 80 11.810 6.310 0.844 1.00 5.43 H new ATOM 1233 N ASP A 81 12.000 10.120 -1.891 1.00 21.01 N ATOM 1234 CA ASP A 81 11.845 11.147 -2.950 1.00 24.21 C ATOM 1235 C ASP A 81 10.363 11.192 -3.426 1.00 43.25 C ATOM 1236 O ASP A 81 10.000 10.536 -4.413 1.00 51.35 O ATOM 1237 CB ASP A 81 12.831 10.857 -4.122 1.00 53.02 C ATOM 1238 CG ASP A 81 12.922 12.008 -5.144 1.00 52.21 C ATOM 1239 OD1 ASP A 81 12.141 12.026 -6.123 1.00 64.41 O ATOM 1240 OD2 ASP A 81 13.761 12.913 -4.958 1.00 2.15 O ATOM 0 H ASP A 81 11.673 9.194 -2.166 1.00 21.01 H new ATOM 0 HA ASP A 81 12.094 12.131 -2.552 1.00 24.21 H new ATOM 0 HB2 ASP A 81 13.823 10.664 -3.713 1.00 53.02 H new ATOM 0 HB3 ASP A 81 12.516 9.949 -4.636 1.00 53.02 H new ATOM 1245 N PRO A 82 9.462 11.914 -2.677 1.00 40.12 N ATOM 1246 CA PRO A 82 8.035 12.052 -3.043 1.00 32.25 C ATOM 1247 C PRO A 82 7.715 13.342 -3.868 1.00 61.33 C ATOM 1248 O PRO A 82 8.360 14.386 -3.681 1.00 62.34 O ATOM 1249 CB PRO A 82 7.370 12.096 -1.651 1.00 21.51 C ATOM 1250 CG PRO A 82 8.357 12.829 -0.775 1.00 42.50 C ATOM 1251 CD PRO A 82 9.739 12.611 -1.387 1.00 24.34 C ATOM 0 HA PRO A 82 7.689 11.252 -3.698 1.00 32.25 H new ATOM 0 HB2 PRO A 82 6.412 12.614 -1.687 1.00 21.51 H new ATOM 0 HB3 PRO A 82 7.176 11.092 -1.274 1.00 21.51 H new ATOM 0 HG2 PRO A 82 8.118 13.891 -0.729 1.00 42.50 H new ATOM 0 HG3 PRO A 82 8.323 12.450 0.246 1.00 42.50 H new ATOM 0 HD2 PRO A 82 10.257 13.556 -1.548 1.00 24.34 H new ATOM 0 HD3 PRO A 82 10.372 12.008 -0.736 1.00 24.34 H new ATOM 1259 N PRO A 83 6.708 13.293 -4.808 1.00 50.43 N ATOM 1260 CA PRO A 83 6.197 14.512 -5.495 1.00 24.23 C ATOM 1261 C PRO A 83 5.175 15.309 -4.629 1.00 13.01 C ATOM 1262 O PRO A 83 4.671 16.354 -5.048 1.00 44.51 O ATOM 1263 CB PRO A 83 5.538 13.923 -6.763 1.00 41.32 C ATOM 1264 CG PRO A 83 5.009 12.592 -6.314 1.00 34.45 C ATOM 1265 CD PRO A 83 6.025 12.062 -5.312 1.00 62.11 C ATOM 0 HA PRO A 83 6.980 15.241 -5.703 1.00 24.23 H new ATOM 0 HB2 PRO A 83 4.739 14.566 -7.133 1.00 41.32 H new ATOM 0 HB3 PRO A 83 6.259 13.813 -7.573 1.00 41.32 H new ATOM 0 HG2 PRO A 83 4.025 12.696 -5.856 1.00 34.45 H new ATOM 0 HG3 PRO A 83 4.898 11.910 -7.157 1.00 34.45 H new ATOM 0 HD2 PRO A 83 5.541 11.514 -4.504 1.00 62.11 H new ATOM 0 HD3 PRO A 83 6.731 11.378 -5.783 1.00 62.11 H new ATOM 1273 N PHE A 84 4.867 14.775 -3.430 1.00 4.52 N ATOM 1274 CA PHE A 84 3.935 15.390 -2.460 1.00 42.15 C ATOM 1275 C PHE A 84 4.746 16.131 -1.362 1.00 53.14 C ATOM 1276 O PHE A 84 5.742 15.573 -0.878 1.00 73.04 O ATOM 1277 CB PHE A 84 3.048 14.285 -1.822 1.00 24.45 C ATOM 1278 CG PHE A 84 2.402 13.345 -2.844 1.00 12.35 C ATOM 1279 CD1 PHE A 84 1.342 13.773 -3.643 1.00 60.43 C ATOM 1280 CD2 PHE A 84 2.860 12.036 -3.014 1.00 64.11 C ATOM 1281 CE1 PHE A 84 0.761 12.927 -4.574 1.00 62.23 C ATOM 1282 CE2 PHE A 84 2.279 11.192 -3.945 1.00 65.24 C ATOM 1283 CZ PHE A 84 1.230 11.636 -4.725 1.00 22.41 C ATOM 0 H PHE A 84 5.263 13.894 -3.103 1.00 4.52 H new ATOM 0 HA PHE A 84 3.293 16.108 -2.970 1.00 42.15 H new ATOM 0 HB2 PHE A 84 3.655 13.697 -1.134 1.00 24.45 H new ATOM 0 HB3 PHE A 84 2.264 14.758 -1.231 1.00 24.45 H new ATOM 0 HD1 PHE A 84 0.968 14.780 -3.534 1.00 60.43 H new ATOM 0 HD2 PHE A 84 3.680 11.677 -2.410 1.00 64.11 H new ATOM 0 HE1 PHE A 84 -0.060 13.277 -5.183 1.00 62.23 H new ATOM 0 HE2 PHE A 84 2.647 10.183 -4.061 1.00 65.24 H new ATOM 0 HZ PHE A 84 0.777 10.977 -5.451 1.00 22.41 H new ATOM 1293 N PRO A 85 4.354 17.393 -0.964 1.00 11.42 N ATOM 1294 CA PRO A 85 5.088 18.183 0.071 1.00 51.12 C ATOM 1295 C PRO A 85 4.954 17.574 1.497 1.00 41.03 C ATOM 1296 O PRO A 85 4.090 17.978 2.287 1.00 60.32 O ATOM 1297 CB PRO A 85 4.450 19.608 -0.021 1.00 14.40 C ATOM 1298 CG PRO A 85 3.651 19.595 -1.292 1.00 50.32 C ATOM 1299 CD PRO A 85 3.200 18.165 -1.486 1.00 24.12 C ATOM 0 HA PRO A 85 6.163 18.193 -0.109 1.00 51.12 H new ATOM 0 HB2 PRO A 85 3.816 19.813 0.842 1.00 14.40 H new ATOM 0 HB3 PRO A 85 5.216 20.383 -0.045 1.00 14.40 H new ATOM 0 HG2 PRO A 85 2.796 20.268 -1.222 1.00 50.32 H new ATOM 0 HG3 PRO A 85 4.254 19.932 -2.135 1.00 50.32 H new ATOM 0 HD2 PRO A 85 2.285 17.950 -0.935 1.00 24.12 H new ATOM 0 HD3 PRO A 85 3.002 17.940 -2.534 1.00 24.12 H new ATOM 1307 N ILE A 86 5.794 16.553 1.783 1.00 24.43 N ATOM 1308 CA ILE A 86 5.780 15.792 3.058 1.00 30.12 C ATOM 1309 C ILE A 86 7.231 15.599 3.588 1.00 24.32 C ATOM 1310 O ILE A 86 8.163 15.395 2.795 1.00 34.50 O ATOM 1311 CB ILE A 86 5.057 14.388 2.877 1.00 55.11 C ATOM 1312 CG1 ILE A 86 5.809 13.470 1.851 1.00 51.12 C ATOM 1313 CG2 ILE A 86 3.579 14.575 2.453 1.00 51.25 C ATOM 1314 CD1 ILE A 86 5.101 12.164 1.499 1.00 63.44 C ATOM 0 H ILE A 86 6.508 16.230 1.130 1.00 24.43 H new ATOM 0 HA ILE A 86 5.215 16.367 3.792 1.00 30.12 H new ATOM 0 HB ILE A 86 5.081 13.889 3.846 1.00 55.11 H new ATOM 0 HG12 ILE A 86 5.969 14.035 0.933 1.00 51.12 H new ATOM 0 HG13 ILE A 86 6.793 13.233 2.255 1.00 51.12 H new ATOM 0 HG21 ILE A 86 3.108 13.599 2.336 1.00 51.25 H new ATOM 0 HG22 ILE A 86 3.050 15.144 3.218 1.00 51.25 H new ATOM 0 HG23 ILE A 86 3.537 15.114 1.506 1.00 51.25 H new ATOM 0 HD11 ILE A 86 5.704 11.605 0.784 1.00 63.44 H new ATOM 0 HD12 ILE A 86 4.965 11.569 2.402 1.00 63.44 H new ATOM 0 HD13 ILE A 86 4.128 12.384 1.060 1.00 63.44 H new ATOM 1326 N THR A 87 7.428 15.689 4.923 1.00 3.11 N ATOM 1327 CA THR A 87 8.771 15.513 5.546 1.00 54.34 C ATOM 1328 C THR A 87 9.083 14.013 5.770 1.00 63.31 C ATOM 1329 O THR A 87 9.866 13.419 5.017 1.00 43.35 O ATOM 1330 CB THR A 87 8.912 16.308 6.895 1.00 2.45 C ATOM 1331 OG1 THR A 87 8.535 17.682 6.695 1.00 74.23 O ATOM 1332 CG2 THR A 87 10.348 16.257 7.464 1.00 42.52 C ATOM 0 H THR A 87 6.682 15.881 5.591 1.00 3.11 H new ATOM 0 HA THR A 87 9.499 15.925 4.847 1.00 54.34 H new ATOM 0 HB THR A 87 8.249 15.830 7.617 1.00 2.45 H new ATOM 0 HG1 THR A 87 7.796 17.909 7.297 1.00 74.23 H new ATOM 0 HG21 THR A 87 10.391 16.821 8.396 1.00 42.52 H new ATOM 0 HG22 THR A 87 10.627 15.221 7.654 1.00 42.52 H new ATOM 0 HG23 THR A 87 11.040 16.693 6.744 1.00 42.52 H new ATOM 1340 N ASN A 88 8.462 13.397 6.799 1.00 62.42 N ATOM 1341 CA ASN A 88 8.635 11.953 7.082 1.00 72.22 C ATOM 1342 C ASN A 88 7.350 11.172 6.714 1.00 53.41 C ATOM 1343 O ASN A 88 6.297 11.348 7.331 1.00 40.13 O ATOM 1344 CB ASN A 88 9.050 11.696 8.561 1.00 13.04 C ATOM 1345 CG ASN A 88 8.081 12.245 9.614 1.00 42.22 C ATOM 1346 OD1 ASN A 88 7.532 13.321 9.465 1.00 60.24 O ATOM 1347 ND2 ASN A 88 7.835 11.492 10.670 1.00 40.13 N ATOM 0 H ASN A 88 7.837 13.875 7.448 1.00 62.42 H new ATOM 0 HA ASN A 88 9.450 11.587 6.458 1.00 72.22 H new ATOM 0 HB2 ASN A 88 9.154 10.621 8.711 1.00 13.04 H new ATOM 0 HB3 ASN A 88 10.032 12.138 8.728 1.00 13.04 H new ATOM 0 HD21 ASN A 88 7.174 11.809 11.380 1.00 40.13 H new ATOM 0 HD22 ASN A 88 8.306 10.593 10.776 1.00 40.13 H new ATOM 1354 N HIS A 89 7.448 10.352 5.659 1.00 2.41 N ATOM 1355 CA HIS A 89 6.368 9.437 5.226 1.00 31.41 C ATOM 1356 C HIS A 89 6.523 8.023 5.855 1.00 71.14 C ATOM 1357 O HIS A 89 7.634 7.594 6.186 1.00 10.22 O ATOM 1358 CB HIS A 89 6.370 9.331 3.680 1.00 14.30 C ATOM 1359 CG HIS A 89 5.238 8.496 3.135 1.00 75.24 C ATOM 1360 ND1 HIS A 89 5.415 7.179 2.801 1.00 1.33 N ATOM 1361 CD2 HIS A 89 3.949 8.839 2.907 1.00 12.51 C ATOM 1362 CE1 HIS A 89 4.236 6.752 2.388 1.00 3.25 C ATOM 1363 NE2 HIS A 89 3.319 7.722 2.441 1.00 43.32 N ATOM 0 H HIS A 89 8.282 10.300 5.074 1.00 2.41 H new ATOM 0 HA HIS A 89 5.419 9.848 5.570 1.00 31.41 H new ATOM 0 HB2 HIS A 89 6.310 10.333 3.255 1.00 14.30 H new ATOM 0 HB3 HIS A 89 7.318 8.902 3.354 1.00 14.30 H new ATOM 0 HD1 HIS A 89 6.279 6.640 2.859 1.00 1.33 H new ATOM 0 HD2 HIS A 89 3.504 9.811 3.064 1.00 12.51 H new ATOM 0 HE1 HIS A 89 4.038 5.746 2.050 1.00 3.25 H new ATOM 1371 N ARG A 90 5.387 7.323 6.037 1.00 20.51 N ATOM 1372 CA ARG A 90 5.358 5.902 6.453 1.00 13.41 C ATOM 1373 C ARG A 90 4.092 5.211 5.871 1.00 22.15 C ATOM 1374 O ARG A 90 2.996 5.704 6.079 1.00 43.31 O ATOM 1375 CB ARG A 90 5.330 5.814 8.009 1.00 55.30 C ATOM 1376 CG ARG A 90 5.724 4.434 8.584 1.00 72.10 C ATOM 1377 CD ARG A 90 7.253 4.231 8.628 1.00 53.33 C ATOM 1378 NE ARG A 90 7.901 5.207 9.531 1.00 1.15 N ATOM 1379 CZ ARG A 90 9.199 5.342 9.722 1.00 64.33 C ATOM 1380 NH1 ARG A 90 10.051 4.588 9.103 1.00 32.14 N ATOM 1381 NH2 ARG A 90 9.632 6.239 10.547 1.00 21.41 N ATOM 0 H ARG A 90 4.460 7.725 5.900 1.00 20.51 H new ATOM 0 HA ARG A 90 6.249 5.399 6.077 1.00 13.41 H new ATOM 0 HB2 ARG A 90 6.005 6.568 8.414 1.00 55.30 H new ATOM 0 HB3 ARG A 90 4.327 6.064 8.356 1.00 55.30 H new ATOM 0 HG2 ARG A 90 5.318 4.333 9.590 1.00 72.10 H new ATOM 0 HG3 ARG A 90 5.273 3.648 7.978 1.00 72.10 H new ATOM 0 HD2 ARG A 90 7.478 3.218 8.963 1.00 53.33 H new ATOM 0 HD3 ARG A 90 7.664 4.333 7.624 1.00 53.33 H new ATOM 0 HE ARG A 90 7.288 5.833 10.054 1.00 1.15 H new ATOM 0 HH11 ARG A 90 9.722 3.873 8.454 1.00 32.14 H new ATOM 0 HH12 ARG A 90 11.051 4.709 9.265 1.00 32.14 H new ATOM 0 HH21 ARG A 90 8.971 6.836 11.044 1.00 21.41 H new ATOM 0 HH22 ARG A 90 10.634 6.350 10.700 1.00 21.41 H new ATOM 1395 N ALA A 91 4.240 4.078 5.151 1.00 75.44 N ATOM 1396 CA ALA A 91 3.082 3.309 4.595 1.00 13.23 C ATOM 1397 C ALA A 91 3.203 1.796 4.878 1.00 55.41 C ATOM 1398 O ALA A 91 4.299 1.244 4.841 1.00 13.43 O ATOM 1399 CB ALA A 91 2.927 3.557 3.087 1.00 11.13 C ATOM 0 H ALA A 91 5.148 3.667 4.935 1.00 75.44 H new ATOM 0 HA ALA A 91 2.188 3.672 5.103 1.00 13.23 H new ATOM 0 HB1 ALA A 91 2.079 2.986 2.710 1.00 11.13 H new ATOM 0 HB2 ALA A 91 2.758 4.619 2.908 1.00 11.13 H new ATOM 0 HB3 ALA A 91 3.834 3.242 2.571 1.00 11.13 H new ATOM 1405 N VAL A 92 2.057 1.133 5.153 1.00 64.32 N ATOM 1406 CA VAL A 92 2.022 -0.304 5.522 1.00 5.24 C ATOM 1407 C VAL A 92 0.867 -1.087 4.827 1.00 34.51 C ATOM 1408 O VAL A 92 -0.228 -0.558 4.645 1.00 12.54 O ATOM 1409 CB VAL A 92 1.941 -0.470 7.091 1.00 42.11 C ATOM 1410 CG1 VAL A 92 0.669 0.194 7.683 1.00 11.42 C ATOM 1411 CG2 VAL A 92 2.054 -1.955 7.518 1.00 21.51 C ATOM 0 H VAL A 92 1.137 1.573 5.126 1.00 64.32 H new ATOM 0 HA VAL A 92 2.953 -0.741 5.160 1.00 5.24 H new ATOM 0 HB VAL A 92 2.800 0.056 7.507 1.00 42.11 H new ATOM 0 HG11 VAL A 92 0.655 0.055 8.764 1.00 11.42 H new ATOM 0 HG12 VAL A 92 0.675 1.260 7.454 1.00 11.42 H new ATOM 0 HG13 VAL A 92 -0.218 -0.266 7.247 1.00 11.42 H new ATOM 0 HG21 VAL A 92 1.994 -2.027 8.604 1.00 21.51 H new ATOM 0 HG22 VAL A 92 1.240 -2.525 7.071 1.00 21.51 H new ATOM 0 HG23 VAL A 92 3.008 -2.359 7.180 1.00 21.51 H new ATOM 1421 N LEU A 93 1.156 -2.353 4.432 1.00 50.04 N ATOM 1422 CA LEU A 93 0.152 -3.349 3.962 1.00 50.12 C ATOM 1423 C LEU A 93 -0.020 -4.442 5.044 1.00 63.12 C ATOM 1424 O LEU A 93 0.939 -5.151 5.352 1.00 60.14 O ATOM 1425 CB LEU A 93 0.594 -4.018 2.606 1.00 11.25 C ATOM 1426 CG LEU A 93 0.151 -3.320 1.280 1.00 73.45 C ATOM 1427 CD1 LEU A 93 -1.382 -3.210 1.191 1.00 4.44 C ATOM 1428 CD2 LEU A 93 0.830 -1.956 1.093 1.00 22.33 C ATOM 0 H LEU A 93 2.108 -2.719 4.430 1.00 50.04 H new ATOM 0 HA LEU A 93 -0.792 -2.831 3.790 1.00 50.12 H new ATOM 0 HB2 LEU A 93 1.682 -4.086 2.603 1.00 11.25 H new ATOM 0 HB3 LEU A 93 0.211 -5.038 2.594 1.00 11.25 H new ATOM 0 HG LEU A 93 0.483 -3.952 0.456 1.00 73.45 H new ATOM 0 HD11 LEU A 93 -1.658 -2.720 0.257 1.00 4.44 H new ATOM 0 HD12 LEU A 93 -1.821 -4.207 1.221 1.00 4.44 H new ATOM 0 HD13 LEU A 93 -1.754 -2.625 2.032 1.00 4.44 H new ATOM 0 HD21 LEU A 93 0.493 -1.507 0.159 1.00 22.33 H new ATOM 0 HD22 LEU A 93 0.568 -1.302 1.925 1.00 22.33 H new ATOM 0 HD23 LEU A 93 1.911 -2.089 1.062 1.00 22.33 H new ATOM 1440 N GLU A 94 -1.230 -4.571 5.623 1.00 22.01 N ATOM 1441 CA GLU A 94 -1.532 -5.623 6.633 1.00 40.14 C ATOM 1442 C GLU A 94 -2.787 -6.431 6.244 1.00 22.22 C ATOM 1443 O GLU A 94 -3.902 -5.900 6.230 1.00 24.44 O ATOM 1444 CB GLU A 94 -1.689 -5.007 8.054 1.00 14.20 C ATOM 1445 CG GLU A 94 -0.390 -4.407 8.621 1.00 10.43 C ATOM 1446 CD GLU A 94 -0.512 -3.945 10.079 1.00 4.21 C ATOM 1447 OE1 GLU A 94 -0.964 -2.805 10.322 1.00 64.32 O ATOM 1448 OE2 GLU A 94 -0.154 -4.723 10.995 1.00 32.42 O ATOM 0 H GLU A 94 -2.020 -3.962 5.413 1.00 22.01 H new ATOM 0 HA GLU A 94 -0.686 -6.310 6.654 1.00 40.14 H new ATOM 0 HB2 GLU A 94 -2.452 -4.229 8.020 1.00 14.20 H new ATOM 0 HB3 GLU A 94 -2.049 -5.778 8.735 1.00 14.20 H new ATOM 0 HG2 GLU A 94 0.405 -5.149 8.549 1.00 10.43 H new ATOM 0 HG3 GLU A 94 -0.091 -3.560 8.004 1.00 10.43 H new ATOM 1455 N VAL A 95 -2.594 -7.731 5.942 1.00 74.10 N ATOM 1456 CA VAL A 95 -3.697 -8.631 5.554 1.00 12.54 C ATOM 1457 C VAL A 95 -4.291 -9.308 6.818 1.00 73.43 C ATOM 1458 O VAL A 95 -3.642 -10.143 7.460 1.00 62.31 O ATOM 1459 CB VAL A 95 -3.221 -9.728 4.528 1.00 62.15 C ATOM 1460 CG1 VAL A 95 -4.423 -10.530 3.971 1.00 43.13 C ATOM 1461 CG2 VAL A 95 -2.383 -9.109 3.379 1.00 65.33 C ATOM 0 H VAL A 95 -1.679 -8.182 5.960 1.00 74.10 H new ATOM 0 HA VAL A 95 -4.464 -8.031 5.064 1.00 12.54 H new ATOM 0 HB VAL A 95 -2.575 -10.421 5.067 1.00 62.15 H new ATOM 0 HG11 VAL A 95 -4.065 -11.280 3.266 1.00 43.13 H new ATOM 0 HG12 VAL A 95 -4.943 -11.023 4.792 1.00 43.13 H new ATOM 0 HG13 VAL A 95 -5.109 -9.852 3.463 1.00 43.13 H new ATOM 0 HG21 VAL A 95 -2.072 -9.895 2.691 1.00 65.33 H new ATOM 0 HG22 VAL A 95 -2.986 -8.376 2.843 1.00 65.33 H new ATOM 0 HG23 VAL A 95 -1.501 -8.621 3.794 1.00 65.33 H new ATOM 1471 N VAL A 96 -5.534 -8.933 7.155 1.00 54.24 N ATOM 1472 CA VAL A 96 -6.236 -9.386 8.378 1.00 72.05 C ATOM 1473 C VAL A 96 -7.235 -10.529 8.034 1.00 1.21 C ATOM 1474 O VAL A 96 -8.246 -10.276 7.375 1.00 0.22 O ATOM 1475 CB VAL A 96 -6.996 -8.172 9.050 1.00 43.50 C ATOM 1476 CG1 VAL A 96 -7.720 -8.587 10.357 1.00 25.12 C ATOM 1477 CG2 VAL A 96 -6.028 -6.983 9.294 1.00 32.22 C ATOM 0 H VAL A 96 -6.092 -8.299 6.583 1.00 54.24 H new ATOM 0 HA VAL A 96 -5.500 -9.771 9.084 1.00 72.05 H new ATOM 0 HB VAL A 96 -7.768 -7.846 8.353 1.00 43.50 H new ATOM 0 HG11 VAL A 96 -8.228 -7.721 10.782 1.00 25.12 H new ATOM 0 HG12 VAL A 96 -8.452 -9.364 10.137 1.00 25.12 H new ATOM 0 HG13 VAL A 96 -6.991 -8.967 11.072 1.00 25.12 H new ATOM 0 HG21 VAL A 96 -6.572 -6.160 9.757 1.00 32.22 H new ATOM 0 HG22 VAL A 96 -5.221 -7.301 9.954 1.00 32.22 H new ATOM 0 HG23 VAL A 96 -5.610 -6.653 8.343 1.00 32.22 H new ATOM 1487 N PRO A 97 -6.969 -11.808 8.465 1.00 20.21 N ATOM 1488 CA PRO A 97 -7.798 -12.984 8.063 1.00 54.22 C ATOM 1489 C PRO A 97 -9.260 -12.965 8.605 1.00 1.31 C ATOM 1490 O PRO A 97 -9.497 -13.052 9.810 1.00 32.10 O ATOM 1491 CB PRO A 97 -7.000 -14.191 8.626 1.00 64.22 C ATOM 1492 CG PRO A 97 -6.212 -13.622 9.769 1.00 43.22 C ATOM 1493 CD PRO A 97 -5.846 -12.211 9.355 1.00 35.45 C ATOM 0 HA PRO A 97 -7.943 -13.008 6.983 1.00 54.22 H new ATOM 0 HB2 PRO A 97 -7.667 -14.986 8.961 1.00 64.22 H new ATOM 0 HB3 PRO A 97 -6.345 -14.622 7.868 1.00 64.22 H new ATOM 0 HG2 PRO A 97 -6.800 -13.620 10.687 1.00 43.22 H new ATOM 0 HG3 PRO A 97 -5.319 -14.217 9.963 1.00 43.22 H new ATOM 0 HD2 PRO A 97 -5.760 -11.549 10.217 1.00 35.45 H new ATOM 0 HD3 PRO A 97 -4.890 -12.181 8.833 1.00 35.45 H new ATOM 1501 N ARG A 98 -10.230 -12.854 7.673 1.00 64.04 N ATOM 1502 CA ARG A 98 -11.678 -13.058 7.946 1.00 63.33 C ATOM 1503 C ARG A 98 -12.096 -14.536 7.703 1.00 43.44 C ATOM 1504 O ARG A 98 -13.292 -14.852 7.657 1.00 21.24 O ATOM 1505 CB ARG A 98 -12.522 -12.071 7.068 1.00 42.43 C ATOM 1506 CG ARG A 98 -12.649 -10.635 7.650 1.00 14.35 C ATOM 1507 CD ARG A 98 -13.821 -10.498 8.658 1.00 30.05 C ATOM 1508 NE ARG A 98 -13.815 -11.530 9.722 1.00 54.04 N ATOM 1509 CZ ARG A 98 -14.836 -12.313 10.041 1.00 73.43 C ATOM 1510 NH1 ARG A 98 -15.986 -12.213 9.444 1.00 23.10 N ATOM 1511 NH2 ARG A 98 -14.689 -13.198 10.961 1.00 54.13 N ATOM 0 H ARG A 98 -10.034 -12.618 6.700 1.00 64.04 H new ATOM 0 HA ARG A 98 -11.872 -12.843 8.997 1.00 63.33 H new ATOM 0 HB2 ARG A 98 -12.070 -12.009 6.078 1.00 42.43 H new ATOM 0 HB3 ARG A 98 -13.522 -12.486 6.937 1.00 42.43 H new ATOM 0 HG2 ARG A 98 -11.716 -10.364 8.145 1.00 14.35 H new ATOM 0 HG3 ARG A 98 -12.793 -9.928 6.833 1.00 14.35 H new ATOM 0 HD2 ARG A 98 -13.778 -9.512 9.120 1.00 30.05 H new ATOM 0 HD3 ARG A 98 -14.764 -10.554 8.115 1.00 30.05 H new ATOM 0 HE ARG A 98 -12.952 -11.648 10.254 1.00 54.04 H new ATOM 0 HH11 ARG A 98 -16.120 -11.518 8.709 1.00 23.10 H new ATOM 0 HH12 ARG A 98 -16.754 -12.829 9.710 1.00 23.10 H new ATOM 0 HH21 ARG A 98 -13.793 -13.293 11.439 1.00 54.13 H new ATOM 0 HH22 ARG A 98 -15.469 -13.805 11.214 1.00 54.13 H new ATOM 1525 N ASP A 99 -11.073 -15.417 7.543 1.00 73.42 N ATOM 1526 CA ASP A 99 -11.216 -16.892 7.416 1.00 40.30 C ATOM 1527 C ASP A 99 -11.911 -17.332 6.092 1.00 40.13 C ATOM 1528 O ASP A 99 -12.350 -16.494 5.287 1.00 31.20 O ATOM 1529 CB ASP A 99 -11.925 -17.502 8.665 1.00 54.43 C ATOM 1530 CG ASP A 99 -11.188 -17.185 9.986 1.00 20.14 C ATOM 1531 OD1 ASP A 99 -10.284 -17.956 10.378 1.00 54.21 O ATOM 1532 OD2 ASP A 99 -11.503 -16.155 10.632 1.00 62.45 O ATOM 0 H ASP A 99 -10.101 -15.113 7.498 1.00 73.42 H new ATOM 0 HA ASP A 99 -10.203 -17.293 7.370 1.00 40.30 H new ATOM 0 HB2 ASP A 99 -12.944 -17.119 8.722 1.00 54.43 H new ATOM 0 HB3 ASP A 99 -11.997 -18.583 8.545 1.00 54.43 H new ATOM 1537 N ASP A 100 -11.973 -18.671 5.887 1.00 12.34 N ATOM 1538 CA ASP A 100 -12.596 -19.333 4.706 1.00 53.10 C ATOM 1539 C ASP A 100 -11.917 -18.914 3.361 1.00 70.35 C ATOM 1540 O ASP A 100 -10.987 -19.580 2.895 1.00 13.23 O ATOM 1541 CB ASP A 100 -14.137 -19.108 4.670 1.00 60.35 C ATOM 1542 CG ASP A 100 -14.845 -19.506 5.979 1.00 30.14 C ATOM 1543 OD1 ASP A 100 -14.975 -20.720 6.253 1.00 3.33 O ATOM 1544 OD2 ASP A 100 -15.280 -18.610 6.738 1.00 61.42 O ATOM 0 H ASP A 100 -11.583 -19.339 6.552 1.00 12.34 H new ATOM 0 HA ASP A 100 -12.425 -20.403 4.819 1.00 53.10 H new ATOM 0 HB2 ASP A 100 -14.338 -18.057 4.462 1.00 60.35 H new ATOM 0 HB3 ASP A 100 -14.561 -19.683 3.847 1.00 60.35 H new ATOM 1549 N ARG A 101 -12.382 -17.793 2.764 1.00 52.15 N ATOM 1550 CA ARG A 101 -11.775 -17.202 1.548 1.00 42.25 C ATOM 1551 C ARG A 101 -12.047 -15.678 1.508 1.00 12.50 C ATOM 1552 O ARG A 101 -12.377 -15.105 0.469 1.00 52.31 O ATOM 1553 CB ARG A 101 -12.280 -17.919 0.255 1.00 14.55 C ATOM 1554 CG ARG A 101 -13.795 -17.783 -0.048 1.00 21.31 C ATOM 1555 CD ARG A 101 -14.191 -18.447 -1.381 1.00 71.40 C ATOM 1556 NE ARG A 101 -15.614 -18.232 -1.713 1.00 0.35 N ATOM 1557 CZ ARG A 101 -16.476 -19.168 -2.051 1.00 10.12 C ATOM 1558 NH1 ARG A 101 -16.137 -20.418 -2.110 1.00 71.10 N ATOM 1559 NH2 ARG A 101 -17.684 -18.836 -2.330 1.00 30.51 N ATOM 0 H ARG A 101 -13.188 -17.273 3.111 1.00 52.15 H new ATOM 0 HA ARG A 101 -10.696 -17.352 1.587 1.00 42.25 H new ATOM 0 HB2 ARG A 101 -11.723 -17.527 -0.596 1.00 14.55 H new ATOM 0 HB3 ARG A 101 -12.039 -18.979 0.333 1.00 14.55 H new ATOM 0 HG2 ARG A 101 -14.367 -18.234 0.763 1.00 21.31 H new ATOM 0 HG3 ARG A 101 -14.063 -16.727 -0.078 1.00 21.31 H new ATOM 0 HD2 ARG A 101 -13.569 -18.048 -2.182 1.00 71.40 H new ATOM 0 HD3 ARG A 101 -13.991 -19.517 -1.325 1.00 71.40 H new ATOM 0 HE ARG A 101 -15.960 -17.273 -1.677 1.00 0.35 H new ATOM 0 HH11 ARG A 101 -15.181 -20.698 -1.891 1.00 71.10 H new ATOM 0 HH12 ARG A 101 -16.826 -21.121 -2.375 1.00 71.10 H new ATOM 0 HH21 ARG A 101 -17.966 -17.857 -2.288 1.00 30.51 H new ATOM 0 HH22 ARG A 101 -18.362 -19.551 -2.593 1.00 30.51 H new ATOM 1573 N HIS A 102 -11.892 -15.018 2.669 1.00 55.31 N ATOM 1574 CA HIS A 102 -12.056 -13.550 2.802 1.00 64.41 C ATOM 1575 C HIS A 102 -11.014 -13.003 3.796 1.00 13.44 C ATOM 1576 O HIS A 102 -10.733 -13.644 4.810 1.00 31.11 O ATOM 1577 CB HIS A 102 -13.491 -13.173 3.264 1.00 15.34 C ATOM 1578 CG HIS A 102 -14.576 -13.566 2.295 1.00 33.11 C ATOM 1579 ND1 HIS A 102 -15.228 -14.779 2.350 1.00 63.42 N ATOM 1580 CD2 HIS A 102 -15.104 -12.915 1.228 1.00 12.01 C ATOM 1581 CE1 HIS A 102 -16.095 -14.861 1.368 1.00 71.44 C ATOM 1582 NE2 HIS A 102 -16.048 -13.744 0.674 1.00 74.32 N ATOM 0 H HIS A 102 -11.650 -15.482 3.544 1.00 55.31 H new ATOM 0 HA HIS A 102 -11.899 -13.099 1.822 1.00 64.41 H new ATOM 0 HB2 HIS A 102 -13.688 -13.649 4.225 1.00 15.34 H new ATOM 0 HB3 HIS A 102 -13.537 -12.096 3.426 1.00 15.34 H new ATOM 0 HD1 HIS A 102 -15.062 -15.504 3.048 1.00 63.42 H new ATOM 0 HD2 HIS A 102 -14.833 -11.929 0.880 1.00 12.01 H new ATOM 0 HE1 HIS A 102 -16.739 -15.704 1.164 1.00 71.44 H new ATOM 1591 N CYS A 103 -10.428 -11.833 3.477 1.00 33.43 N ATOM 1592 CA CYS A 103 -9.450 -11.138 4.356 1.00 71.44 C ATOM 1593 C CYS A 103 -9.451 -9.616 4.096 1.00 22.33 C ATOM 1594 O CYS A 103 -9.497 -9.178 2.946 1.00 75.33 O ATOM 1595 CB CYS A 103 -8.027 -11.704 4.147 1.00 23.43 C ATOM 1596 SG CYS A 103 -7.862 -13.442 4.607 1.00 15.20 S ATOM 0 H CYS A 103 -10.615 -11.338 2.605 1.00 33.43 H new ATOM 0 HA CYS A 103 -9.753 -11.314 5.388 1.00 71.44 H new ATOM 0 HB2 CYS A 103 -7.749 -11.587 3.100 1.00 23.43 H new ATOM 0 HB3 CYS A 103 -7.321 -11.114 4.732 1.00 23.43 H new ATOM 0 HG CYS A 103 -9.041 -13.952 4.807 1.00 15.20 H new ATOM 1602 N THR A 104 -9.371 -8.824 5.183 1.00 20.11 N ATOM 1603 CA THR A 104 -9.384 -7.348 5.106 1.00 41.13 C ATOM 1604 C THR A 104 -7.946 -6.781 4.989 1.00 51.14 C ATOM 1605 O THR A 104 -7.175 -6.841 5.943 1.00 72.22 O ATOM 1606 CB THR A 104 -10.090 -6.712 6.353 1.00 1.11 C ATOM 1607 OG1 THR A 104 -11.381 -7.324 6.548 1.00 0.14 O ATOM 1608 CG2 THR A 104 -10.268 -5.184 6.196 1.00 31.23 C ATOM 0 H THR A 104 -9.296 -9.185 6.134 1.00 20.11 H new ATOM 0 HA THR A 104 -9.948 -7.085 4.211 1.00 41.13 H new ATOM 0 HB THR A 104 -9.453 -6.892 7.219 1.00 1.11 H new ATOM 0 HG1 THR A 104 -11.818 -6.925 7.329 1.00 0.14 H new ATOM 0 HG21 THR A 104 -10.761 -4.782 7.081 1.00 31.23 H new ATOM 0 HG22 THR A 104 -9.291 -4.714 6.080 1.00 31.23 H new ATOM 0 HG23 THR A 104 -10.877 -4.977 5.316 1.00 31.23 H new ATOM 1616 N VAL A 105 -7.602 -6.210 3.817 1.00 22.05 N ATOM 1617 CA VAL A 105 -6.265 -5.627 3.569 1.00 35.42 C ATOM 1618 C VAL A 105 -6.268 -4.131 3.936 1.00 32.12 C ATOM 1619 O VAL A 105 -7.019 -3.338 3.354 1.00 21.00 O ATOM 1620 CB VAL A 105 -5.823 -5.810 2.075 1.00 1.53 C ATOM 1621 CG1 VAL A 105 -4.383 -5.276 1.825 1.00 62.04 C ATOM 1622 CG2 VAL A 105 -5.948 -7.289 1.659 1.00 72.41 C ATOM 0 H VAL A 105 -8.236 -6.139 3.021 1.00 22.05 H new ATOM 0 HA VAL A 105 -5.548 -6.156 4.197 1.00 35.42 H new ATOM 0 HB VAL A 105 -6.493 -5.215 1.454 1.00 1.53 H new ATOM 0 HG11 VAL A 105 -4.117 -5.422 0.778 1.00 62.04 H new ATOM 0 HG12 VAL A 105 -4.342 -4.213 2.064 1.00 62.04 H new ATOM 0 HG13 VAL A 105 -3.679 -5.818 2.457 1.00 62.04 H new ATOM 0 HG21 VAL A 105 -5.638 -7.402 0.620 1.00 72.41 H new ATOM 0 HG22 VAL A 105 -5.310 -7.901 2.297 1.00 72.41 H new ATOM 0 HG23 VAL A 105 -6.984 -7.611 1.766 1.00 72.41 H new ATOM 1632 N VAL A 106 -5.422 -3.767 4.906 1.00 4.42 N ATOM 1633 CA VAL A 106 -5.337 -2.403 5.447 1.00 0.51 C ATOM 1634 C VAL A 106 -4.066 -1.705 4.919 1.00 45.45 C ATOM 1635 O VAL A 106 -2.944 -2.103 5.251 1.00 74.21 O ATOM 1636 CB VAL A 106 -5.329 -2.421 7.025 1.00 20.40 C ATOM 1637 CG1 VAL A 106 -5.355 -0.982 7.615 1.00 43.34 C ATOM 1638 CG2 VAL A 106 -6.505 -3.272 7.573 1.00 71.53 C ATOM 0 H VAL A 106 -4.769 -4.417 5.343 1.00 4.42 H new ATOM 0 HA VAL A 106 -6.215 -1.848 5.117 1.00 0.51 H new ATOM 0 HB VAL A 106 -4.396 -2.885 7.345 1.00 20.40 H new ATOM 0 HG11 VAL A 106 -5.349 -1.035 8.704 1.00 43.34 H new ATOM 0 HG12 VAL A 106 -4.478 -0.433 7.273 1.00 43.34 H new ATOM 0 HG13 VAL A 106 -6.257 -0.468 7.282 1.00 43.34 H new ATOM 0 HG21 VAL A 106 -6.479 -3.270 8.663 1.00 71.53 H new ATOM 0 HG22 VAL A 106 -7.450 -2.849 7.232 1.00 71.53 H new ATOM 0 HG23 VAL A 106 -6.413 -4.296 7.210 1.00 71.53 H new ATOM 1648 N TRP A 107 -4.259 -0.676 4.082 1.00 73.12 N ATOM 1649 CA TRP A 107 -3.168 0.167 3.567 1.00 52.04 C ATOM 1650 C TRP A 107 -3.239 1.553 4.257 1.00 5.24 C ATOM 1651 O TRP A 107 -4.174 2.328 4.031 1.00 0.15 O ATOM 1652 CB TRP A 107 -3.265 0.283 2.024 1.00 50.34 C ATOM 1653 CG TRP A 107 -2.018 0.789 1.325 1.00 25.24 C ATOM 1654 CD1 TRP A 107 -0.802 1.104 1.882 1.00 4.22 C ATOM 1655 CD2 TRP A 107 -1.879 1.023 -0.079 1.00 21.04 C ATOM 1656 NE1 TRP A 107 0.071 1.506 0.907 1.00 10.42 N ATOM 1657 CE2 TRP A 107 -0.566 1.469 -0.302 1.00 63.14 C ATOM 1658 CE3 TRP A 107 -2.743 0.899 -1.167 1.00 13.22 C ATOM 1659 CZ2 TRP A 107 -0.093 1.787 -1.573 1.00 72.10 C ATOM 1660 CZ3 TRP A 107 -2.277 1.221 -2.423 1.00 22.24 C ATOM 1661 CH2 TRP A 107 -0.960 1.662 -2.618 1.00 23.42 C ATOM 0 H TRP A 107 -5.181 -0.403 3.741 1.00 73.12 H new ATOM 0 HA TRP A 107 -2.202 -0.284 3.795 1.00 52.04 H new ATOM 0 HB2 TRP A 107 -3.514 -0.698 1.619 1.00 50.34 H new ATOM 0 HB3 TRP A 107 -4.093 0.949 1.779 1.00 50.34 H new ATOM 0 HD1 TRP A 107 -0.569 1.043 2.935 1.00 4.22 H new ATOM 0 HE1 TRP A 107 1.040 1.787 1.058 1.00 10.42 H new ATOM 0 HE3 TRP A 107 -3.758 0.557 -1.028 1.00 13.22 H new ATOM 0 HZ2 TRP A 107 0.923 2.120 -1.725 1.00 72.10 H new ATOM 0 HZ3 TRP A 107 -2.938 1.132 -3.273 1.00 22.24 H new ATOM 0 HH2 TRP A 107 -0.626 1.907 -3.615 1.00 23.42 H new ATOM 1672 N THR A 108 -2.240 1.852 5.097 1.00 5.21 N ATOM 1673 CA THR A 108 -2.229 3.055 5.963 1.00 52.30 C ATOM 1674 C THR A 108 -0.961 3.890 5.696 1.00 52.15 C ATOM 1675 O THR A 108 0.142 3.359 5.761 1.00 41.21 O ATOM 1676 CB THR A 108 -2.306 2.638 7.480 1.00 53.52 C ATOM 1677 OG1 THR A 108 -3.527 1.919 7.722 1.00 61.23 O ATOM 1678 CG2 THR A 108 -2.229 3.841 8.445 1.00 12.32 C ATOM 0 H THR A 108 -1.410 1.269 5.201 1.00 5.21 H new ATOM 0 HA THR A 108 -3.102 3.664 5.729 1.00 52.30 H new ATOM 0 HB THR A 108 -1.438 2.009 7.676 1.00 53.52 H new ATOM 0 HG1 THR A 108 -3.572 1.659 8.666 1.00 61.23 H new ATOM 0 HG21 THR A 108 -2.287 3.486 9.474 1.00 12.32 H new ATOM 0 HG22 THR A 108 -1.286 4.368 8.296 1.00 12.32 H new ATOM 0 HG23 THR A 108 -3.059 4.520 8.247 1.00 12.32 H new ATOM 1686 N ALA A 109 -1.130 5.202 5.410 1.00 75.05 N ATOM 1687 CA ALA A 109 -0.003 6.124 5.128 1.00 0.15 C ATOM 1688 C ALA A 109 -0.094 7.398 5.984 1.00 75.13 C ATOM 1689 O ALA A 109 -1.024 8.187 5.844 1.00 51.04 O ATOM 1690 CB ALA A 109 0.057 6.499 3.642 1.00 60.30 C ATOM 0 H ALA A 109 -2.045 5.650 5.368 1.00 75.05 H new ATOM 0 HA ALA A 109 0.913 5.594 5.389 1.00 0.15 H new ATOM 0 HB1 ALA A 109 0.894 7.176 3.471 1.00 60.30 H new ATOM 0 HB2 ALA A 109 0.191 5.597 3.044 1.00 60.30 H new ATOM 0 HB3 ALA A 109 -0.872 6.991 3.353 1.00 60.30 H new ATOM 1696 N MET A 110 0.921 7.608 6.820 1.00 24.35 N ATOM 1697 CA MET A 110 1.031 8.760 7.726 1.00 71.12 C ATOM 1698 C MET A 110 2.293 9.565 7.366 1.00 4.43 C ATOM 1699 O MET A 110 3.390 9.008 7.261 1.00 34.14 O ATOM 1700 CB MET A 110 1.031 8.317 9.223 1.00 71.15 C ATOM 1701 CG MET A 110 1.787 7.022 9.542 1.00 32.12 C ATOM 1702 SD MET A 110 0.948 5.569 8.866 1.00 24.55 S ATOM 1703 CE MET A 110 1.895 4.233 9.577 1.00 20.44 C ATOM 0 H MET A 110 1.712 6.968 6.891 1.00 24.35 H new ATOM 0 HA MET A 110 0.157 9.399 7.599 1.00 71.12 H new ATOM 0 HB2 MET A 110 1.462 9.122 9.819 1.00 71.15 H new ATOM 0 HB3 MET A 110 -0.003 8.199 9.546 1.00 71.15 H new ATOM 0 HG2 MET A 110 2.796 7.081 9.135 1.00 32.12 H new ATOM 0 HG3 MET A 110 1.885 6.915 10.622 1.00 32.12 H new ATOM 0 HE1 MET A 110 1.486 3.279 9.243 1.00 20.44 H new ATOM 0 HE2 MET A 110 2.934 4.314 9.258 1.00 20.44 H new ATOM 0 HE3 MET A 110 1.844 4.289 10.664 1.00 20.44 H new ATOM 1713 N PHE A 111 2.118 10.877 7.184 1.00 45.43 N ATOM 1714 CA PHE A 111 3.168 11.781 6.673 1.00 23.00 C ATOM 1715 C PHE A 111 3.077 13.173 7.320 1.00 11.30 C ATOM 1716 O PHE A 111 2.030 13.559 7.827 1.00 54.31 O ATOM 1717 CB PHE A 111 3.128 11.845 5.113 1.00 12.22 C ATOM 1718 CG PHE A 111 1.737 11.960 4.471 1.00 11.34 C ATOM 1719 CD1 PHE A 111 1.004 13.143 4.537 1.00 21.14 C ATOM 1720 CD2 PHE A 111 1.182 10.888 3.765 1.00 74.11 C ATOM 1721 CE1 PHE A 111 -0.231 13.246 3.928 1.00 32.22 C ATOM 1722 CE2 PHE A 111 -0.046 10.995 3.152 1.00 55.42 C ATOM 1723 CZ PHE A 111 -0.752 12.178 3.231 1.00 13.30 C ATOM 0 H PHE A 111 1.238 11.352 7.387 1.00 45.43 H new ATOM 0 HA PHE A 111 4.139 11.374 6.956 1.00 23.00 H new ATOM 0 HB2 PHE A 111 3.725 12.698 4.790 1.00 12.22 H new ATOM 0 HB3 PHE A 111 3.612 10.950 4.722 1.00 12.22 H new ATOM 0 HD1 PHE A 111 1.407 13.991 5.071 1.00 21.14 H new ATOM 0 HD2 PHE A 111 1.727 9.958 3.699 1.00 74.11 H new ATOM 0 HE1 PHE A 111 -0.790 14.167 3.998 1.00 32.22 H new ATOM 0 HE2 PHE A 111 -0.456 10.155 2.611 1.00 55.42 H new ATOM 0 HZ PHE A 111 -1.713 12.267 2.746 1.00 13.30 H new ATOM 1733 N ASP A 112 4.201 13.912 7.334 1.00 51.11 N ATOM 1734 CA ASP A 112 4.241 15.282 7.880 1.00 40.55 C ATOM 1735 C ASP A 112 3.919 16.299 6.767 1.00 33.31 C ATOM 1736 O ASP A 112 4.814 16.807 6.080 1.00 32.13 O ATOM 1737 CB ASP A 112 5.612 15.567 8.526 1.00 51.53 C ATOM 1738 CG ASP A 112 5.671 16.913 9.267 1.00 10.03 C ATOM 1739 OD1 ASP A 112 5.170 16.990 10.409 1.00 74.44 O ATOM 1740 OD2 ASP A 112 6.214 17.900 8.717 1.00 74.14 O ATOM 0 H ASP A 112 5.096 13.583 6.973 1.00 51.11 H new ATOM 0 HA ASP A 112 3.485 15.379 8.659 1.00 40.55 H new ATOM 0 HB2 ASP A 112 5.849 14.765 9.225 1.00 51.53 H new ATOM 0 HB3 ASP A 112 6.380 15.553 7.752 1.00 51.53 H new ATOM 1745 N CYS A 113 2.621 16.527 6.557 1.00 0.23 N ATOM 1746 CA CYS A 113 2.117 17.497 5.554 1.00 13.32 C ATOM 1747 C CYS A 113 1.211 18.570 6.198 1.00 13.13 C ATOM 1748 O CYS A 113 0.520 18.294 7.183 1.00 50.01 O ATOM 1749 CB CYS A 113 1.346 16.740 4.459 1.00 25.31 C ATOM 1750 SG CYS A 113 0.687 17.788 3.148 1.00 45.52 S ATOM 0 H CYS A 113 1.881 16.050 7.072 1.00 0.23 H new ATOM 0 HA CYS A 113 2.972 18.013 5.118 1.00 13.32 H new ATOM 0 HB2 CYS A 113 2.008 15.996 4.014 1.00 25.31 H new ATOM 0 HB3 CYS A 113 0.522 16.197 4.922 1.00 25.31 H new ATOM 0 HG CYS A 113 -0.181 18.616 3.649 1.00 45.52 H new ATOM 1756 N SER A 114 1.227 19.795 5.628 1.00 3.01 N ATOM 1757 CA SER A 114 0.322 20.896 6.045 1.00 23.24 C ATOM 1758 C SER A 114 -1.146 20.496 5.782 1.00 25.12 C ATOM 1759 O SER A 114 -1.464 20.133 4.655 1.00 14.33 O ATOM 1760 CB SER A 114 0.652 22.195 5.271 1.00 40.34 C ATOM 1761 OG SER A 114 -0.252 23.250 5.589 1.00 42.35 O ATOM 0 H SER A 114 1.861 20.050 4.871 1.00 3.01 H new ATOM 0 HA SER A 114 0.465 21.077 7.110 1.00 23.24 H new ATOM 0 HB2 SER A 114 1.670 22.507 5.504 1.00 40.34 H new ATOM 0 HB3 SER A 114 0.616 21.998 4.200 1.00 40.34 H new ATOM 0 HG SER A 114 -0.009 24.053 5.082 1.00 42.35 H new ATOM 1767 N PRO A 115 -2.058 20.542 6.819 1.00 72.21 N ATOM 1768 CA PRO A 115 -3.449 20.009 6.718 1.00 33.24 C ATOM 1769 C PRO A 115 -4.285 20.520 5.496 1.00 74.44 C ATOM 1770 O PRO A 115 -5.245 19.862 5.101 1.00 50.25 O ATOM 1771 CB PRO A 115 -4.099 20.387 8.085 1.00 51.22 C ATOM 1772 CG PRO A 115 -3.167 21.384 8.713 1.00 43.41 C ATOM 1773 CD PRO A 115 -1.789 21.067 8.185 1.00 34.42 C ATOM 0 HA PRO A 115 -3.427 18.936 6.528 1.00 33.24 H new ATOM 0 HB2 PRO A 115 -5.092 20.814 7.942 1.00 51.22 H new ATOM 0 HB3 PRO A 115 -4.218 19.508 8.719 1.00 51.22 H new ATOM 0 HG2 PRO A 115 -3.457 22.403 8.456 1.00 43.41 H new ATOM 0 HG3 PRO A 115 -3.193 21.310 9.800 1.00 43.41 H new ATOM 0 HD2 PRO A 115 -1.155 21.953 8.158 1.00 34.42 H new ATOM 0 HD3 PRO A 115 -1.280 20.330 8.806 1.00 34.42 H new ATOM 1781 N GLU A 116 -3.917 21.689 4.914 1.00 62.01 N ATOM 1782 CA GLU A 116 -4.495 22.167 3.619 1.00 24.55 C ATOM 1783 C GLU A 116 -4.124 21.237 2.440 1.00 74.22 C ATOM 1784 O GLU A 116 -4.986 20.831 1.657 1.00 52.12 O ATOM 1785 CB GLU A 116 -4.032 23.622 3.309 1.00 61.22 C ATOM 1786 CG GLU A 116 -4.794 24.716 4.078 1.00 4.55 C ATOM 1787 CD GLU A 116 -6.289 24.783 3.704 1.00 13.31 C ATOM 1788 OE1 GLU A 116 -6.621 25.402 2.667 1.00 24.24 O ATOM 1789 OE2 GLU A 116 -7.132 24.213 4.434 1.00 12.30 O ATOM 0 H GLU A 116 -3.224 22.321 5.315 1.00 62.01 H new ATOM 0 HA GLU A 116 -5.579 22.151 3.732 1.00 24.55 H new ATOM 0 HB2 GLU A 116 -2.970 23.708 3.539 1.00 61.22 H new ATOM 0 HB3 GLU A 116 -4.142 23.804 2.240 1.00 61.22 H new ATOM 0 HG2 GLU A 116 -4.700 24.533 5.148 1.00 4.55 H new ATOM 0 HG3 GLU A 116 -4.331 25.682 3.879 1.00 4.55 H new ATOM 1796 N THR A 117 -2.825 20.929 2.314 1.00 3.43 N ATOM 1797 CA THR A 117 -2.318 19.990 1.292 1.00 24.23 C ATOM 1798 C THR A 117 -2.730 18.537 1.635 1.00 35.35 C ATOM 1799 O THR A 117 -3.090 17.768 0.757 1.00 1.00 O ATOM 1800 CB THR A 117 -0.756 20.080 1.162 1.00 1.32 C ATOM 1801 OG1 THR A 117 -0.358 21.446 0.929 1.00 30.03 O ATOM 1802 CG2 THR A 117 -0.209 19.195 0.020 1.00 35.14 C ATOM 0 H THR A 117 -2.097 21.319 2.912 1.00 3.43 H new ATOM 0 HA THR A 117 -2.762 20.272 0.337 1.00 24.23 H new ATOM 0 HB THR A 117 -0.338 19.716 2.100 1.00 1.32 H new ATOM 0 HG1 THR A 117 0.618 21.494 0.851 1.00 30.03 H new ATOM 0 HG21 THR A 117 0.876 19.293 -0.028 1.00 35.14 H new ATOM 0 HG22 THR A 117 -0.472 18.154 0.209 1.00 35.14 H new ATOM 0 HG23 THR A 117 -0.644 19.513 -0.927 1.00 35.14 H new ATOM 1810 N ALA A 118 -2.727 18.214 2.943 1.00 74.34 N ATOM 1811 CA ALA A 118 -2.915 16.834 3.451 1.00 42.43 C ATOM 1812 C ALA A 118 -4.358 16.315 3.239 1.00 20.23 C ATOM 1813 O ALA A 118 -4.548 15.144 2.920 1.00 33.13 O ATOM 1814 CB ALA A 118 -2.531 16.763 4.934 1.00 1.43 C ATOM 0 H ALA A 118 -2.594 18.903 3.683 1.00 74.34 H new ATOM 0 HA ALA A 118 -2.258 16.184 2.874 1.00 42.43 H new ATOM 0 HB1 ALA A 118 -2.672 15.745 5.298 1.00 1.43 H new ATOM 0 HB2 ALA A 118 -1.486 17.049 5.053 1.00 1.43 H new ATOM 0 HB3 ALA A 118 -3.161 17.444 5.506 1.00 1.43 H new ATOM 1820 N ARG A 119 -5.366 17.201 3.421 1.00 23.51 N ATOM 1821 CA ARG A 119 -6.794 16.867 3.142 1.00 31.31 C ATOM 1822 C ARG A 119 -7.014 16.591 1.627 1.00 63.01 C ATOM 1823 O ARG A 119 -7.831 15.743 1.239 1.00 53.32 O ATOM 1824 CB ARG A 119 -7.735 18.005 3.639 1.00 15.54 C ATOM 1825 CG ARG A 119 -7.537 19.362 2.923 1.00 44.05 C ATOM 1826 CD ARG A 119 -8.476 20.472 3.433 1.00 73.54 C ATOM 1827 NE ARG A 119 -8.248 20.812 4.848 1.00 2.11 N ATOM 1828 CZ ARG A 119 -9.170 21.244 5.684 1.00 64.24 C ATOM 1829 NH1 ARG A 119 -10.426 21.282 5.343 1.00 24.22 N ATOM 1830 NH2 ARG A 119 -8.833 21.606 6.874 1.00 5.34 N ATOM 0 H ARG A 119 -5.223 18.153 3.759 1.00 23.51 H new ATOM 0 HA ARG A 119 -7.041 15.958 3.690 1.00 31.31 H new ATOM 0 HB2 ARG A 119 -8.769 17.687 3.507 1.00 15.54 H new ATOM 0 HB3 ARG A 119 -7.579 18.147 4.708 1.00 15.54 H new ATOM 0 HG2 ARG A 119 -6.504 19.684 3.052 1.00 44.05 H new ATOM 0 HG3 ARG A 119 -7.697 19.226 1.853 1.00 44.05 H new ATOM 0 HD2 ARG A 119 -8.339 21.365 2.824 1.00 73.54 H new ATOM 0 HD3 ARG A 119 -9.510 20.154 3.303 1.00 73.54 H new ATOM 0 HE ARG A 119 -7.300 20.704 5.210 1.00 2.11 H new ATOM 0 HH11 ARG A 119 -10.712 20.974 4.414 1.00 24.22 H new ATOM 0 HH12 ARG A 119 -11.124 21.620 6.005 1.00 24.22 H new ATOM 0 HH21 ARG A 119 -7.856 21.557 7.165 1.00 5.34 H new ATOM 0 HH22 ARG A 119 -9.543 21.941 7.525 1.00 5.34 H new ATOM 1844 N GLU A 120 -6.252 17.324 0.788 1.00 64.12 N ATOM 1845 CA GLU A 120 -6.216 17.120 -0.675 1.00 31.04 C ATOM 1846 C GLU A 120 -5.530 15.775 -1.012 1.00 63.25 C ATOM 1847 O GLU A 120 -5.907 15.094 -1.964 1.00 20.24 O ATOM 1848 CB GLU A 120 -5.468 18.300 -1.351 1.00 64.00 C ATOM 1849 CG GLU A 120 -5.387 18.224 -2.888 1.00 73.34 C ATOM 1850 CD GLU A 120 -4.672 19.432 -3.517 1.00 13.32 C ATOM 1851 OE1 GLU A 120 -5.350 20.438 -3.833 1.00 50.21 O ATOM 1852 OE2 GLU A 120 -3.435 19.387 -3.688 1.00 32.01 O ATOM 0 H GLU A 120 -5.642 18.077 1.108 1.00 64.12 H new ATOM 0 HA GLU A 120 -7.237 17.087 -1.056 1.00 31.04 H new ATOM 0 HB2 GLU A 120 -5.963 19.231 -1.074 1.00 64.00 H new ATOM 0 HB3 GLU A 120 -4.455 18.346 -0.951 1.00 64.00 H new ATOM 0 HG2 GLU A 120 -4.864 17.311 -3.173 1.00 73.34 H new ATOM 0 HG3 GLU A 120 -6.395 18.154 -3.296 1.00 73.34 H new ATOM 1859 N LEU A 121 -4.530 15.399 -0.196 1.00 45.01 N ATOM 1860 CA LEU A 121 -3.800 14.123 -0.338 1.00 0.21 C ATOM 1861 C LEU A 121 -4.646 12.931 0.152 1.00 12.14 C ATOM 1862 O LEU A 121 -4.435 11.815 -0.295 1.00 32.43 O ATOM 1863 CB LEU A 121 -2.437 14.176 0.402 1.00 5.11 C ATOM 1864 CG LEU A 121 -1.422 15.250 -0.106 1.00 23.42 C ATOM 1865 CD1 LEU A 121 -0.078 15.167 0.648 1.00 62.35 C ATOM 1866 CD2 LEU A 121 -1.221 15.157 -1.633 1.00 21.20 C ATOM 0 H LEU A 121 -4.203 15.971 0.583 1.00 45.01 H new ATOM 0 HA LEU A 121 -3.604 13.974 -1.400 1.00 0.21 H new ATOM 0 HB2 LEU A 121 -2.627 14.357 1.460 1.00 5.11 H new ATOM 0 HB3 LEU A 121 -1.967 13.196 0.326 1.00 5.11 H new ATOM 0 HG LEU A 121 -1.851 16.229 0.109 1.00 23.42 H new ATOM 0 HD11 LEU A 121 0.601 15.930 0.266 1.00 62.35 H new ATOM 0 HD12 LEU A 121 -0.247 15.331 1.712 1.00 62.35 H new ATOM 0 HD13 LEU A 121 0.363 14.181 0.499 1.00 62.35 H new ATOM 0 HD21 LEU A 121 -0.509 15.918 -1.953 1.00 21.20 H new ATOM 0 HD22 LEU A 121 -0.837 14.170 -1.890 1.00 21.20 H new ATOM 0 HD23 LEU A 121 -2.175 15.318 -2.136 1.00 21.20 H new ATOM 1878 N GLU A 122 -5.601 13.157 1.068 1.00 53.15 N ATOM 1879 CA GLU A 122 -6.573 12.101 1.456 1.00 4.20 C ATOM 1880 C GLU A 122 -7.508 11.761 0.273 1.00 21.02 C ATOM 1881 O GLU A 122 -7.952 10.624 0.139 1.00 44.13 O ATOM 1882 CB GLU A 122 -7.387 12.514 2.707 1.00 60.40 C ATOM 1883 CG GLU A 122 -6.526 12.773 3.958 1.00 45.42 C ATOM 1884 CD GLU A 122 -7.347 12.959 5.243 1.00 24.21 C ATOM 1885 OE1 GLU A 122 -7.874 14.071 5.467 1.00 45.52 O ATOM 1886 OE2 GLU A 122 -7.489 11.981 6.021 1.00 70.14 O ATOM 0 H GLU A 122 -5.727 14.046 1.553 1.00 53.15 H new ATOM 0 HA GLU A 122 -6.009 11.205 1.715 1.00 4.20 H new ATOM 0 HB2 GLU A 122 -7.955 13.415 2.477 1.00 60.40 H new ATOM 0 HB3 GLU A 122 -8.110 11.730 2.932 1.00 60.40 H new ATOM 0 HG2 GLU A 122 -5.838 11.939 4.094 1.00 45.42 H new ATOM 0 HG3 GLU A 122 -5.919 13.663 3.793 1.00 45.42 H new ATOM 1893 N SER A 123 -7.811 12.771 -0.561 1.00 44.22 N ATOM 1894 CA SER A 123 -8.497 12.568 -1.861 1.00 71.54 C ATOM 1895 C SER A 123 -7.591 11.860 -2.910 1.00 20.15 C ATOM 1896 O SER A 123 -7.943 10.801 -3.421 1.00 3.32 O ATOM 1897 CB SER A 123 -8.988 13.923 -2.423 1.00 73.54 C ATOM 1898 OG SER A 123 -9.906 14.544 -1.536 1.00 55.44 O ATOM 0 H SER A 123 -7.592 13.747 -0.360 1.00 44.22 H new ATOM 0 HA SER A 123 -9.349 11.914 -1.672 1.00 71.54 H new ATOM 0 HB2 SER A 123 -8.135 14.582 -2.588 1.00 73.54 H new ATOM 0 HB3 SER A 123 -9.463 13.767 -3.392 1.00 73.54 H new ATOM 0 HG SER A 123 -10.199 15.399 -1.915 1.00 55.44 H new ATOM 1904 N VAL A 124 -6.424 12.458 -3.223 1.00 11.21 N ATOM 1905 CA VAL A 124 -5.540 11.983 -4.321 1.00 31.51 C ATOM 1906 C VAL A 124 -4.803 10.668 -3.953 1.00 45.34 C ATOM 1907 O VAL A 124 -4.897 9.670 -4.674 1.00 1.43 O ATOM 1908 CB VAL A 124 -4.499 13.100 -4.722 1.00 42.34 C ATOM 1909 CG1 VAL A 124 -3.536 12.621 -5.845 1.00 52.22 C ATOM 1910 CG2 VAL A 124 -5.235 14.401 -5.140 1.00 31.21 C ATOM 0 H VAL A 124 -6.065 13.276 -2.731 1.00 11.21 H new ATOM 0 HA VAL A 124 -6.181 11.770 -5.177 1.00 31.51 H new ATOM 0 HB VAL A 124 -3.887 13.311 -3.845 1.00 42.34 H new ATOM 0 HG11 VAL A 124 -2.837 13.420 -6.090 1.00 52.22 H new ATOM 0 HG12 VAL A 124 -2.982 11.747 -5.501 1.00 52.22 H new ATOM 0 HG13 VAL A 124 -4.113 12.359 -6.732 1.00 52.22 H new ATOM 0 HG21 VAL A 124 -4.503 15.161 -5.413 1.00 31.21 H new ATOM 0 HG22 VAL A 124 -5.881 14.195 -5.994 1.00 31.21 H new ATOM 0 HG23 VAL A 124 -5.838 14.761 -4.307 1.00 31.21 H new ATOM 1920 N ILE A 125 -4.083 10.679 -2.825 1.00 50.21 N ATOM 1921 CA ILE A 125 -3.357 9.483 -2.324 1.00 72.00 C ATOM 1922 C ILE A 125 -4.353 8.459 -1.724 1.00 12.11 C ATOM 1923 O ILE A 125 -4.319 7.283 -2.066 1.00 24.50 O ATOM 1924 CB ILE A 125 -2.267 9.865 -1.243 1.00 14.11 C ATOM 1925 CG1 ILE A 125 -1.266 10.925 -1.811 1.00 53.31 C ATOM 1926 CG2 ILE A 125 -1.518 8.618 -0.706 1.00 61.14 C ATOM 1927 CD1 ILE A 125 -0.190 11.380 -0.828 1.00 54.52 C ATOM 0 H ILE A 125 -3.981 11.503 -2.232 1.00 50.21 H new ATOM 0 HA ILE A 125 -2.844 9.036 -3.175 1.00 72.00 H new ATOM 0 HB ILE A 125 -2.791 10.310 -0.397 1.00 14.11 H new ATOM 0 HG12 ILE A 125 -0.780 10.509 -2.693 1.00 53.31 H new ATOM 0 HG13 ILE A 125 -1.830 11.798 -2.140 1.00 53.31 H new ATOM 0 HG21 ILE A 125 -0.779 8.928 0.033 1.00 61.14 H new ATOM 0 HG22 ILE A 125 -2.232 7.936 -0.243 1.00 61.14 H new ATOM 0 HG23 ILE A 125 -1.016 8.112 -1.531 1.00 61.14 H new ATOM 0 HD11 ILE A 125 0.456 12.114 -1.310 1.00 54.52 H new ATOM 0 HD12 ILE A 125 -0.662 11.830 0.045 1.00 54.52 H new ATOM 0 HD13 ILE A 125 0.405 10.521 -0.517 1.00 54.52 H new ATOM 1939 N GLY A 126 -5.243 8.936 -0.838 1.00 62.15 N ATOM 1940 CA GLY A 126 -6.186 8.065 -0.119 1.00 11.44 C ATOM 1941 C GLY A 126 -7.234 7.381 -1.006 1.00 55.10 C ATOM 1942 O GLY A 126 -7.382 6.166 -0.954 1.00 55.21 O ATOM 0 H GLY A 126 -5.329 9.925 -0.602 1.00 62.15 H new ATOM 0 HA2 GLY A 126 -5.620 7.297 0.408 1.00 11.44 H new ATOM 0 HA3 GLY A 126 -6.701 8.657 0.637 1.00 11.44 H new ATOM 1946 N ASP A 127 -8.002 8.159 -1.784 1.00 0.31 N ATOM 1947 CA ASP A 127 -9.037 7.593 -2.689 1.00 22.01 C ATOM 1948 C ASP A 127 -8.435 7.182 -4.058 1.00 25.13 C ATOM 1949 O ASP A 127 -8.577 6.030 -4.483 1.00 51.40 O ATOM 1950 CB ASP A 127 -10.206 8.595 -2.881 1.00 52.22 C ATOM 1951 CG ASP A 127 -10.956 8.880 -1.569 1.00 4.31 C ATOM 1952 OD1 ASP A 127 -11.892 8.119 -1.225 1.00 61.53 O ATOM 1953 OD2 ASP A 127 -10.609 9.845 -0.860 1.00 12.23 O ATOM 0 H ASP A 127 -7.934 9.176 -1.811 1.00 0.31 H new ATOM 0 HA ASP A 127 -9.429 6.691 -2.218 1.00 22.01 H new ATOM 0 HB2 ASP A 127 -9.817 9.530 -3.284 1.00 52.22 H new ATOM 0 HB3 ASP A 127 -10.905 8.197 -3.617 1.00 52.22 H new ATOM 1958 N GLY A 128 -7.730 8.129 -4.704 1.00 31.12 N ATOM 1959 CA GLY A 128 -7.242 7.960 -6.084 1.00 62.43 C ATOM 1960 C GLY A 128 -6.170 6.877 -6.267 1.00 3.45 C ATOM 1961 O GLY A 128 -6.140 6.189 -7.292 1.00 34.44 O ATOM 0 H GLY A 128 -7.484 9.027 -4.287 1.00 31.12 H new ATOM 0 HA2 GLY A 128 -8.090 7.722 -6.726 1.00 62.43 H new ATOM 0 HA3 GLY A 128 -6.838 8.912 -6.429 1.00 62.43 H new ATOM 1965 N VAL A 129 -5.271 6.742 -5.284 1.00 33.45 N ATOM 1966 CA VAL A 129 -4.203 5.716 -5.312 1.00 2.30 C ATOM 1967 C VAL A 129 -4.609 4.469 -4.482 1.00 5.22 C ATOM 1968 O VAL A 129 -4.666 3.352 -5.010 1.00 72.01 O ATOM 1969 CB VAL A 129 -2.839 6.311 -4.780 1.00 14.14 C ATOM 1970 CG1 VAL A 129 -1.695 5.264 -4.770 1.00 41.54 C ATOM 1971 CG2 VAL A 129 -2.422 7.564 -5.592 1.00 15.42 C ATOM 0 H VAL A 129 -5.257 7.331 -4.451 1.00 33.45 H new ATOM 0 HA VAL A 129 -4.064 5.407 -6.348 1.00 2.30 H new ATOM 0 HB VAL A 129 -3.013 6.606 -3.745 1.00 14.14 H new ATOM 0 HG11 VAL A 129 -0.782 5.727 -4.396 1.00 41.54 H new ATOM 0 HG12 VAL A 129 -1.970 4.430 -4.124 1.00 41.54 H new ATOM 0 HG13 VAL A 129 -1.528 4.898 -5.783 1.00 41.54 H new ATOM 0 HG21 VAL A 129 -1.480 7.952 -5.204 1.00 15.42 H new ATOM 0 HG22 VAL A 129 -2.298 7.293 -6.641 1.00 15.42 H new ATOM 0 HG23 VAL A 129 -3.194 8.329 -5.503 1.00 15.42 H new ATOM 1981 N PHE A 130 -4.925 4.678 -3.188 1.00 74.24 N ATOM 1982 CA PHE A 130 -5.115 3.574 -2.213 1.00 61.40 C ATOM 1983 C PHE A 130 -6.456 2.849 -2.392 1.00 4.34 C ATOM 1984 O PHE A 130 -6.467 1.658 -2.679 1.00 15.24 O ATOM 1985 CB PHE A 130 -4.984 4.085 -0.742 1.00 44.10 C ATOM 1986 CG PHE A 130 -3.575 4.428 -0.256 1.00 53.24 C ATOM 1987 CD1 PHE A 130 -2.563 4.796 -1.139 1.00 61.54 C ATOM 1988 CD2 PHE A 130 -3.270 4.358 1.101 1.00 65.31 C ATOM 1989 CE1 PHE A 130 -1.294 5.088 -0.682 1.00 43.21 C ATOM 1990 CE2 PHE A 130 -2.004 4.647 1.554 1.00 72.13 C ATOM 1991 CZ PHE A 130 -1.014 5.010 0.663 1.00 22.22 C ATOM 0 H PHE A 130 -5.056 5.607 -2.787 1.00 74.24 H new ATOM 0 HA PHE A 130 -4.320 2.856 -2.415 1.00 61.40 H new ATOM 0 HB2 PHE A 130 -5.607 4.973 -0.634 1.00 44.10 H new ATOM 0 HB3 PHE A 130 -5.396 3.324 -0.080 1.00 44.10 H new ATOM 0 HD1 PHE A 130 -2.774 4.854 -2.197 1.00 61.54 H new ATOM 0 HD2 PHE A 130 -4.037 4.073 1.806 1.00 65.31 H new ATOM 0 HE1 PHE A 130 -0.522 5.377 -1.379 1.00 43.21 H new ATOM 0 HE2 PHE A 130 -1.784 4.590 2.610 1.00 72.13 H new ATOM 0 HZ PHE A 130 -0.020 5.233 1.022 1.00 22.22 H new ATOM 2001 N ALA A 131 -7.577 3.574 -2.217 1.00 54.54 N ATOM 2002 CA ALA A 131 -8.934 2.987 -2.308 1.00 22.02 C ATOM 2003 C ALA A 131 -9.174 2.352 -3.697 1.00 3.30 C ATOM 2004 O ALA A 131 -9.841 1.330 -3.814 1.00 34.51 O ATOM 2005 CB ALA A 131 -10.003 4.044 -1.986 1.00 24.44 C ATOM 0 H ALA A 131 -7.572 4.573 -2.011 1.00 54.54 H new ATOM 0 HA ALA A 131 -9.011 2.192 -1.567 1.00 22.02 H new ATOM 0 HB1 ALA A 131 -10.993 3.594 -2.058 1.00 24.44 H new ATOM 0 HB2 ALA A 131 -9.849 4.421 -0.975 1.00 24.44 H new ATOM 0 HB3 ALA A 131 -9.926 4.867 -2.696 1.00 24.44 H new ATOM 2011 N VAL A 132 -8.572 2.953 -4.732 1.00 11.11 N ATOM 2012 CA VAL A 132 -8.566 2.397 -6.096 1.00 71.31 C ATOM 2013 C VAL A 132 -7.769 1.058 -6.173 1.00 24.53 C ATOM 2014 O VAL A 132 -8.284 0.066 -6.686 1.00 22.51 O ATOM 2015 CB VAL A 132 -7.997 3.453 -7.115 1.00 2.41 C ATOM 2016 CG1 VAL A 132 -7.496 2.799 -8.415 1.00 34.44 C ATOM 2017 CG2 VAL A 132 -9.054 4.540 -7.429 1.00 24.22 C ATOM 0 H VAL A 132 -8.074 3.839 -4.649 1.00 11.11 H new ATOM 0 HA VAL A 132 -9.597 2.171 -6.368 1.00 71.31 H new ATOM 0 HB VAL A 132 -7.138 3.924 -6.637 1.00 2.41 H new ATOM 0 HG11 VAL A 132 -7.113 3.569 -9.085 1.00 34.44 H new ATOM 0 HG12 VAL A 132 -6.700 2.091 -8.183 1.00 34.44 H new ATOM 0 HG13 VAL A 132 -8.319 2.273 -8.899 1.00 34.44 H new ATOM 0 HG21 VAL A 132 -8.638 5.259 -8.135 1.00 24.22 H new ATOM 0 HG22 VAL A 132 -9.938 4.073 -7.864 1.00 24.22 H new ATOM 0 HG23 VAL A 132 -9.331 5.054 -6.509 1.00 24.22 H new ATOM 2027 N GLY A 133 -6.523 1.053 -5.653 1.00 70.14 N ATOM 2028 CA GLY A 133 -5.647 -0.140 -5.696 1.00 73.32 C ATOM 2029 C GLY A 133 -6.195 -1.329 -4.888 1.00 44.12 C ATOM 2030 O GLY A 133 -6.099 -2.484 -5.313 1.00 44.15 O ATOM 0 H GLY A 133 -6.100 1.862 -5.198 1.00 70.14 H new ATOM 0 HA2 GLY A 133 -5.513 -0.446 -6.734 1.00 73.32 H new ATOM 0 HA3 GLY A 133 -4.662 0.127 -5.313 1.00 73.32 H new ATOM 2034 N LEU A 134 -6.795 -1.015 -3.730 1.00 65.33 N ATOM 2035 CA LEU A 134 -7.406 -1.998 -2.812 1.00 63.34 C ATOM 2036 C LEU A 134 -8.721 -2.585 -3.391 1.00 53.44 C ATOM 2037 O LEU A 134 -8.986 -3.784 -3.251 1.00 74.13 O ATOM 2038 CB LEU A 134 -7.674 -1.327 -1.439 1.00 55.21 C ATOM 2039 CG LEU A 134 -6.418 -0.914 -0.606 1.00 24.40 C ATOM 2040 CD1 LEU A 134 -6.835 -0.277 0.734 1.00 52.53 C ATOM 2041 CD2 LEU A 134 -5.460 -2.112 -0.389 1.00 62.34 C ATOM 0 H LEU A 134 -6.872 -0.054 -3.396 1.00 65.33 H new ATOM 0 HA LEU A 134 -6.708 -2.826 -2.686 1.00 63.34 H new ATOM 0 HB2 LEU A 134 -8.279 -0.436 -1.607 1.00 55.21 H new ATOM 0 HB3 LEU A 134 -8.273 -2.010 -0.837 1.00 55.21 H new ATOM 0 HG LEU A 134 -5.871 -0.165 -1.178 1.00 24.40 H new ATOM 0 HD11 LEU A 134 -5.944 0.002 1.297 1.00 52.53 H new ATOM 0 HD12 LEU A 134 -7.437 0.611 0.543 1.00 52.53 H new ATOM 0 HD13 LEU A 134 -7.419 -0.994 1.311 1.00 52.53 H new ATOM 0 HD21 LEU A 134 -4.598 -1.788 0.194 1.00 62.34 H new ATOM 0 HD22 LEU A 134 -5.983 -2.904 0.147 1.00 62.34 H new ATOM 0 HD23 LEU A 134 -5.124 -2.489 -1.355 1.00 62.34 H new ATOM 2053 N ASN A 135 -9.537 -1.726 -4.045 1.00 33.43 N ATOM 2054 CA ASN A 135 -10.787 -2.170 -4.718 1.00 14.22 C ATOM 2055 C ASN A 135 -10.455 -3.016 -5.966 1.00 21.41 C ATOM 2056 O ASN A 135 -11.119 -4.006 -6.224 1.00 14.14 O ATOM 2057 CB ASN A 135 -11.721 -0.969 -5.085 1.00 41.43 C ATOM 2058 CG ASN A 135 -12.734 -0.632 -3.980 1.00 13.42 C ATOM 2059 OD1 ASN A 135 -13.861 -1.117 -3.990 1.00 14.31 O ATOM 2060 ND2 ASN A 135 -12.338 0.160 -3.003 1.00 14.42 N ATOM 0 H ASN A 135 -9.356 -0.725 -4.123 1.00 33.43 H new ATOM 0 HA ASN A 135 -11.337 -2.791 -4.010 1.00 14.22 H new ATOM 0 HB2 ASN A 135 -11.109 -0.090 -5.289 1.00 41.43 H new ATOM 0 HB3 ASN A 135 -12.259 -1.203 -6.004 1.00 41.43 H new ATOM 0 HD21 ASN A 135 -12.973 0.380 -2.236 1.00 14.42 H new ATOM 0 HD22 ASN A 135 -11.397 0.552 -3.014 1.00 14.42 H new ATOM 2067 N ALA A 136 -9.401 -2.626 -6.711 1.00 25.34 N ATOM 2068 CA ALA A 136 -8.904 -3.377 -7.890 1.00 32.11 C ATOM 2069 C ALA A 136 -8.354 -4.765 -7.489 1.00 75.14 C ATOM 2070 O ALA A 136 -8.468 -5.741 -8.245 1.00 65.11 O ATOM 2071 CB ALA A 136 -7.826 -2.556 -8.619 1.00 41.00 C ATOM 0 H ALA A 136 -8.867 -1.780 -6.514 1.00 25.34 H new ATOM 0 HA ALA A 136 -9.743 -3.542 -8.565 1.00 32.11 H new ATOM 0 HB1 ALA A 136 -7.466 -3.114 -9.483 1.00 41.00 H new ATOM 0 HB2 ALA A 136 -8.252 -1.609 -8.950 1.00 41.00 H new ATOM 0 HB3 ALA A 136 -6.995 -2.363 -7.940 1.00 41.00 H new ATOM 2077 N LEU A 137 -7.757 -4.827 -6.284 1.00 43.22 N ATOM 2078 CA LEU A 137 -7.298 -6.083 -5.656 1.00 34.34 C ATOM 2079 C LEU A 137 -8.531 -6.975 -5.309 1.00 12.32 C ATOM 2080 O LEU A 137 -8.494 -8.200 -5.432 1.00 32.13 O ATOM 2081 CB LEU A 137 -6.425 -5.729 -4.401 1.00 10.51 C ATOM 2082 CG LEU A 137 -5.419 -6.822 -3.883 1.00 12.34 C ATOM 2083 CD1 LEU A 137 -4.349 -6.217 -2.951 1.00 1.01 C ATOM 2084 CD2 LEU A 137 -6.116 -7.992 -3.169 1.00 3.41 C ATOM 0 H LEU A 137 -7.578 -4.001 -5.713 1.00 43.22 H new ATOM 0 HA LEU A 137 -6.675 -6.660 -6.339 1.00 34.34 H new ATOM 0 HB2 LEU A 137 -5.854 -4.829 -4.631 1.00 10.51 H new ATOM 0 HB3 LEU A 137 -7.099 -5.478 -3.582 1.00 10.51 H new ATOM 0 HG LEU A 137 -4.936 -7.216 -4.777 1.00 12.34 H new ATOM 0 HD11 LEU A 137 -3.673 -7.003 -2.614 1.00 1.01 H new ATOM 0 HD12 LEU A 137 -3.783 -5.459 -3.491 1.00 1.01 H new ATOM 0 HD13 LEU A 137 -4.834 -5.761 -2.088 1.00 1.01 H new ATOM 0 HD21 LEU A 137 -5.369 -8.712 -2.835 1.00 3.41 H new ATOM 0 HD22 LEU A 137 -6.667 -7.616 -2.307 1.00 3.41 H new ATOM 0 HD23 LEU A 137 -6.807 -8.479 -3.857 1.00 3.41 H new ATOM 2096 N ALA A 138 -9.628 -6.331 -4.896 1.00 24.14 N ATOM 2097 CA ALA A 138 -10.919 -7.009 -4.645 1.00 14.22 C ATOM 2098 C ALA A 138 -11.629 -7.443 -5.970 1.00 70.50 C ATOM 2099 O ALA A 138 -12.381 -8.423 -5.979 1.00 12.22 O ATOM 2100 CB ALA A 138 -11.816 -6.089 -3.802 1.00 4.10 C ATOM 0 H ALA A 138 -9.653 -5.326 -4.724 1.00 24.14 H new ATOM 0 HA ALA A 138 -10.724 -7.929 -4.093 1.00 14.22 H new ATOM 0 HB1 ALA A 138 -12.769 -6.583 -3.614 1.00 4.10 H new ATOM 0 HB2 ALA A 138 -11.326 -5.873 -2.853 1.00 4.10 H new ATOM 0 HB3 ALA A 138 -11.990 -5.158 -4.341 1.00 4.10 H new ATOM 2106 N GLU A 139 -11.374 -6.710 -7.088 1.00 65.24 N ATOM 2107 CA GLU A 139 -11.973 -7.023 -8.417 1.00 65.44 C ATOM 2108 C GLU A 139 -11.347 -8.290 -9.046 1.00 53.24 C ATOM 2109 O GLU A 139 -12.068 -9.119 -9.612 1.00 62.13 O ATOM 2110 CB GLU A 139 -11.828 -5.833 -9.418 1.00 51.24 C ATOM 2111 CG GLU A 139 -12.463 -4.492 -8.981 1.00 42.43 C ATOM 2112 CD GLU A 139 -13.970 -4.567 -8.685 1.00 52.40 C ATOM 2113 OE1 GLU A 139 -14.354 -4.842 -7.527 1.00 43.34 O ATOM 2114 OE2 GLU A 139 -14.795 -4.348 -9.602 1.00 71.21 O ATOM 0 H GLU A 139 -10.757 -5.898 -7.096 1.00 65.24 H new ATOM 0 HA GLU A 139 -13.032 -7.203 -8.233 1.00 65.44 H new ATOM 0 HB2 GLU A 139 -10.766 -5.666 -9.600 1.00 51.24 H new ATOM 0 HB3 GLU A 139 -12.272 -6.129 -10.369 1.00 51.24 H new ATOM 0 HG2 GLU A 139 -11.948 -4.134 -8.090 1.00 42.43 H new ATOM 0 HG3 GLU A 139 -12.296 -3.753 -9.764 1.00 42.43 H new ATOM 2121 N ARG A 140 -10.001 -8.428 -8.953 1.00 65.43 N ATOM 2122 CA ARG A 140 -9.284 -9.625 -9.483 1.00 23.11 C ATOM 2123 C ARG A 140 -9.692 -10.915 -8.725 1.00 3.14 C ATOM 2124 O ARG A 140 -9.918 -11.963 -9.339 1.00 23.11 O ATOM 2125 CB ARG A 140 -7.735 -9.442 -9.462 1.00 42.34 C ATOM 2126 CG ARG A 140 -7.137 -9.004 -8.104 1.00 33.12 C ATOM 2127 CD ARG A 140 -5.621 -9.272 -7.984 1.00 63.22 C ATOM 2128 NE ARG A 140 -4.854 -8.765 -9.141 1.00 75.01 N ATOM 2129 CZ ARG A 140 -3.958 -9.457 -9.822 1.00 23.31 C ATOM 2130 NH1 ARG A 140 -3.668 -10.680 -9.502 1.00 44.15 N ATOM 2131 NH2 ARG A 140 -3.364 -8.920 -10.830 1.00 1.24 N ATOM 0 H ARG A 140 -9.391 -7.734 -8.521 1.00 65.43 H new ATOM 0 HA ARG A 140 -9.587 -9.731 -10.525 1.00 23.11 H new ATOM 0 HB2 ARG A 140 -7.271 -10.383 -9.758 1.00 42.34 H new ATOM 0 HB3 ARG A 140 -7.463 -8.702 -10.215 1.00 42.34 H new ATOM 0 HG2 ARG A 140 -7.322 -7.939 -7.961 1.00 33.12 H new ATOM 0 HG3 ARG A 140 -7.655 -9.529 -7.301 1.00 33.12 H new ATOM 0 HD2 ARG A 140 -5.246 -8.806 -7.073 1.00 63.22 H new ATOM 0 HD3 ARG A 140 -5.453 -10.345 -7.885 1.00 63.22 H new ATOM 0 HE ARG A 140 -5.030 -7.805 -9.437 1.00 75.01 H new ATOM 0 HH11 ARG A 140 -4.135 -11.125 -8.712 1.00 44.15 H new ATOM 0 HH12 ARG A 140 -2.973 -11.197 -10.041 1.00 44.15 H new ATOM 0 HH21 ARG A 140 -3.585 -7.962 -11.101 1.00 1.24 H new ATOM 0 HH22 ARG A 140 -2.672 -9.452 -11.357 1.00 1.24 H new ATOM 2145 N TYR A 141 -9.827 -10.821 -7.386 1.00 0.32 N ATOM 2146 CA TYR A 141 -10.321 -11.945 -6.554 1.00 61.32 C ATOM 2147 C TYR A 141 -11.868 -12.018 -6.579 1.00 52.31 C ATOM 2148 O TYR A 141 -12.462 -12.948 -6.029 1.00 3.44 O ATOM 2149 CB TYR A 141 -9.792 -11.825 -5.111 1.00 73.12 C ATOM 2150 CG TYR A 141 -8.285 -12.110 -4.964 1.00 0.22 C ATOM 2151 CD1 TYR A 141 -7.789 -13.419 -5.001 1.00 35.01 C ATOM 2152 CD2 TYR A 141 -7.371 -11.086 -4.751 1.00 11.02 C ATOM 2153 CE1 TYR A 141 -6.440 -13.682 -4.822 1.00 44.34 C ATOM 2154 CE2 TYR A 141 -6.030 -11.341 -4.580 1.00 44.52 C ATOM 2155 CZ TYR A 141 -5.565 -12.635 -4.611 1.00 23.24 C ATOM 2156 OH TYR A 141 -4.221 -12.877 -4.427 1.00 40.12 O ATOM 0 H TYR A 141 -9.602 -9.980 -6.855 1.00 0.32 H new ATOM 0 HA TYR A 141 -9.941 -12.875 -6.977 1.00 61.32 H new ATOM 0 HB2 TYR A 141 -9.998 -10.820 -4.743 1.00 73.12 H new ATOM 0 HB3 TYR A 141 -10.345 -12.516 -4.475 1.00 73.12 H new ATOM 0 HD1 TYR A 141 -8.470 -14.239 -5.172 1.00 35.01 H new ATOM 0 HD2 TYR A 141 -7.722 -10.065 -4.719 1.00 11.02 H new ATOM 0 HE1 TYR A 141 -6.076 -14.698 -4.847 1.00 44.34 H new ATOM 0 HE2 TYR A 141 -5.342 -10.524 -4.421 1.00 44.52 H new ATOM 0 HH TYR A 141 -3.751 -12.028 -4.293 1.00 40.12 H new ATOM 2166 N GLY A 142 -12.508 -11.050 -7.273 1.00 63.45 N ATOM 2167 CA GLY A 142 -13.945 -11.114 -7.587 1.00 31.52 C ATOM 2168 C GLY A 142 -14.290 -12.196 -8.626 1.00 74.35 C ATOM 2169 O GLY A 142 -15.427 -12.294 -9.081 1.00 24.44 O ATOM 0 H GLY A 142 -12.045 -10.213 -7.626 1.00 63.45 H new ATOM 0 HA2 GLY A 142 -14.502 -11.308 -6.671 1.00 31.52 H new ATOM 0 HA3 GLY A 142 -14.273 -10.144 -7.960 1.00 31.52 H new ATOM 2173 N ARG A 143 -13.270 -12.968 -9.039 1.00 3.13 N ATOM 2174 CA ARG A 143 -13.432 -14.225 -9.781 1.00 73.44 C ATOM 2175 C ARG A 143 -14.052 -15.312 -8.842 1.00 44.32 C ATOM 2176 O ARG A 143 -14.847 -16.150 -9.286 1.00 13.25 O ATOM 2177 CB ARG A 143 -12.035 -14.639 -10.351 1.00 3.13 C ATOM 2178 CG ARG A 143 -12.039 -15.523 -11.629 1.00 21.41 C ATOM 2179 CD ARG A 143 -12.336 -17.012 -11.376 1.00 50.53 C ATOM 2180 NE ARG A 143 -12.159 -17.813 -12.604 1.00 42.34 N ATOM 2181 CZ ARG A 143 -11.508 -18.956 -12.693 1.00 24.51 C ATOM 2182 NH1 ARG A 143 -10.947 -19.499 -11.655 1.00 14.13 N ATOM 2183 NH2 ARG A 143 -11.419 -19.545 -13.836 1.00 23.52 N ATOM 0 H ARG A 143 -12.294 -12.730 -8.862 1.00 3.13 H new ATOM 0 HA ARG A 143 -14.119 -14.108 -10.619 1.00 73.44 H new ATOM 0 HB2 ARG A 143 -11.472 -13.731 -10.567 1.00 3.13 H new ATOM 0 HB3 ARG A 143 -11.493 -15.172 -9.570 1.00 3.13 H new ATOM 0 HG2 ARG A 143 -12.781 -15.131 -12.324 1.00 21.41 H new ATOM 0 HG3 ARG A 143 -11.068 -15.437 -12.117 1.00 21.41 H new ATOM 0 HD2 ARG A 143 -11.675 -17.389 -10.596 1.00 50.53 H new ATOM 0 HD3 ARG A 143 -13.357 -17.124 -11.011 1.00 50.53 H new ATOM 0 HE ARG A 143 -12.578 -17.449 -13.460 1.00 42.34 H new ATOM 0 HH11 ARG A 143 -11.005 -19.040 -10.746 1.00 14.13 H new ATOM 0 HH12 ARG A 143 -10.449 -20.384 -11.749 1.00 14.13 H new ATOM 0 HH21 ARG A 143 -11.850 -19.126 -14.660 1.00 23.52 H new ATOM 0 HH22 ARG A 143 -10.918 -20.430 -13.916 1.00 23.52 H new ATOM 2197 N LEU A 144 -13.688 -15.264 -7.532 1.00 71.15 N ATOM 2198 CA LEU A 144 -14.283 -16.130 -6.477 1.00 44.13 C ATOM 2199 C LEU A 144 -15.699 -15.619 -6.091 1.00 31.13 C ATOM 2200 O LEU A 144 -16.692 -16.332 -6.262 1.00 13.32 O ATOM 2201 CB LEU A 144 -13.383 -16.205 -5.193 1.00 11.34 C ATOM 2202 CG LEU A 144 -11.986 -16.908 -5.317 1.00 21.10 C ATOM 2203 CD1 LEU A 144 -12.110 -18.316 -5.938 1.00 52.10 C ATOM 2204 CD2 LEU A 144 -10.960 -16.035 -6.074 1.00 35.10 C ATOM 0 H LEU A 144 -12.976 -14.625 -7.178 1.00 71.15 H new ATOM 0 HA LEU A 144 -14.355 -17.135 -6.894 1.00 44.13 H new ATOM 0 HB2 LEU A 144 -13.215 -15.187 -4.842 1.00 11.34 H new ATOM 0 HB3 LEU A 144 -13.949 -16.720 -4.417 1.00 11.34 H new ATOM 0 HG LEU A 144 -11.604 -17.034 -4.304 1.00 21.10 H new ATOM 0 HD11 LEU A 144 -11.122 -18.771 -6.008 1.00 52.10 H new ATOM 0 HD12 LEU A 144 -12.751 -18.935 -5.311 1.00 52.10 H new ATOM 0 HD13 LEU A 144 -12.544 -18.237 -6.935 1.00 52.10 H new ATOM 0 HD21 LEU A 144 -10.008 -16.563 -6.135 1.00 35.10 H new ATOM 0 HD22 LEU A 144 -11.327 -15.831 -7.080 1.00 35.10 H new ATOM 0 HD23 LEU A 144 -10.820 -15.094 -5.542 1.00 35.10 H new ATOM 2216 N GLU A 145 -15.770 -14.383 -5.556 1.00 70.54 N ATOM 2217 CA GLU A 145 -17.048 -13.711 -5.211 1.00 21.24 C ATOM 2218 C GLU A 145 -17.435 -12.748 -6.359 1.00 43.54 C ATOM 2219 O GLU A 145 -16.968 -11.607 -6.396 1.00 31.10 O ATOM 2220 CB GLU A 145 -16.913 -12.939 -3.866 1.00 21.00 C ATOM 2221 CG GLU A 145 -16.454 -13.786 -2.660 1.00 34.11 C ATOM 2222 CD GLU A 145 -17.476 -14.832 -2.193 1.00 75.44 C ATOM 2223 OE1 GLU A 145 -18.312 -14.507 -1.327 1.00 44.32 O ATOM 2224 OE2 GLU A 145 -17.435 -15.986 -2.669 1.00 70.31 O ATOM 0 H GLU A 145 -14.945 -13.819 -5.349 1.00 70.54 H new ATOM 0 HA GLU A 145 -17.832 -14.459 -5.087 1.00 21.24 H new ATOM 0 HB2 GLU A 145 -16.205 -12.122 -4.005 1.00 21.00 H new ATOM 0 HB3 GLU A 145 -17.876 -12.489 -3.627 1.00 21.00 H new ATOM 0 HG2 GLU A 145 -15.526 -14.294 -2.921 1.00 34.11 H new ATOM 0 HG3 GLU A 145 -16.229 -13.119 -1.828 1.00 34.11 H new ATOM 2231 N HIS A 146 -18.269 -13.228 -7.300 1.00 55.15 N ATOM 2232 CA HIS A 146 -18.573 -12.508 -8.564 1.00 24.34 C ATOM 2233 C HIS A 146 -19.431 -11.228 -8.336 1.00 43.51 C ATOM 2234 O HIS A 146 -19.403 -10.295 -9.149 1.00 21.44 O ATOM 2235 CB HIS A 146 -19.264 -13.470 -9.563 1.00 43.42 C ATOM 2236 CG HIS A 146 -19.368 -12.941 -10.973 1.00 1.14 C ATOM 2237 ND1 HIS A 146 -18.333 -13.019 -11.873 1.00 62.50 N ATOM 2238 CD2 HIS A 146 -20.381 -12.332 -11.634 1.00 75.14 C ATOM 2239 CE1 HIS A 146 -18.701 -12.491 -13.023 1.00 34.11 C ATOM 2240 NE2 HIS A 146 -19.938 -12.066 -12.906 1.00 42.34 N ATOM 0 H HIS A 146 -18.753 -14.122 -7.212 1.00 55.15 H new ATOM 0 HA HIS A 146 -17.626 -12.169 -8.985 1.00 24.34 H new ATOM 0 HB2 HIS A 146 -18.714 -14.411 -9.581 1.00 43.42 H new ATOM 0 HB3 HIS A 146 -20.266 -13.694 -9.198 1.00 43.42 H new ATOM 0 HD2 HIS A 146 -21.357 -12.099 -11.234 1.00 75.14 H new ATOM 0 HE1 HIS A 146 -18.090 -12.420 -13.910 1.00 34.11 H new ATOM 0 HE2 HIS A 146 -20.481 -11.612 -13.640 1.00 42.34 H new ATOM 2249 N HIS A 147 -20.180 -11.189 -7.222 1.00 30.12 N ATOM 2250 CA HIS A 147 -21.021 -10.034 -6.862 1.00 42.31 C ATOM 2251 C HIS A 147 -20.194 -8.986 -6.073 1.00 3.42 C ATOM 2252 O HIS A 147 -19.818 -9.211 -4.918 1.00 65.54 O ATOM 2253 CB HIS A 147 -22.261 -10.493 -6.054 1.00 43.52 C ATOM 2254 CG HIS A 147 -23.266 -9.400 -5.796 1.00 3.02 C ATOM 2255 ND1 HIS A 147 -23.697 -9.043 -4.535 1.00 43.22 N ATOM 2256 CD2 HIS A 147 -23.930 -8.585 -6.653 1.00 42.14 C ATOM 2257 CE1 HIS A 147 -24.572 -8.065 -4.626 1.00 12.11 C ATOM 2258 NE2 HIS A 147 -24.731 -7.765 -5.897 1.00 54.41 N ATOM 0 H HIS A 147 -20.220 -11.953 -6.548 1.00 30.12 H new ATOM 0 HA HIS A 147 -21.375 -9.562 -7.779 1.00 42.31 H new ATOM 0 HB2 HIS A 147 -22.752 -11.304 -6.592 1.00 43.52 H new ATOM 0 HB3 HIS A 147 -21.929 -10.899 -5.099 1.00 43.52 H new ATOM 0 HD2 HIS A 147 -23.845 -8.582 -7.730 1.00 42.14 H new ATOM 0 HE1 HIS A 147 -25.075 -7.589 -3.797 1.00 12.11 H new ATOM 0 HE2 HIS A 147 -25.349 -7.040 -6.262 1.00 54.41 H new ATOM 2267 N HIS A 148 -19.897 -7.856 -6.739 1.00 73.41 N ATOM 2268 CA HIS A 148 -19.197 -6.698 -6.132 1.00 3.14 C ATOM 2269 C HIS A 148 -19.613 -5.386 -6.841 1.00 21.53 C ATOM 2270 O HIS A 148 -20.007 -4.422 -6.174 1.00 34.10 O ATOM 2271 CB HIS A 148 -17.647 -6.893 -6.117 1.00 35.03 C ATOM 2272 CG HIS A 148 -17.032 -7.460 -7.375 1.00 30.13 C ATOM 2273 ND1 HIS A 148 -16.446 -6.693 -8.352 1.00 10.23 N ATOM 2274 CD2 HIS A 148 -16.879 -8.742 -7.776 1.00 72.23 C ATOM 2275 CE1 HIS A 148 -15.963 -7.477 -9.295 1.00 24.23 C ATOM 2276 NE2 HIS A 148 -16.210 -8.722 -8.971 1.00 34.11 N ATOM 0 H HIS A 148 -20.135 -7.715 -7.721 1.00 73.41 H new ATOM 0 HA HIS A 148 -19.503 -6.627 -5.088 1.00 3.14 H new ATOM 0 HB2 HIS A 148 -17.183 -5.928 -5.914 1.00 35.03 H new ATOM 0 HB3 HIS A 148 -17.393 -7.550 -5.285 1.00 35.03 H new ATOM 0 HD1 HIS A 148 -16.393 -5.674 -8.348 1.00 10.23 H new ATOM 0 HD2 HIS A 148 -17.222 -9.621 -7.250 1.00 72.23 H new ATOM 0 HE1 HIS A 148 -15.449 -7.148 -10.186 1.00 24.23 H new ATOM 2285 N HIS A 149 -19.514 -5.385 -8.191 1.00 41.12 N ATOM 2286 CA HIS A 149 -20.056 -4.327 -9.087 1.00 11.30 C ATOM 2287 C HIS A 149 -19.474 -2.897 -8.841 1.00 23.24 C ATOM 2288 O HIS A 149 -19.667 -2.298 -7.783 1.00 53.23 O ATOM 2289 CB HIS A 149 -21.608 -4.308 -9.011 1.00 31.15 C ATOM 2290 CG HIS A 149 -22.274 -3.311 -9.929 1.00 35.34 C ATOM 2291 ND1 HIS A 149 -22.687 -2.065 -9.510 1.00 2.44 N ATOM 2292 CD2 HIS A 149 -22.589 -3.379 -11.245 1.00 50.21 C ATOM 2293 CE1 HIS A 149 -23.222 -1.417 -10.519 1.00 54.42 C ATOM 2294 NE2 HIS A 149 -23.176 -2.185 -11.585 1.00 74.05 N ATOM 0 H HIS A 149 -19.046 -6.134 -8.702 1.00 41.12 H new ATOM 0 HA HIS A 149 -19.730 -4.596 -10.092 1.00 11.30 H new ATOM 0 HB2 HIS A 149 -21.982 -5.304 -9.247 1.00 31.15 H new ATOM 0 HB3 HIS A 149 -21.905 -4.091 -7.985 1.00 31.15 H new ATOM 0 HD2 HIS A 149 -22.412 -4.216 -11.904 1.00 50.21 H new ATOM 0 HE1 HIS A 149 -23.632 -0.419 -10.480 1.00 54.42 H new ATOM 0 HE2 HIS A 149 -23.520 -1.935 -12.512 1.00 74.05 H new ATOM 2303 N HIS A 150 -18.790 -2.352 -9.860 1.00 61.14 N ATOM 2304 CA HIS A 150 -18.381 -0.926 -9.896 1.00 3.23 C ATOM 2305 C HIS A 150 -18.763 -0.320 -11.273 1.00 51.13 C ATOM 2306 O HIS A 150 -19.862 0.231 -11.417 1.00 61.22 O ATOM 2307 CB HIS A 150 -16.867 -0.759 -9.568 1.00 62.25 C ATOM 2308 CG HIS A 150 -16.525 -1.069 -8.129 1.00 12.23 C ATOM 2309 ND1 HIS A 150 -16.175 -2.325 -7.687 1.00 51.35 N ATOM 2310 CD2 HIS A 150 -16.519 -0.281 -7.027 1.00 44.52 C ATOM 2311 CE1 HIS A 150 -15.979 -2.296 -6.383 1.00 20.31 C ATOM 2312 NE2 HIS A 150 -16.176 -1.072 -5.958 1.00 63.24 N ATOM 0 H HIS A 150 -18.502 -2.881 -10.684 1.00 61.14 H new ATOM 0 HA HIS A 150 -18.915 -0.376 -9.121 1.00 3.23 H new ATOM 0 HB2 HIS A 150 -16.288 -1.413 -10.220 1.00 62.25 H new ATOM 0 HB3 HIS A 150 -16.565 0.264 -9.793 1.00 62.25 H new ATOM 0 HD1 HIS A 150 -16.082 -3.151 -8.278 1.00 51.35 H new ATOM 0 HD2 HIS A 150 -16.743 0.775 -6.995 1.00 44.52 H new ATOM 0 HE1 HIS A 150 -15.702 -3.140 -5.768 1.00 20.31 H new ATOM 2321 N HIS A 151 -17.867 -0.456 -12.281 1.00 3.43 N ATOM 2322 CA HIS A 151 -18.104 -0.019 -13.687 1.00 1.12 C ATOM 2323 C HIS A 151 -16.948 -0.478 -14.598 1.00 4.30 C ATOM 2324 O HIS A 151 -15.781 -0.506 -14.190 1.00 25.22 O ATOM 2325 CB HIS A 151 -18.337 1.526 -13.805 1.00 13.23 C ATOM 2326 CG HIS A 151 -17.291 2.387 -13.135 1.00 1.32 C ATOM 2327 ND1 HIS A 151 -17.433 2.858 -11.846 1.00 3.43 N ATOM 2328 CD2 HIS A 151 -16.104 2.874 -13.576 1.00 23.31 C ATOM 2329 CE1 HIS A 151 -16.388 3.586 -11.525 1.00 15.35 C ATOM 2330 NE2 HIS A 151 -15.569 3.613 -12.550 1.00 53.45 N ATOM 0 H HIS A 151 -16.948 -0.876 -12.143 1.00 3.43 H new ATOM 0 HA HIS A 151 -19.024 -0.498 -14.022 1.00 1.12 H new ATOM 0 HB2 HIS A 151 -18.381 1.791 -14.861 1.00 13.23 H new ATOM 0 HB3 HIS A 151 -19.310 1.764 -13.376 1.00 13.23 H new ATOM 0 HD2 HIS A 151 -15.664 2.711 -14.549 1.00 23.31 H new ATOM 0 HE1 HIS A 151 -16.229 4.079 -10.577 1.00 15.35 H new ATOM 0 HE2 HIS A 151 -14.676 4.105 -12.580 1.00 53.45 H new TER 2339 HIS A 151