USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 486 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 64 HIS : no HD1:sc= -1.22 K(o=-2.5,f=-1.4) USER MOD Set 1.2: A 65 HIS : no HD1:sc= -1.28 K(o=-2.5,f=-0.68) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= -0.188 USER MOD Single : A 10 SER OG : rot 34:sc= 0.175 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.125 K(o=-0.13,f=-1.1) USER MOD Single : A 15 SER OG : rot 60:sc= 1.08 USER MOD Single : A 16 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.53) USER MOD Single : A 17 MET CE :methyl -129:sc=-0.00368 (180deg=-0.0828) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.205 X(o=-0.2,f=-0.04) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.22) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.28 K(o=-0.28,f=-2.2!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 21:sc= 0.233 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -35.280 -18.390 31.348 1.00 0.00 N ATOM 2 CA MET A 1 -36.068 -17.347 31.982 1.00 0.00 C ATOM 3 C MET A 1 -37.505 -17.350 31.457 1.00 0.00 C ATOM 4 O MET A 1 -37.849 -16.566 30.575 1.00 0.00 O ATOM 5 CB MET A 1 -35.427 -15.985 31.708 1.00 0.00 C ATOM 6 CG MET A 1 -35.826 -14.966 32.778 1.00 0.00 C ATOM 7 SD MET A 1 -34.380 -14.098 33.362 1.00 0.00 S ATOM 8 CE MET A 1 -34.711 -14.089 35.116 1.00 0.00 C ATOM 0 H1 MET A 1 -34.309 -18.367 31.721 1.00 0.00 H new ATOM 0 H2 MET A 1 -35.706 -19.317 31.548 1.00 0.00 H new ATOM 0 H3 MET A 1 -35.260 -18.233 30.320 1.00 0.00 H new ATOM 0 HA MET A 1 -36.093 -17.538 33.055 1.00 0.00 H new ATOM 0 HB2 MET A 1 -34.342 -16.088 31.685 1.00 0.00 H new ATOM 0 HB3 MET A 1 -35.734 -15.626 30.726 1.00 0.00 H new ATOM 0 HG2 MET A 1 -36.545 -14.257 32.367 1.00 0.00 H new ATOM 0 HG3 MET A 1 -36.317 -15.472 33.609 1.00 0.00 H new ATOM 0 HE1 MET A 1 -33.900 -13.581 35.637 1.00 0.00 H new ATOM 0 HE2 MET A 1 -35.648 -13.566 35.307 1.00 0.00 H new ATOM 0 HE3 MET A 1 -34.788 -15.115 35.477 1.00 0.00 H new ATOM 18 N GLU A 2 -38.306 -18.242 32.023 1.00 0.00 N ATOM 19 CA GLU A 2 -39.698 -18.358 31.623 1.00 0.00 C ATOM 20 C GLU A 2 -40.406 -17.009 31.769 1.00 0.00 C ATOM 21 O GLU A 2 -40.173 -16.283 32.734 1.00 0.00 O ATOM 22 CB GLU A 2 -40.412 -19.443 32.431 1.00 0.00 C ATOM 23 CG GLU A 2 -40.824 -18.918 33.809 1.00 0.00 C ATOM 24 CD GLU A 2 -40.661 -20.000 34.878 1.00 0.00 C ATOM 25 OE1 GLU A 2 -40.888 -21.187 34.600 1.00 0.00 O ATOM 26 OE2 GLU A 2 -40.283 -19.570 36.035 1.00 0.00 O ATOM 0 H GLU A 2 -38.017 -18.891 32.755 1.00 0.00 H new ATOM 0 HA GLU A 2 -39.731 -18.652 30.574 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -41.294 -19.784 31.889 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -39.756 -20.306 32.548 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -40.217 -18.051 34.068 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -41.861 -18.584 33.780 1.00 0.00 H new ATOM 34 N VAL A 3 -41.256 -16.715 30.796 1.00 0.00 N ATOM 35 CA VAL A 3 -42.000 -15.467 30.804 1.00 0.00 C ATOM 36 C VAL A 3 -43.256 -15.621 29.944 1.00 0.00 C ATOM 37 O VAL A 3 -43.374 -16.576 29.178 1.00 0.00 O ATOM 38 CB VAL A 3 -41.099 -14.318 30.346 1.00 0.00 C ATOM 39 CG1 VAL A 3 -41.901 -13.027 30.175 1.00 0.00 C ATOM 40 CG2 VAL A 3 -39.934 -14.115 31.317 1.00 0.00 C ATOM 0 H VAL A 3 -41.446 -17.320 29.997 1.00 0.00 H new ATOM 0 HA VAL A 3 -42.326 -15.224 31.815 1.00 0.00 H new ATOM 0 HB VAL A 3 -40.683 -14.585 29.374 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -41.237 -12.227 29.849 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -42.680 -13.179 29.428 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -42.358 -12.754 31.126 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -39.309 -13.293 30.969 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -40.323 -13.881 32.308 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -39.339 -15.027 31.367 1.00 0.00 H new ATOM 50 N ALA A 4 -44.161 -14.666 30.099 1.00 0.00 N ATOM 51 CA ALA A 4 -45.404 -14.684 29.347 1.00 0.00 C ATOM 52 C ALA A 4 -45.191 -13.982 28.004 1.00 0.00 C ATOM 53 O ALA A 4 -44.472 -12.987 27.926 1.00 0.00 O ATOM 54 CB ALA A 4 -46.513 -14.033 30.176 1.00 0.00 C ATOM 0 H ALA A 4 -44.058 -13.875 30.734 1.00 0.00 H new ATOM 0 HA ALA A 4 -45.712 -15.709 29.139 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -47.445 -14.047 29.611 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -46.644 -14.586 31.106 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -46.241 -13.002 30.402 1.00 0.00 H new ATOM 60 N MET A 5 -45.830 -14.528 26.979 1.00 0.00 N ATOM 61 CA MET A 5 -45.720 -13.967 25.643 1.00 0.00 C ATOM 62 C MET A 5 -46.559 -12.695 25.512 1.00 0.00 C ATOM 63 O MET A 5 -47.763 -12.713 25.765 1.00 0.00 O ATOM 64 CB MET A 5 -46.191 -14.998 24.616 1.00 0.00 C ATOM 65 CG MET A 5 -45.061 -15.964 24.251 1.00 0.00 C ATOM 66 SD MET A 5 -44.358 -15.512 22.674 1.00 0.00 S ATOM 67 CE MET A 5 -43.754 -17.103 22.136 1.00 0.00 C ATOM 0 H MET A 5 -46.426 -15.353 27.047 1.00 0.00 H new ATOM 0 HA MET A 5 -44.676 -13.711 25.461 1.00 0.00 H new ATOM 0 HB2 MET A 5 -47.036 -15.557 25.018 1.00 0.00 H new ATOM 0 HB3 MET A 5 -46.543 -14.489 23.719 1.00 0.00 H new ATOM 0 HG2 MET A 5 -44.290 -15.943 25.022 1.00 0.00 H new ATOM 0 HG3 MET A 5 -45.443 -16.984 24.209 1.00 0.00 H new ATOM 0 HE1 MET A 5 -43.281 -17.001 21.159 1.00 0.00 H new ATOM 0 HE2 MET A 5 -43.025 -17.477 22.855 1.00 0.00 H new ATOM 0 HE3 MET A 5 -44.586 -17.803 22.065 1.00 0.00 H new ATOM 77 N VAL A 6 -45.891 -11.621 25.117 1.00 0.00 N ATOM 78 CA VAL A 6 -46.561 -10.343 24.949 1.00 0.00 C ATOM 79 C VAL A 6 -46.997 -10.188 23.490 1.00 0.00 C ATOM 80 O VAL A 6 -46.439 -10.829 22.601 1.00 0.00 O ATOM 81 CB VAL A 6 -45.651 -9.209 25.425 1.00 0.00 C ATOM 82 CG1 VAL A 6 -46.465 -7.959 25.767 1.00 0.00 C ATOM 83 CG2 VAL A 6 -44.801 -9.652 26.617 1.00 0.00 C ATOM 0 H VAL A 6 -44.893 -11.610 24.908 1.00 0.00 H new ATOM 0 HA VAL A 6 -47.461 -10.300 25.563 1.00 0.00 H new ATOM 0 HB VAL A 6 -44.976 -8.956 24.607 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -45.794 -7.168 26.103 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -47.007 -7.624 24.882 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -47.175 -8.193 26.560 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -44.163 -8.827 26.936 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -45.453 -9.945 27.440 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -44.180 -10.499 26.326 1.00 0.00 H new ATOM 93 N SER A 7 -47.989 -9.333 23.290 1.00 0.00 N ATOM 94 CA SER A 7 -48.505 -9.085 21.955 1.00 0.00 C ATOM 95 C SER A 7 -49.128 -7.690 21.885 1.00 0.00 C ATOM 96 O SER A 7 -50.160 -7.435 22.504 1.00 0.00 O ATOM 97 CB SER A 7 -49.533 -10.146 21.556 1.00 0.00 C ATOM 98 OG SER A 7 -49.057 -11.468 21.795 1.00 0.00 O ATOM 0 H SER A 7 -48.449 -8.803 24.030 1.00 0.00 H new ATOM 0 HA SER A 7 -47.674 -9.140 21.252 1.00 0.00 H new ATOM 0 HB2 SER A 7 -50.455 -9.986 22.115 1.00 0.00 H new ATOM 0 HB3 SER A 7 -49.778 -10.034 20.500 1.00 0.00 H new ATOM 0 HG SER A 7 -49.743 -12.116 21.529 1.00 0.00 H new ATOM 104 N ALA A 8 -48.475 -6.822 21.125 1.00 0.00 N ATOM 105 CA ALA A 8 -48.952 -5.459 20.967 1.00 0.00 C ATOM 106 C ALA A 8 -50.212 -5.462 20.098 1.00 0.00 C ATOM 107 O ALA A 8 -50.130 -5.616 18.881 1.00 0.00 O ATOM 108 CB ALA A 8 -47.837 -4.594 20.375 1.00 0.00 C ATOM 0 H ALA A 8 -47.620 -7.037 20.612 1.00 0.00 H new ATOM 0 HA ALA A 8 -49.219 -5.031 21.933 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -48.194 -3.571 20.256 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -46.976 -4.602 21.044 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -47.545 -4.992 19.403 1.00 0.00 H new ATOM 114 N GLU A 9 -51.347 -5.290 20.759 1.00 0.00 N ATOM 115 CA GLU A 9 -52.622 -5.271 20.062 1.00 0.00 C ATOM 116 C GLU A 9 -53.696 -4.623 20.939 1.00 0.00 C ATOM 117 O GLU A 9 -53.562 -4.578 22.160 1.00 0.00 O ATOM 118 CB GLU A 9 -53.037 -6.681 19.639 1.00 0.00 C ATOM 119 CG GLU A 9 -53.839 -6.649 18.336 1.00 0.00 C ATOM 120 CD GLU A 9 -54.310 -8.052 17.948 1.00 0.00 C ATOM 121 OE1 GLU A 9 -55.307 -8.545 18.496 1.00 0.00 O ATOM 122 OE2 GLU A 9 -53.602 -8.633 17.040 1.00 0.00 O ATOM 0 H GLU A 9 -51.411 -5.163 21.769 1.00 0.00 H new ATOM 0 HA GLU A 9 -52.510 -4.674 19.157 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -52.150 -7.301 19.509 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -53.634 -7.140 20.427 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -54.700 -5.991 18.451 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -53.225 -6.234 17.537 1.00 0.00 H new ATOM 130 N SER A 10 -54.738 -4.137 20.280 1.00 0.00 N ATOM 131 CA SER A 10 -55.835 -3.494 20.984 1.00 0.00 C ATOM 132 C SER A 10 -57.103 -3.540 20.131 1.00 0.00 C ATOM 133 O SER A 10 -57.163 -2.924 19.068 1.00 0.00 O ATOM 134 CB SER A 10 -55.487 -2.047 21.341 1.00 0.00 C ATOM 135 OG SER A 10 -54.994 -1.324 20.216 1.00 0.00 O ATOM 0 H SER A 10 -54.846 -4.176 19.266 1.00 0.00 H new ATOM 0 HA SER A 10 -56.010 -4.037 21.913 1.00 0.00 H new ATOM 0 HB2 SER A 10 -56.373 -1.547 21.734 1.00 0.00 H new ATOM 0 HB3 SER A 10 -54.739 -2.039 22.134 1.00 0.00 H new ATOM 0 HG SER A 10 -55.442 -1.638 19.403 1.00 0.00 H new ATOM 141 N SER A 11 -58.086 -4.276 20.628 1.00 0.00 N ATOM 142 CA SER A 11 -59.350 -4.411 19.924 1.00 0.00 C ATOM 143 C SER A 11 -59.145 -5.191 18.624 1.00 0.00 C ATOM 144 O SER A 11 -58.013 -5.488 18.247 1.00 0.00 O ATOM 145 CB SER A 11 -59.965 -3.041 19.629 1.00 0.00 C ATOM 146 OG SER A 11 -61.190 -2.844 20.330 1.00 0.00 O ATOM 0 H SER A 11 -58.033 -4.785 21.510 1.00 0.00 H new ATOM 0 HA SER A 11 -60.041 -4.960 20.564 1.00 0.00 H new ATOM 0 HB2 SER A 11 -59.258 -2.259 19.907 1.00 0.00 H new ATOM 0 HB3 SER A 11 -60.141 -2.946 18.558 1.00 0.00 H new ATOM 0 HG SER A 11 -61.550 -1.958 20.117 1.00 0.00 H new ATOM 152 N GLY A 12 -60.258 -5.501 17.975 1.00 0.00 N ATOM 153 CA GLY A 12 -60.214 -6.242 16.726 1.00 0.00 C ATOM 154 C GLY A 12 -59.031 -5.795 15.865 1.00 0.00 C ATOM 155 O GLY A 12 -58.129 -6.584 15.585 1.00 0.00 O ATOM 0 H GLY A 12 -61.196 -5.252 18.291 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -60.134 -7.309 16.935 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -61.144 -6.093 16.178 1.00 0.00 H new ATOM 159 N CYS A 13 -59.071 -4.531 15.469 1.00 0.00 N ATOM 160 CA CYS A 13 -58.014 -3.970 14.646 1.00 0.00 C ATOM 161 C CYS A 13 -58.312 -2.486 14.427 1.00 0.00 C ATOM 162 O CYS A 13 -58.665 -2.076 13.322 1.00 0.00 O ATOM 163 CB CYS A 13 -57.866 -4.724 13.323 1.00 0.00 C ATOM 164 SG CYS A 13 -56.377 -4.142 12.434 1.00 0.00 S ATOM 0 H CYS A 13 -59.820 -3.879 15.703 1.00 0.00 H new ATOM 0 HA CYS A 13 -57.057 -4.076 15.157 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -57.791 -5.795 13.512 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -58.751 -4.570 12.706 1.00 0.00 H new ATOM 0 HG CYS A 13 -56.260 -4.790 11.313 1.00 0.00 H new ATOM 170 N ASN A 14 -58.158 -1.720 15.497 1.00 0.00 N ATOM 171 CA ASN A 14 -58.406 -0.289 15.435 1.00 0.00 C ATOM 172 C ASN A 14 -57.080 0.461 15.572 1.00 0.00 C ATOM 173 O ASN A 14 -57.057 1.618 15.988 1.00 0.00 O ATOM 174 CB ASN A 14 -59.323 0.160 16.575 1.00 0.00 C ATOM 175 CG ASN A 14 -60.679 0.623 16.038 1.00 0.00 C ATOM 176 OD1 ASN A 14 -61.148 0.181 15.002 1.00 0.00 O ATOM 177 ND2 ASN A 14 -61.280 1.533 16.798 1.00 0.00 N ATOM 0 H ASN A 14 -57.865 -2.063 16.412 1.00 0.00 H new ATOM 0 HA ASN A 14 -58.883 -0.070 14.480 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -59.467 -0.662 17.276 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -58.851 0.972 17.128 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -62.190 1.904 16.526 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -60.831 1.860 17.654 1.00 0.00 H new ATOM 184 N SER A 15 -56.007 -0.230 15.214 1.00 0.00 N ATOM 185 CA SER A 15 -54.680 0.356 15.292 1.00 0.00 C ATOM 186 C SER A 15 -53.622 -0.696 14.952 1.00 0.00 C ATOM 187 O SER A 15 -53.263 -1.515 15.795 1.00 0.00 O ATOM 188 CB SER A 15 -54.417 0.943 16.680 1.00 0.00 C ATOM 189 OG SER A 15 -54.635 2.351 16.715 1.00 0.00 O ATOM 0 H SER A 15 -56.030 -1.190 14.869 1.00 0.00 H new ATOM 0 HA SER A 15 -54.622 1.168 14.567 1.00 0.00 H new ATOM 0 HB2 SER A 15 -55.067 0.457 17.408 1.00 0.00 H new ATOM 0 HB3 SER A 15 -53.390 0.728 16.976 1.00 0.00 H new ATOM 0 HG SER A 15 -55.563 2.545 16.467 1.00 0.00 H new ATOM 195 N HIS A 16 -53.154 -0.638 13.713 1.00 0.00 N ATOM 196 CA HIS A 16 -52.145 -1.576 13.251 1.00 0.00 C ATOM 197 C HIS A 16 -50.945 -0.806 12.694 1.00 0.00 C ATOM 198 O HIS A 16 -50.328 -1.233 11.720 1.00 0.00 O ATOM 199 CB HIS A 16 -52.739 -2.559 12.241 1.00 0.00 C ATOM 200 CG HIS A 16 -52.521 -4.011 12.596 1.00 0.00 C ATOM 201 ND1 HIS A 16 -52.545 -4.476 13.899 1.00 0.00 N ATOM 202 CD2 HIS A 16 -52.275 -5.095 11.805 1.00 0.00 C ATOM 203 CE1 HIS A 16 -52.322 -5.782 13.881 1.00 0.00 C ATOM 204 NE2 HIS A 16 -52.155 -6.163 12.583 1.00 0.00 N ATOM 0 H HIS A 16 -53.455 0.043 13.016 1.00 0.00 H new ATOM 0 HA HIS A 16 -51.790 -2.176 14.089 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -53.810 -2.373 12.155 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -52.302 -2.366 11.261 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -52.192 -5.085 10.728 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -52.280 -6.431 14.743 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -51.968 -7.113 12.262 1.00 0.00 H new ATOM 212 N MET A 17 -50.652 0.315 13.337 1.00 0.00 N ATOM 213 CA MET A 17 -49.538 1.148 12.918 1.00 0.00 C ATOM 214 C MET A 17 -48.364 0.293 12.437 1.00 0.00 C ATOM 215 O MET A 17 -47.577 -0.198 13.245 1.00 0.00 O ATOM 216 CB MET A 17 -49.086 2.023 14.088 1.00 0.00 C ATOM 217 CG MET A 17 -49.031 3.497 13.681 1.00 0.00 C ATOM 218 SD MET A 17 -50.440 4.368 14.346 1.00 0.00 S ATOM 219 CE MET A 17 -49.938 4.513 16.053 1.00 0.00 C ATOM 0 H MET A 17 -51.167 0.666 14.145 1.00 0.00 H new ATOM 0 HA MET A 17 -49.870 1.775 12.090 1.00 0.00 H new ATOM 0 HB2 MET A 17 -49.772 1.899 14.926 1.00 0.00 H new ATOM 0 HB3 MET A 17 -48.103 1.700 14.430 1.00 0.00 H new ATOM 0 HG2 MET A 17 -48.109 3.949 14.046 1.00 0.00 H new ATOM 0 HG3 MET A 17 -49.020 3.582 12.594 1.00 0.00 H new ATOM 0 HE1 MET A 17 -50.740 4.157 16.700 1.00 0.00 H new ATOM 0 HE2 MET A 17 -49.043 3.914 16.221 1.00 0.00 H new ATOM 0 HE3 MET A 17 -49.724 5.557 16.282 1.00 0.00 H new ATOM 229 N PRO A 18 -48.281 0.136 11.089 1.00 0.00 N ATOM 230 CA PRO A 18 -47.217 -0.652 10.491 1.00 0.00 C ATOM 231 C PRO A 18 -45.890 0.109 10.518 1.00 0.00 C ATOM 232 O PRO A 18 -45.535 0.781 9.551 1.00 0.00 O ATOM 233 CB PRO A 18 -47.697 -0.957 9.082 1.00 0.00 C ATOM 234 CG PRO A 18 -48.793 0.053 8.787 1.00 0.00 C ATOM 235 CD PRO A 18 -49.196 0.702 10.101 1.00 0.00 C ATOM 0 HA PRO A 18 -47.018 -1.574 11.038 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -46.882 -0.869 8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -48.076 -1.976 9.011 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -48.439 0.806 8.083 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -49.650 -0.438 8.325 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -49.104 1.787 10.052 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -50.234 0.481 10.350 1.00 0.00 H new ATOM 243 N TYR A 19 -45.192 -0.021 11.637 1.00 0.00 N ATOM 244 CA TYR A 19 -43.913 0.646 11.803 1.00 0.00 C ATOM 245 C TYR A 19 -42.778 -0.186 11.202 1.00 0.00 C ATOM 246 O TYR A 19 -42.249 -1.084 11.855 1.00 0.00 O ATOM 247 CB TYR A 19 -43.694 0.770 13.313 1.00 0.00 C ATOM 248 CG TYR A 19 -43.189 2.143 13.758 1.00 0.00 C ATOM 249 CD1 TYR A 19 -43.932 3.274 13.485 1.00 0.00 C ATOM 250 CD2 TYR A 19 -41.991 2.253 14.434 1.00 0.00 C ATOM 251 CE1 TYR A 19 -43.457 4.567 13.904 1.00 0.00 C ATOM 252 CE2 TYR A 19 -41.516 3.546 14.853 1.00 0.00 C ATOM 253 CZ TYR A 19 -42.273 4.639 14.568 1.00 0.00 C ATOM 254 OH TYR A 19 -41.824 5.860 14.963 1.00 0.00 O ATOM 0 H TYR A 19 -45.489 -0.579 12.438 1.00 0.00 H new ATOM 0 HA TYR A 19 -43.917 1.613 11.300 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -44.632 0.556 13.825 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -42.978 0.011 13.629 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -44.870 3.189 12.957 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -41.409 1.369 14.649 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -44.028 5.459 13.695 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -40.580 3.646 15.382 1.00 0.00 H new ATOM 0 HH TYR A 19 -40.967 5.759 15.427 1.00 0.00 H new ATOM 264 N GLY A 20 -42.438 0.143 9.965 1.00 0.00 N ATOM 265 CA GLY A 20 -41.376 -0.563 9.268 1.00 0.00 C ATOM 266 C GLY A 20 -40.016 0.082 9.543 1.00 0.00 C ATOM 267 O GLY A 20 -39.474 -0.046 10.640 1.00 0.00 O ATOM 0 H GLY A 20 -42.879 0.889 9.427 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -41.359 -1.606 9.585 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -41.574 -0.559 8.196 1.00 0.00 H new ATOM 271 N TYR A 21 -39.503 0.763 8.528 1.00 0.00 N ATOM 272 CA TYR A 21 -38.217 1.428 8.647 1.00 0.00 C ATOM 273 C TYR A 21 -38.224 2.433 9.801 1.00 0.00 C ATOM 274 O TYR A 21 -37.168 2.879 10.247 1.00 0.00 O ATOM 275 CB TYR A 21 -38.009 2.182 7.332 1.00 0.00 C ATOM 276 CG TYR A 21 -38.885 3.428 7.184 1.00 0.00 C ATOM 277 CD1 TYR A 21 -38.555 4.587 7.857 1.00 0.00 C ATOM 278 CD2 TYR A 21 -40.004 3.393 6.377 1.00 0.00 C ATOM 279 CE1 TYR A 21 -39.379 5.760 7.717 1.00 0.00 C ATOM 280 CE2 TYR A 21 -40.828 4.565 6.238 1.00 0.00 C ATOM 281 CZ TYR A 21 -40.475 5.691 6.914 1.00 0.00 C ATOM 282 OH TYR A 21 -41.253 6.798 6.782 1.00 0.00 O ATOM 0 H TYR A 21 -39.955 0.868 7.620 1.00 0.00 H new ATOM 0 HA TYR A 21 -37.427 0.703 8.843 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -36.962 2.475 7.255 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -38.213 1.506 6.501 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -37.679 4.614 8.488 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -40.261 2.486 5.850 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -39.132 6.674 8.238 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -41.707 4.550 5.611 1.00 0.00 H new ATOM 0 HH TYR A 21 -41.999 6.603 6.178 1.00 0.00 H new ATOM 292 N ALA A 22 -39.427 2.760 10.252 1.00 0.00 N ATOM 293 CA ALA A 22 -39.585 3.703 11.345 1.00 0.00 C ATOM 294 C ALA A 22 -38.784 3.216 12.554 1.00 0.00 C ATOM 295 O ALA A 22 -38.255 4.021 13.319 1.00 0.00 O ATOM 296 CB ALA A 22 -41.073 3.873 11.662 1.00 0.00 C ATOM 0 H ALA A 22 -40.301 2.388 9.880 1.00 0.00 H new ATOM 0 HA ALA A 22 -39.197 4.682 11.065 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -41.192 4.581 12.482 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -41.592 4.249 10.780 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -41.496 2.910 11.949 1.00 0.00 H new ATOM 302 N ALA A 23 -38.721 1.899 12.690 1.00 0.00 N ATOM 303 CA ALA A 23 -37.993 1.294 13.793 1.00 0.00 C ATOM 304 C ALA A 23 -36.539 1.067 13.375 1.00 0.00 C ATOM 305 O ALA A 23 -35.809 0.328 14.033 1.00 0.00 O ATOM 306 CB ALA A 23 -38.689 -0.002 14.214 1.00 0.00 C ATOM 0 H ALA A 23 -39.162 1.234 12.055 1.00 0.00 H new ATOM 0 HA ALA A 23 -37.987 1.956 14.659 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.143 -0.456 15.041 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.709 0.219 14.530 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.712 -0.693 13.371 1.00 0.00 H new ATOM 312 N GLN A 24 -36.162 1.715 12.282 1.00 0.00 N ATOM 313 CA GLN A 24 -34.808 1.593 11.769 1.00 0.00 C ATOM 314 C GLN A 24 -33.908 2.666 12.384 1.00 0.00 C ATOM 315 O GLN A 24 -32.711 2.712 12.105 1.00 0.00 O ATOM 316 CB GLN A 24 -34.792 1.673 10.241 1.00 0.00 C ATOM 317 CG GLN A 24 -33.606 0.898 9.664 1.00 0.00 C ATOM 318 CD GLN A 24 -34.081 -0.322 8.872 1.00 0.00 C ATOM 319 OE1 GLN A 24 -34.301 -0.269 7.674 1.00 0.00 O ATOM 320 NE2 GLN A 24 -34.227 -1.421 9.608 1.00 0.00 N ATOM 0 H GLN A 24 -36.771 2.326 11.738 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.419 0.615 12.053 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.723 1.270 9.842 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -34.736 2.716 9.928 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -33.021 1.551 9.017 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -32.948 0.578 10.472 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -34.025 -1.396 10.608 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -34.541 -2.288 9.173 1.00 0.00 H new ATOM 329 N ALA A 25 -34.519 3.502 13.211 1.00 0.00 N ATOM 330 CA ALA A 25 -33.787 4.572 13.868 1.00 0.00 C ATOM 331 C ALA A 25 -32.684 3.968 14.740 1.00 0.00 C ATOM 332 O ALA A 25 -31.720 4.649 15.087 1.00 0.00 O ATOM 333 CB ALA A 25 -34.760 5.435 14.674 1.00 0.00 C ATOM 0 H ALA A 25 -35.512 3.460 13.441 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.309 5.219 13.132 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.212 6.238 15.167 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.507 5.863 14.005 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.256 4.820 15.425 1.00 0.00 H new ATOM 339 N ARG A 26 -32.862 2.697 15.069 1.00 0.00 N ATOM 340 CA ARG A 26 -31.894 1.995 15.894 1.00 0.00 C ATOM 341 C ARG A 26 -30.619 1.716 15.094 1.00 0.00 C ATOM 342 O ARG A 26 -29.526 1.675 15.656 1.00 0.00 O ATOM 343 CB ARG A 26 -32.465 0.672 16.408 1.00 0.00 C ATOM 344 CG ARG A 26 -31.857 0.302 17.762 1.00 0.00 C ATOM 345 CD ARG A 26 -32.947 -0.066 18.771 1.00 0.00 C ATOM 346 NE ARG A 26 -32.332 -0.473 20.054 1.00 0.00 N ATOM 347 CZ ARG A 26 -33.034 -0.789 21.163 1.00 0.00 C ATOM 348 NH1 ARG A 26 -34.384 -0.747 21.155 1.00 0.00 N ATOM 349 NH2 ARG A 26 -32.382 -1.140 22.256 1.00 0.00 N ATOM 0 H ARG A 26 -33.662 2.135 14.779 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.660 2.632 16.747 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.548 0.751 16.501 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.264 -0.120 15.686 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -31.172 -0.537 17.640 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -31.272 1.139 18.143 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -33.610 0.785 18.930 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -33.559 -0.878 18.378 1.00 0.00 H new ATOM 0 HE ARG A 26 -31.314 -0.518 20.104 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -34.881 -0.475 20.307 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -34.907 -0.987 21.997 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -31.362 -1.169 22.254 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -32.898 -1.382 23.102 1.00 0.00 H new ATOM 362 N ALA A 27 -30.803 1.530 13.795 1.00 0.00 N ATOM 363 CA ALA A 27 -29.681 1.255 12.913 1.00 0.00 C ATOM 364 C ALA A 27 -28.826 2.516 12.776 1.00 0.00 C ATOM 365 O ALA A 27 -27.612 2.430 12.592 1.00 0.00 O ATOM 366 CB ALA A 27 -30.203 0.755 11.564 1.00 0.00 C ATOM 0 H ALA A 27 -31.711 1.564 13.332 1.00 0.00 H new ATOM 0 HA ALA A 27 -29.048 0.471 13.329 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.362 0.549 10.902 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.780 -0.158 11.713 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.839 1.517 11.115 1.00 0.00 H new ATOM 372 N ARG A 28 -29.491 3.658 12.870 1.00 0.00 N ATOM 373 CA ARG A 28 -28.807 4.934 12.759 1.00 0.00 C ATOM 374 C ARG A 28 -27.780 5.086 13.883 1.00 0.00 C ATOM 375 O ARG A 28 -26.751 5.735 13.705 1.00 0.00 O ATOM 376 CB ARG A 28 -29.798 6.098 12.822 1.00 0.00 C ATOM 377 CG ARG A 28 -29.370 7.234 11.891 1.00 0.00 C ATOM 378 CD ARG A 28 -30.507 8.239 11.693 1.00 0.00 C ATOM 379 NE ARG A 28 -30.101 9.278 10.721 1.00 0.00 N ATOM 380 CZ ARG A 28 -30.715 10.473 10.589 1.00 0.00 C ATOM 381 NH1 ARG A 28 -31.770 10.791 11.369 1.00 0.00 N ATOM 382 NH2 ARG A 28 -30.268 11.326 9.687 1.00 0.00 N ATOM 0 H ARG A 28 -30.497 3.726 13.022 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.300 4.955 11.794 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.792 5.749 12.543 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.866 6.468 13.845 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -28.500 7.742 12.307 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -29.070 6.825 10.926 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -31.400 7.725 11.337 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -30.765 8.702 12.646 1.00 0.00 H new ATOM 0 HE ARG A 28 -29.307 9.079 10.112 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -32.109 10.126 12.064 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -32.228 11.696 11.263 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -29.470 11.078 9.102 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -30.721 12.233 9.574 1.00 0.00 H new ATOM 395 N GLU A 29 -28.096 4.476 15.016 1.00 0.00 N ATOM 396 CA GLU A 29 -27.214 4.535 16.169 1.00 0.00 C ATOM 397 C GLU A 29 -26.085 3.511 16.027 1.00 0.00 C ATOM 398 O GLU A 29 -25.012 3.681 16.603 1.00 0.00 O ATOM 399 CB GLU A 29 -27.993 4.315 17.467 1.00 0.00 C ATOM 400 CG GLU A 29 -28.415 5.649 18.086 1.00 0.00 C ATOM 401 CD GLU A 29 -29.110 5.434 19.432 1.00 0.00 C ATOM 402 OE1 GLU A 29 -28.436 5.300 20.464 1.00 0.00 O ATOM 403 OE2 GLU A 29 -30.399 5.408 19.381 1.00 0.00 O ATOM 0 H GLU A 29 -28.951 3.938 15.160 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.772 5.530 16.213 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -28.876 3.707 17.267 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -27.378 3.760 18.175 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -27.539 6.284 18.222 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -29.086 6.173 17.406 1.00 0.00 H new ATOM 411 N ARG A 30 -26.367 2.471 15.256 1.00 0.00 N ATOM 412 CA ARG A 30 -25.389 1.421 15.030 1.00 0.00 C ATOM 413 C ARG A 30 -24.534 1.745 13.804 1.00 0.00 C ATOM 414 O ARG A 30 -23.377 1.336 13.723 1.00 0.00 O ATOM 415 CB ARG A 30 -26.072 0.067 14.823 1.00 0.00 C ATOM 416 CG ARG A 30 -26.136 -0.721 16.133 1.00 0.00 C ATOM 417 CD ARG A 30 -25.201 -1.931 16.091 1.00 0.00 C ATOM 418 NE ARG A 30 -24.302 -1.917 17.267 1.00 0.00 N ATOM 419 CZ ARG A 30 -23.229 -2.724 17.409 1.00 0.00 C ATOM 420 NH1 ARG A 30 -22.912 -3.618 16.448 1.00 0.00 N ATOM 421 NH2 ARG A 30 -22.494 -2.626 18.502 1.00 0.00 N ATOM 0 H ARG A 30 -27.259 2.333 14.780 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.754 1.364 15.914 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.080 0.219 14.437 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.527 -0.508 14.075 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.861 -0.073 16.965 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -27.159 -1.053 16.312 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -25.784 -2.852 16.080 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -24.613 -1.915 15.173 1.00 0.00 H new ATOM 0 HE ARG A 30 -24.506 -1.256 18.017 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -23.485 -3.687 15.607 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -22.100 -4.224 16.563 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -22.740 -1.948 19.223 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -21.680 -3.228 18.625 1.00 0.00 H new ATOM 434 N GLU A 31 -25.137 2.478 12.879 1.00 0.00 N ATOM 435 CA GLU A 31 -24.445 2.863 11.661 1.00 0.00 C ATOM 436 C GLU A 31 -23.183 3.660 11.996 1.00 0.00 C ATOM 437 O GLU A 31 -22.245 3.708 11.201 1.00 0.00 O ATOM 438 CB GLU A 31 -25.367 3.659 10.735 1.00 0.00 C ATOM 439 CG GLU A 31 -26.243 2.724 9.898 1.00 0.00 C ATOM 440 CD GLU A 31 -26.348 3.218 8.453 1.00 0.00 C ATOM 441 OE1 GLU A 31 -27.352 3.845 8.084 1.00 0.00 O ATOM 442 OE2 GLU A 31 -25.338 2.930 7.704 1.00 0.00 O ATOM 0 H GLU A 31 -26.097 2.815 12.949 1.00 0.00 H new ATOM 0 HA GLU A 31 -24.149 1.957 11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -25.998 4.322 11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -24.770 4.290 10.077 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -25.824 1.718 9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -27.238 2.662 10.338 1.00 0.00 H new ATOM 450 N ARG A 32 -23.200 4.267 13.174 1.00 0.00 N ATOM 451 CA ARG A 32 -22.069 5.060 13.623 1.00 0.00 C ATOM 452 C ARG A 32 -20.812 4.192 13.707 1.00 0.00 C ATOM 453 O ARG A 32 -19.700 4.685 13.524 1.00 0.00 O ATOM 454 CB ARG A 32 -22.343 5.682 14.994 1.00 0.00 C ATOM 455 CG ARG A 32 -21.960 7.164 15.010 1.00 0.00 C ATOM 456 CD ARG A 32 -22.966 7.998 14.214 1.00 0.00 C ATOM 457 NE ARG A 32 -22.930 9.405 14.671 1.00 0.00 N ATOM 458 CZ ARG A 32 -23.457 9.837 15.836 1.00 0.00 C ATOM 459 NH1 ARG A 32 -24.067 8.972 16.675 1.00 0.00 N ATOM 460 NH2 ARG A 32 -23.367 11.117 16.144 1.00 0.00 N ATOM 0 H ARG A 32 -23.979 4.225 13.831 1.00 0.00 H new ATOM 0 HA ARG A 32 -21.915 5.859 12.898 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.399 5.573 15.243 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -21.779 5.148 15.759 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -21.919 7.522 16.039 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -20.963 7.290 14.588 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -22.733 7.946 13.150 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -23.969 7.591 14.341 1.00 0.00 H new ATOM 0 HE ARG A 32 -22.478 10.092 14.067 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -24.132 7.984 16.430 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -24.463 9.307 17.554 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -22.904 11.764 15.505 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -23.760 11.459 17.021 1.00 0.00 H new ATOM 473 N LEU A 33 -21.030 2.915 13.984 1.00 0.00 N ATOM 474 CA LEU A 33 -19.929 1.974 14.094 1.00 0.00 C ATOM 475 C LEU A 33 -19.648 1.362 12.720 1.00 0.00 C ATOM 476 O LEU A 33 -18.608 0.736 12.516 1.00 0.00 O ATOM 477 CB LEU A 33 -20.217 0.937 15.181 1.00 0.00 C ATOM 478 CG LEU A 33 -19.144 0.782 16.261 1.00 0.00 C ATOM 479 CD1 LEU A 33 -17.822 0.304 15.656 1.00 0.00 C ATOM 480 CD2 LEU A 33 -18.975 2.078 17.056 1.00 0.00 C ATOM 0 H LEU A 33 -21.954 2.510 14.136 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.020 2.487 14.408 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.157 1.200 15.666 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.365 -0.031 14.702 1.00 0.00 H new ATOM 0 HG LEU A 33 -19.473 0.015 16.962 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.077 0.202 16.445 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.971 -0.661 15.171 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.475 1.030 14.921 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -18.207 1.941 17.817 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -18.679 2.882 16.382 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -19.919 2.336 17.536 1.00 0.00 H new ATOM 492 N ALA A 34 -20.592 1.564 11.813 1.00 0.00 N ATOM 493 CA ALA A 34 -20.458 1.040 10.464 1.00 0.00 C ATOM 494 C ALA A 34 -19.591 1.990 9.636 1.00 0.00 C ATOM 495 O ALA A 34 -19.415 1.789 8.435 1.00 0.00 O ATOM 496 CB ALA A 34 -21.847 0.839 9.855 1.00 0.00 C ATOM 0 H ALA A 34 -21.453 2.083 11.985 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.963 0.069 10.477 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.747 0.446 8.843 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -22.413 0.134 10.464 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.372 1.794 9.823 1.00 0.00 H new ATOM 502 N HIS A 35 -19.071 3.005 10.311 1.00 0.00 N ATOM 503 CA HIS A 35 -18.226 3.987 9.652 1.00 0.00 C ATOM 504 C HIS A 35 -16.764 3.543 9.734 1.00 0.00 C ATOM 505 O HIS A 35 -15.903 4.101 9.056 1.00 0.00 O ATOM 506 CB HIS A 35 -18.456 5.381 10.238 1.00 0.00 C ATOM 507 CG HIS A 35 -19.174 6.328 9.305 1.00 0.00 C ATOM 508 ND1 HIS A 35 -18.991 7.699 9.343 1.00 0.00 N ATOM 509 CD2 HIS A 35 -20.075 6.087 8.311 1.00 0.00 C ATOM 510 CE1 HIS A 35 -19.754 8.249 8.409 1.00 0.00 C ATOM 511 NE2 HIS A 35 -20.425 7.247 7.771 1.00 0.00 N ATOM 0 H HIS A 35 -19.218 3.169 11.307 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.491 4.052 8.597 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.033 5.287 11.158 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -17.493 5.814 10.508 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -20.442 5.116 8.013 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -19.831 9.304 8.191 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -21.087 7.370 7.005 1.00 0.00 H new ATOM 519 N SER A 36 -16.529 2.543 10.571 1.00 0.00 N ATOM 520 CA SER A 36 -15.186 2.018 10.750 1.00 0.00 C ATOM 521 C SER A 36 -14.929 0.886 9.753 1.00 0.00 C ATOM 522 O SER A 36 -13.779 0.550 9.473 1.00 0.00 O ATOM 523 CB SER A 36 -14.976 1.521 12.182 1.00 0.00 C ATOM 524 OG SER A 36 -13.654 1.029 12.388 1.00 0.00 O ATOM 0 H SER A 36 -17.246 2.083 11.132 1.00 0.00 H new ATOM 0 HA SER A 36 -14.476 2.824 10.565 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.173 2.334 12.881 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.695 0.731 12.401 1.00 0.00 H new ATOM 0 HG SER A 36 -13.560 0.723 13.314 1.00 0.00 H new ATOM 530 N ARG A 37 -16.018 0.330 9.245 1.00 0.00 N ATOM 531 CA ARG A 37 -15.925 -0.757 8.284 1.00 0.00 C ATOM 532 C ARG A 37 -15.875 -0.203 6.859 1.00 0.00 C ATOM 533 O ARG A 37 -16.015 -0.952 5.893 1.00 0.00 O ATOM 534 CB ARG A 37 -17.116 -1.709 8.413 1.00 0.00 C ATOM 535 CG ARG A 37 -16.665 -3.168 8.315 1.00 0.00 C ATOM 536 CD ARG A 37 -16.276 -3.715 9.690 1.00 0.00 C ATOM 537 NE ARG A 37 -17.434 -4.396 10.309 1.00 0.00 N ATOM 538 CZ ARG A 37 -18.036 -5.488 9.791 1.00 0.00 C ATOM 539 NH1 ARG A 37 -17.594 -6.032 8.637 1.00 0.00 N ATOM 540 NH2 ARG A 37 -19.064 -6.016 10.429 1.00 0.00 N ATOM 0 H ARG A 37 -16.970 0.611 9.480 1.00 0.00 H new ATOM 0 HA ARG A 37 -15.009 -1.309 8.495 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.617 -1.543 9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.843 -1.496 7.629 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -17.467 -3.773 7.893 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.816 -3.245 7.635 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.444 -4.412 9.591 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.936 -2.902 10.331 1.00 0.00 H new ATOM 0 HE ARG A 37 -17.801 -4.017 11.182 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -16.799 -5.618 8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.055 -6.857 8.253 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -19.393 -5.599 11.300 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -19.530 -6.841 10.051 1.00 0.00 H new ATOM 553 N ALA A 38 -15.675 1.104 6.773 1.00 0.00 N ATOM 554 CA ALA A 38 -15.605 1.767 5.482 1.00 0.00 C ATOM 555 C ALA A 38 -14.507 1.115 4.638 1.00 0.00 C ATOM 556 O ALA A 38 -14.783 0.561 3.575 1.00 0.00 O ATOM 557 CB ALA A 38 -15.369 3.264 5.689 1.00 0.00 C ATOM 0 H ALA A 38 -15.559 1.722 7.576 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.546 1.657 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.316 3.761 4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.190 3.685 6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -14.432 3.414 6.225 1.00 0.00 H new ATOM 563 N ALA A 39 -13.286 1.203 5.144 1.00 0.00 N ATOM 564 CA ALA A 39 -12.146 0.629 4.449 1.00 0.00 C ATOM 565 C ALA A 39 -12.015 -0.848 4.827 1.00 0.00 C ATOM 566 O ALA A 39 -11.074 -1.236 5.517 1.00 0.00 O ATOM 567 CB ALA A 39 -10.886 1.430 4.787 1.00 0.00 C ATOM 0 H ALA A 39 -13.061 1.663 6.026 1.00 0.00 H new ATOM 0 HA ALA A 39 -12.288 0.683 3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.031 1.000 4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.018 2.466 4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.711 1.396 5.862 1.00 0.00 H new ATOM 573 N ALA A 40 -12.974 -1.633 4.357 1.00 0.00 N ATOM 574 CA ALA A 40 -12.979 -3.059 4.636 1.00 0.00 C ATOM 575 C ALA A 40 -12.163 -3.786 3.565 1.00 0.00 C ATOM 576 O ALA A 40 -11.106 -4.344 3.857 1.00 0.00 O ATOM 577 CB ALA A 40 -14.422 -3.560 4.710 1.00 0.00 C ATOM 0 H ALA A 40 -13.753 -1.308 3.785 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.514 -3.263 5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.425 -4.630 4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.950 -3.033 5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.921 -3.375 3.759 1.00 0.00 H new ATOM 583 N ALA A 41 -12.685 -3.757 2.348 1.00 0.00 N ATOM 584 CA ALA A 41 -12.019 -4.407 1.232 1.00 0.00 C ATOM 585 C ALA A 41 -11.538 -5.793 1.668 1.00 0.00 C ATOM 586 O ALA A 41 -10.352 -6.103 1.565 1.00 0.00 O ATOM 587 CB ALA A 41 -10.874 -3.522 0.736 1.00 0.00 C ATOM 0 H ALA A 41 -13.562 -3.293 2.110 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.709 -4.544 0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.374 -4.009 -0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.272 -2.560 0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.159 -3.365 1.544 1.00 0.00 H new ATOM 593 N ALA A 42 -12.483 -6.589 2.145 1.00 0.00 N ATOM 594 CA ALA A 42 -12.171 -7.934 2.596 1.00 0.00 C ATOM 595 C ALA A 42 -12.893 -8.947 1.706 1.00 0.00 C ATOM 596 O ALA A 42 -12.253 -9.715 0.988 1.00 0.00 O ATOM 597 CB ALA A 42 -12.551 -8.079 4.071 1.00 0.00 C ATOM 0 H ALA A 42 -13.465 -6.328 2.229 1.00 0.00 H new ATOM 0 HA ALA A 42 -11.101 -8.127 2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.317 -9.088 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.989 -7.358 4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.618 -7.894 4.192 1.00 0.00 H new ATOM 603 N ALA A 43 -14.215 -8.916 1.781 1.00 0.00 N ATOM 604 CA ALA A 43 -15.031 -9.822 0.990 1.00 0.00 C ATOM 605 C ALA A 43 -14.548 -9.801 -0.462 1.00 0.00 C ATOM 606 O ALA A 43 -14.765 -10.756 -1.206 1.00 0.00 O ATOM 607 CB ALA A 43 -16.504 -9.429 1.121 1.00 0.00 C ATOM 0 H ALA A 43 -14.742 -8.278 2.377 1.00 0.00 H new ATOM 0 HA ALA A 43 -14.933 -10.844 1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -17.116 -10.108 0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -16.805 -9.489 2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -16.642 -8.409 0.762 1.00 0.00 H new ATOM 613 N VAL A 44 -13.904 -8.701 -0.821 1.00 0.00 N ATOM 614 CA VAL A 44 -13.389 -8.542 -2.171 1.00 0.00 C ATOM 615 C VAL A 44 -11.915 -8.954 -2.201 1.00 0.00 C ATOM 616 O VAL A 44 -11.426 -9.447 -3.216 1.00 0.00 O ATOM 617 CB VAL A 44 -13.619 -7.109 -2.654 1.00 0.00 C ATOM 618 CG1 VAL A 44 -12.379 -6.564 -3.365 1.00 0.00 C ATOM 619 CG2 VAL A 44 -14.850 -7.027 -3.559 1.00 0.00 C ATOM 0 H VAL A 44 -13.727 -7.911 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 44 -13.923 -9.193 -2.863 1.00 0.00 H new ATOM 0 HB VAL A 44 -13.804 -6.486 -1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.570 -5.544 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.533 -6.569 -2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.149 -7.190 -4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.991 -5.998 -3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -14.707 -7.670 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -15.730 -7.355 -3.006 1.00 0.00 H new ATOM 629 N ALA A 45 -11.250 -8.735 -1.077 1.00 0.00 N ATOM 630 CA ALA A 45 -9.842 -9.077 -0.962 1.00 0.00 C ATOM 631 C ALA A 45 -9.596 -10.434 -1.624 1.00 0.00 C ATOM 632 O ALA A 45 -8.809 -10.537 -2.564 1.00 0.00 O ATOM 633 CB ALA A 45 -9.432 -9.065 0.512 1.00 0.00 C ATOM 0 H ALA A 45 -11.659 -8.325 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.225 -8.341 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.376 -9.322 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.599 -8.072 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.028 -9.793 1.061 1.00 0.00 H new ATOM 639 N ALA A 46 -10.283 -11.443 -1.107 1.00 0.00 N ATOM 640 CA ALA A 46 -10.148 -12.789 -1.636 1.00 0.00 C ATOM 641 C ALA A 46 -10.515 -12.788 -3.122 1.00 0.00 C ATOM 642 O ALA A 46 -9.706 -13.169 -3.965 1.00 0.00 O ATOM 643 CB ALA A 46 -11.019 -13.748 -0.821 1.00 0.00 C ATOM 0 H ALA A 46 -10.935 -11.355 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.117 -13.133 -1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.918 -14.758 -1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.699 -13.734 0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.061 -13.436 -0.885 1.00 0.00 H new ATOM 649 N ALA A 47 -11.737 -12.354 -3.396 1.00 0.00 N ATOM 650 CA ALA A 47 -12.221 -12.297 -4.765 1.00 0.00 C ATOM 651 C ALA A 47 -11.342 -11.341 -5.573 1.00 0.00 C ATOM 652 O ALA A 47 -10.358 -10.812 -5.059 1.00 0.00 O ATOM 653 CB ALA A 47 -13.693 -11.880 -4.769 1.00 0.00 C ATOM 0 H ALA A 47 -12.406 -12.039 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.159 -13.278 -5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.056 -11.837 -5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.279 -12.607 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.794 -10.898 -4.307 1.00 0.00 H new ATOM 659 N THR A 48 -11.729 -11.149 -6.826 1.00 0.00 N ATOM 660 CA THR A 48 -10.988 -10.266 -7.711 1.00 0.00 C ATOM 661 C THR A 48 -9.562 -10.783 -7.910 1.00 0.00 C ATOM 662 O THR A 48 -8.678 -10.505 -7.100 1.00 0.00 O ATOM 663 CB THR A 48 -11.046 -8.853 -7.125 1.00 0.00 C ATOM 664 OG1 THR A 48 -12.375 -8.418 -7.398 1.00 0.00 O ATOM 665 CG2 THR A 48 -10.165 -7.865 -7.893 1.00 0.00 C ATOM 0 H THR A 48 -12.546 -11.590 -7.249 1.00 0.00 H new ATOM 0 HA THR A 48 -11.432 -10.240 -8.706 1.00 0.00 H new ATOM 0 HB THR A 48 -10.736 -8.880 -6.080 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.500 -7.510 -7.050 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.242 -6.878 -7.437 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.128 -8.200 -7.860 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.496 -7.812 -8.930 1.00 0.00 H new ATOM 673 N ALA A 49 -9.382 -11.527 -8.991 1.00 0.00 N ATOM 674 CA ALA A 49 -8.079 -12.086 -9.307 1.00 0.00 C ATOM 675 C ALA A 49 -7.022 -10.983 -9.224 1.00 0.00 C ATOM 676 O ALA A 49 -7.354 -9.812 -9.046 1.00 0.00 O ATOM 677 CB ALA A 49 -8.126 -12.746 -10.686 1.00 0.00 C ATOM 0 H ALA A 49 -10.118 -11.756 -9.660 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.808 -12.858 -8.586 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.148 -13.165 -10.922 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.871 -13.542 -10.683 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.393 -12.002 -11.437 1.00 0.00 H new ATOM 683 N ALA A 50 -5.770 -11.396 -9.357 1.00 0.00 N ATOM 684 CA ALA A 50 -4.662 -10.457 -9.300 1.00 0.00 C ATOM 685 C ALA A 50 -4.449 -9.842 -10.684 1.00 0.00 C ATOM 686 O ALA A 50 -3.328 -9.819 -11.191 1.00 0.00 O ATOM 687 CB ALA A 50 -3.413 -11.172 -8.781 1.00 0.00 C ATOM 0 H ALA A 50 -5.498 -12.368 -9.504 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.883 -9.644 -8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.582 -10.468 -8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.607 -11.565 -7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.159 -11.993 -9.451 1.00 0.00 H new ATOM 693 N VAL A 51 -5.542 -9.358 -11.257 1.00 0.00 N ATOM 694 CA VAL A 51 -5.488 -8.744 -12.573 1.00 0.00 C ATOM 695 C VAL A 51 -4.666 -9.630 -13.511 1.00 0.00 C ATOM 696 O VAL A 51 -3.733 -9.157 -14.158 1.00 0.00 O ATOM 697 CB VAL A 51 -4.941 -7.319 -12.464 1.00 0.00 C ATOM 698 CG1 VAL A 51 -3.517 -7.321 -11.902 1.00 0.00 C ATOM 699 CG2 VAL A 51 -4.996 -6.606 -13.816 1.00 0.00 C ATOM 0 H VAL A 51 -6.470 -9.379 -10.834 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.489 -8.662 -12.997 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.575 -6.768 -11.769 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.151 -6.296 -11.834 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.518 -7.772 -10.910 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.867 -7.896 -12.561 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.602 -5.595 -13.711 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.397 -7.156 -14.542 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.029 -6.558 -14.160 1.00 0.00 H new ATOM 709 N GLU A 52 -5.043 -10.900 -13.555 1.00 0.00 N ATOM 710 CA GLU A 52 -4.353 -11.856 -14.403 1.00 0.00 C ATOM 711 C GLU A 52 -5.335 -12.506 -15.379 1.00 0.00 C ATOM 712 O GLU A 52 -6.492 -12.743 -15.035 1.00 0.00 O ATOM 713 CB GLU A 52 -3.632 -12.913 -13.564 1.00 0.00 C ATOM 714 CG GLU A 52 -2.725 -13.782 -14.438 1.00 0.00 C ATOM 715 CD GLU A 52 -1.330 -13.909 -13.822 1.00 0.00 C ATOM 716 OE1 GLU A 52 -0.465 -13.055 -14.065 1.00 0.00 O ATOM 717 OE2 GLU A 52 -1.160 -14.940 -13.066 1.00 0.00 O ATOM 0 H GLU A 52 -5.818 -11.288 -13.017 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.598 -11.322 -14.980 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.039 -12.426 -12.790 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.364 -13.541 -13.056 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.166 -14.772 -14.555 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.648 -13.347 -15.434 1.00 0.00 H new ATOM 725 N GLY A 53 -4.838 -12.777 -16.577 1.00 0.00 N ATOM 726 CA GLY A 53 -5.658 -13.395 -17.605 1.00 0.00 C ATOM 727 C GLY A 53 -4.854 -13.617 -18.888 1.00 0.00 C ATOM 728 O GLY A 53 -4.872 -12.780 -19.789 1.00 0.00 O ATOM 0 H GLY A 53 -3.878 -12.580 -16.859 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.043 -14.348 -17.244 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.520 -12.762 -17.817 1.00 0.00 H new ATOM 732 N THR A 54 -4.168 -14.750 -18.929 1.00 0.00 N ATOM 733 CA THR A 54 -3.359 -15.092 -20.086 1.00 0.00 C ATOM 734 C THR A 54 -3.134 -16.604 -20.151 1.00 0.00 C ATOM 735 O THR A 54 -2.516 -17.182 -19.258 1.00 0.00 O ATOM 736 CB THR A 54 -2.060 -14.287 -20.011 1.00 0.00 C ATOM 737 OG1 THR A 54 -1.147 -15.023 -20.821 1.00 0.00 O ATOM 738 CG2 THR A 54 -1.431 -14.321 -18.616 1.00 0.00 C ATOM 0 H THR A 54 -4.156 -15.442 -18.180 1.00 0.00 H new ATOM 0 HA THR A 54 -3.867 -14.830 -21.014 1.00 0.00 H new ATOM 0 HB THR A 54 -2.257 -13.254 -20.296 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.278 -14.570 -20.829 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.512 -13.735 -18.617 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.129 -13.901 -17.892 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.203 -15.352 -18.345 1.00 0.00 H new ATOM 746 N GLY A 55 -3.647 -17.202 -21.216 1.00 0.00 N ATOM 747 CA GLY A 55 -3.510 -18.636 -21.409 1.00 0.00 C ATOM 748 C GLY A 55 -3.047 -18.956 -22.831 1.00 0.00 C ATOM 749 O GLY A 55 -2.876 -18.054 -23.650 1.00 0.00 O ATOM 0 H GLY A 55 -4.159 -16.719 -21.955 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.794 -19.036 -20.691 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.464 -19.125 -21.215 1.00 0.00 H new ATOM 753 N GLY A 56 -2.857 -20.243 -23.082 1.00 0.00 N ATOM 754 CA GLY A 56 -2.418 -20.694 -24.392 1.00 0.00 C ATOM 755 C GLY A 56 -1.599 -21.982 -24.282 1.00 0.00 C ATOM 756 O GLY A 56 -0.372 -21.950 -24.362 1.00 0.00 O ATOM 0 H GLY A 56 -2.999 -20.988 -22.400 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.284 -20.863 -25.032 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.819 -19.917 -24.866 1.00 0.00 H new ATOM 760 N SER A 57 -2.312 -23.084 -24.101 1.00 0.00 N ATOM 761 CA SER A 57 -1.667 -24.380 -23.980 1.00 0.00 C ATOM 762 C SER A 57 -1.007 -24.762 -25.306 1.00 0.00 C ATOM 763 O SER A 57 -1.505 -24.413 -26.375 1.00 0.00 O ATOM 764 CB SER A 57 -2.669 -25.456 -23.557 1.00 0.00 C ATOM 765 OG SER A 57 -3.604 -25.751 -24.591 1.00 0.00 O ATOM 0 H SER A 57 -3.330 -23.106 -24.035 1.00 0.00 H new ATOM 0 HA SER A 57 -0.901 -24.310 -23.207 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.132 -26.364 -23.284 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.205 -25.123 -22.668 1.00 0.00 H new ATOM 0 HG SER A 57 -4.225 -26.443 -24.283 1.00 0.00 H new ATOM 771 N GLY A 58 0.105 -25.474 -25.194 1.00 0.00 N ATOM 772 CA GLY A 58 0.839 -25.907 -26.370 1.00 0.00 C ATOM 773 C GLY A 58 2.333 -26.038 -26.067 1.00 0.00 C ATOM 774 O GLY A 58 2.826 -25.467 -25.096 1.00 0.00 O ATOM 0 H GLY A 58 0.515 -25.762 -24.306 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.449 -26.865 -26.714 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.690 -25.193 -27.180 1.00 0.00 H new ATOM 778 N GLY A 59 3.012 -26.795 -26.917 1.00 0.00 N ATOM 779 CA GLY A 59 4.440 -27.009 -26.752 1.00 0.00 C ATOM 780 C GLY A 59 5.205 -26.601 -28.013 1.00 0.00 C ATOM 781 O GLY A 59 6.060 -25.718 -27.967 1.00 0.00 O ATOM 0 H GLY A 59 2.600 -27.267 -27.722 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.802 -26.433 -25.900 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.631 -28.059 -26.530 1.00 0.00 H new ATOM 785 N GLY A 60 4.869 -27.264 -29.110 1.00 0.00 N ATOM 786 CA GLY A 60 5.514 -26.982 -30.382 1.00 0.00 C ATOM 787 C GLY A 60 6.336 -28.181 -30.858 1.00 0.00 C ATOM 788 O GLY A 60 7.538 -28.254 -30.605 1.00 0.00 O ATOM 0 H GLY A 60 4.159 -27.995 -29.145 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.760 -26.734 -31.129 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.161 -26.111 -30.280 1.00 0.00 H new ATOM 792 N PRO A 61 5.638 -29.116 -31.556 1.00 0.00 N ATOM 793 CA PRO A 61 6.291 -30.308 -32.070 1.00 0.00 C ATOM 794 C PRO A 61 7.146 -29.980 -33.296 1.00 0.00 C ATOM 795 O PRO A 61 6.669 -29.353 -34.240 1.00 0.00 O ATOM 796 CB PRO A 61 5.159 -31.275 -32.377 1.00 0.00 C ATOM 797 CG PRO A 61 3.900 -30.429 -32.464 1.00 0.00 C ATOM 798 CD PRO A 61 4.214 -29.063 -31.875 1.00 0.00 C ATOM 0 HA PRO A 61 6.989 -30.746 -31.356 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.340 -31.803 -33.313 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.069 -32.031 -31.597 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.576 -30.332 -33.500 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.084 -30.902 -31.918 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.997 -28.266 -32.586 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.616 -28.868 -30.985 1.00 0.00 H new ATOM 806 N HIS A 62 8.395 -30.418 -33.241 1.00 0.00 N ATOM 807 CA HIS A 62 9.321 -30.179 -34.334 1.00 0.00 C ATOM 808 C HIS A 62 9.438 -31.440 -35.193 1.00 0.00 C ATOM 809 O HIS A 62 9.821 -32.499 -34.699 1.00 0.00 O ATOM 810 CB HIS A 62 10.673 -29.695 -33.806 1.00 0.00 C ATOM 811 CG HIS A 62 11.496 -30.774 -33.144 1.00 0.00 C ATOM 812 ND1 HIS A 62 11.319 -31.147 -31.823 1.00 0.00 N ATOM 813 CD2 HIS A 62 12.501 -31.555 -33.633 1.00 0.00 C ATOM 814 CE1 HIS A 62 12.184 -32.110 -31.541 1.00 0.00 C ATOM 815 NE2 HIS A 62 12.916 -32.361 -32.664 1.00 0.00 N ATOM 0 H HIS A 62 8.787 -30.937 -32.456 1.00 0.00 H new ATOM 0 HA HIS A 62 8.938 -29.381 -34.970 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.244 -29.273 -34.633 1.00 0.00 H new ATOM 0 HB3 HIS A 62 10.505 -28.890 -33.090 1.00 0.00 H new ATOM 0 HD2 HIS A 62 12.893 -31.523 -34.639 1.00 0.00 H new ATOM 0 HE1 HIS A 62 12.291 -32.609 -30.589 1.00 0.00 H new ATOM 0 HE2 HIS A 62 13.660 -33.054 -32.746 1.00 0.00 H new ATOM 823 N HIS A 63 9.100 -31.284 -36.465 1.00 0.00 N ATOM 824 CA HIS A 63 9.162 -32.397 -37.397 1.00 0.00 C ATOM 825 C HIS A 63 10.414 -33.230 -37.119 1.00 0.00 C ATOM 826 O HIS A 63 11.499 -32.683 -36.932 1.00 0.00 O ATOM 827 CB HIS A 63 9.089 -31.900 -38.842 1.00 0.00 C ATOM 828 CG HIS A 63 8.210 -32.740 -39.737 1.00 0.00 C ATOM 829 ND1 HIS A 63 8.716 -33.545 -40.743 1.00 0.00 N ATOM 830 CD2 HIS A 63 6.855 -32.893 -39.767 1.00 0.00 C ATOM 831 CE1 HIS A 63 7.702 -34.149 -41.345 1.00 0.00 C ATOM 832 NE2 HIS A 63 6.549 -33.743 -40.739 1.00 0.00 N ATOM 0 H HIS A 63 8.783 -30.404 -36.872 1.00 0.00 H new ATOM 0 HA HIS A 63 8.298 -33.045 -37.253 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.718 -30.875 -38.844 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.096 -31.876 -39.258 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.150 -32.405 -39.110 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.775 -34.841 -42.171 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.607 -34.043 -40.991 1.00 0.00 H new ATOM 840 N HIS A 64 10.222 -34.541 -37.101 1.00 0.00 N ATOM 841 CA HIS A 64 11.322 -35.456 -36.849 1.00 0.00 C ATOM 842 C HIS A 64 11.249 -36.629 -37.829 1.00 0.00 C ATOM 843 O HIS A 64 10.164 -37.117 -38.139 1.00 0.00 O ATOM 844 CB HIS A 64 11.332 -35.905 -35.387 1.00 0.00 C ATOM 845 CG HIS A 64 12.441 -36.872 -35.048 1.00 0.00 C ATOM 846 ND1 HIS A 64 12.407 -38.208 -35.408 1.00 0.00 N ATOM 847 CD2 HIS A 64 13.616 -36.682 -34.381 1.00 0.00 C ATOM 848 CE1 HIS A 64 13.515 -38.787 -34.971 1.00 0.00 C ATOM 849 NE2 HIS A 64 14.263 -37.840 -34.334 1.00 0.00 N ATOM 0 H HIS A 64 9.320 -34.991 -37.257 1.00 0.00 H new ATOM 0 HA HIS A 64 12.270 -34.945 -37.018 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.423 -35.026 -34.749 1.00 0.00 H new ATOM 0 HB3 HIS A 64 10.374 -36.371 -35.154 1.00 0.00 H new ATOM 0 HD2 HIS A 64 13.961 -35.748 -33.962 1.00 0.00 H new ATOM 0 HE1 HIS A 64 13.780 -39.826 -35.097 1.00 0.00 H new ATOM 0 HE2 HIS A 64 15.170 -37.996 -33.894 1.00 0.00 H new ATOM 857 N HIS A 65 12.419 -37.047 -38.290 1.00 0.00 N ATOM 858 CA HIS A 65 12.502 -38.154 -39.228 1.00 0.00 C ATOM 859 C HIS A 65 11.771 -37.786 -40.521 1.00 0.00 C ATOM 860 O HIS A 65 10.547 -37.878 -40.594 1.00 0.00 O ATOM 861 CB HIS A 65 11.975 -39.443 -38.595 1.00 0.00 C ATOM 862 CG HIS A 65 13.055 -40.344 -38.047 1.00 0.00 C ATOM 863 ND1 HIS A 65 12.864 -41.698 -37.830 1.00 0.00 N ATOM 864 CD2 HIS A 65 14.339 -40.072 -37.674 1.00 0.00 C ATOM 865 CE1 HIS A 65 13.988 -42.207 -37.348 1.00 0.00 C ATOM 866 NE2 HIS A 65 14.901 -41.198 -37.252 1.00 0.00 N ATOM 0 H HIS A 65 13.317 -36.639 -38.031 1.00 0.00 H new ATOM 0 HA HIS A 65 13.545 -38.343 -39.482 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.288 -39.185 -37.789 1.00 0.00 H new ATOM 0 HB3 HIS A 65 11.401 -39.993 -39.340 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.817 -39.104 -37.715 1.00 0.00 H new ATOM 0 HE1 HIS A 65 14.153 -43.240 -37.078 1.00 0.00 H new ATOM 0 HE2 HIS A 65 15.858 -41.293 -36.912 1.00 0.00 H new ATOM 874 N GLN A 66 12.553 -37.377 -41.509 1.00 0.00 N ATOM 875 CA GLN A 66 11.996 -36.995 -42.795 1.00 0.00 C ATOM 876 C GLN A 66 11.684 -38.239 -43.629 1.00 0.00 C ATOM 877 O GLN A 66 12.104 -39.343 -43.285 1.00 0.00 O ATOM 878 CB GLN A 66 12.942 -36.055 -43.545 1.00 0.00 C ATOM 879 CG GLN A 66 14.235 -36.774 -43.934 1.00 0.00 C ATOM 880 CD GLN A 66 15.407 -36.299 -43.072 1.00 0.00 C ATOM 881 OE1 GLN A 66 15.240 -35.625 -42.069 1.00 0.00 O ATOM 882 NE2 GLN A 66 16.598 -36.687 -43.518 1.00 0.00 N ATOM 0 H GLN A 66 13.568 -37.302 -41.445 1.00 0.00 H new ATOM 0 HA GLN A 66 11.065 -36.456 -42.620 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.449 -35.676 -44.440 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.175 -35.193 -42.920 1.00 0.00 H new ATOM 0 HG2 GLN A 66 14.106 -37.850 -43.818 1.00 0.00 H new ATOM 0 HG3 GLN A 66 14.455 -36.591 -44.986 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.666 -37.251 -44.365 1.00 0.00 H new ATOM 0 HE22 GLN A 66 17.443 -36.421 -43.013 1.00 0.00 H new ATOM 891 N THR A 67 10.950 -38.019 -44.711 1.00 0.00 N ATOM 892 CA THR A 67 10.578 -39.109 -45.596 1.00 0.00 C ATOM 893 C THR A 67 11.826 -39.824 -46.116 1.00 0.00 C ATOM 894 O THR A 67 12.945 -39.355 -45.912 1.00 0.00 O ATOM 895 CB THR A 67 9.699 -38.534 -46.709 1.00 0.00 C ATOM 896 OG1 THR A 67 8.510 -38.127 -46.038 1.00 0.00 O ATOM 897 CG2 THR A 67 9.224 -39.605 -47.693 1.00 0.00 C ATOM 0 H THR A 67 10.604 -37.102 -44.994 1.00 0.00 H new ATOM 0 HA THR A 67 10.003 -39.869 -45.067 1.00 0.00 H new ATOM 0 HB THR A 67 10.254 -37.766 -47.248 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.885 -37.740 -46.686 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.604 -39.144 -48.462 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.088 -40.079 -48.159 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.641 -40.356 -47.160 1.00 0.00 H new ATOM 905 N ARG A 68 11.592 -40.948 -46.778 1.00 0.00 N ATOM 906 CA ARG A 68 12.684 -41.733 -47.329 1.00 0.00 C ATOM 907 C ARG A 68 13.439 -40.923 -48.386 1.00 0.00 C ATOM 908 O ARG A 68 12.831 -40.190 -49.163 1.00 0.00 O ATOM 909 CB ARG A 68 12.168 -43.027 -47.961 1.00 0.00 C ATOM 910 CG ARG A 68 12.207 -44.180 -46.956 1.00 0.00 C ATOM 911 CD ARG A 68 11.951 -45.520 -47.650 1.00 0.00 C ATOM 912 NE ARG A 68 10.572 -45.979 -47.371 1.00 0.00 N ATOM 913 CZ ARG A 68 9.491 -45.610 -48.091 1.00 0.00 C ATOM 914 NH1 ARG A 68 9.621 -44.772 -49.141 1.00 0.00 N ATOM 915 NH2 ARG A 68 8.305 -46.081 -47.753 1.00 0.00 N ATOM 0 H ARG A 68 10.663 -41.334 -46.945 1.00 0.00 H new ATOM 0 HA ARG A 68 13.357 -41.986 -46.510 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.147 -42.882 -48.314 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.774 -43.278 -48.832 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.177 -44.203 -46.460 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.457 -44.018 -46.182 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.098 -45.416 -48.725 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.668 -46.263 -47.301 1.00 0.00 H new ATOM 0 HE ARG A 68 10.429 -46.614 -46.586 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.541 -44.413 -49.396 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.799 -44.498 -49.680 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.215 -46.714 -46.958 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.478 -45.812 -48.287 1.00 0.00 H new ATOM 928 N GLY A 69 14.755 -41.084 -48.380 1.00 0.00 N ATOM 929 CA GLY A 69 15.599 -40.378 -49.328 1.00 0.00 C ATOM 930 C GLY A 69 15.225 -40.735 -50.768 1.00 0.00 C ATOM 931 O GLY A 69 14.817 -39.869 -51.540 1.00 0.00 O ATOM 0 H GLY A 69 15.256 -41.693 -47.733 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.499 -39.303 -49.179 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.644 -40.629 -49.147 1.00 0.00 H new ATOM 935 N ALA A 70 15.376 -42.013 -51.085 1.00 0.00 N ATOM 936 CA ALA A 70 15.059 -42.495 -52.419 1.00 0.00 C ATOM 937 C ALA A 70 16.002 -41.842 -53.431 1.00 0.00 C ATOM 938 O ALA A 70 16.700 -40.882 -53.105 1.00 0.00 O ATOM 939 CB ALA A 70 13.587 -42.214 -52.727 1.00 0.00 C ATOM 0 H ALA A 70 15.713 -42.729 -50.442 1.00 0.00 H new ATOM 0 HA ALA A 70 15.205 -43.573 -52.482 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.349 -42.575 -53.727 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.959 -42.725 -51.998 1.00 0.00 H new ATOM 0 HB3 ALA A 70 13.403 -41.141 -52.676 1.00 0.00 H new ATOM 945 N TYR A 71 15.993 -42.387 -54.638 1.00 0.00 N ATOM 946 CA TYR A 71 16.839 -41.869 -55.700 1.00 0.00 C ATOM 947 C TYR A 71 18.229 -41.514 -55.169 1.00 0.00 C ATOM 948 O TYR A 71 18.451 -40.402 -54.694 1.00 0.00 O ATOM 949 CB TYR A 71 16.156 -40.594 -56.199 1.00 0.00 C ATOM 950 CG TYR A 71 17.075 -39.668 -56.998 1.00 0.00 C ATOM 951 CD1 TYR A 71 17.793 -40.164 -58.068 1.00 0.00 C ATOM 952 CD2 TYR A 71 17.185 -38.337 -56.650 1.00 0.00 C ATOM 953 CE1 TYR A 71 18.658 -39.292 -58.820 1.00 0.00 C ATOM 954 CE2 TYR A 71 18.050 -37.466 -57.403 1.00 0.00 C ATOM 955 CZ TYR A 71 18.744 -37.986 -58.450 1.00 0.00 C ATOM 956 OH TYR A 71 19.561 -37.163 -59.161 1.00 0.00 O ATOM 0 H TYR A 71 15.413 -43.183 -54.905 1.00 0.00 H new ATOM 0 HA TYR A 71 16.965 -42.612 -56.488 1.00 0.00 H new ATOM 0 HB2 TYR A 71 15.305 -40.870 -56.822 1.00 0.00 H new ATOM 0 HB3 TYR A 71 15.761 -40.047 -55.343 1.00 0.00 H new ATOM 0 HD1 TYR A 71 17.706 -41.205 -58.341 1.00 0.00 H new ATOM 0 HD2 TYR A 71 16.623 -37.949 -55.814 1.00 0.00 H new ATOM 0 HE1 TYR A 71 19.226 -39.667 -59.659 1.00 0.00 H new ATOM 0 HE2 TYR A 71 18.145 -36.422 -57.142 1.00 0.00 H new ATOM 0 HH TYR A 71 19.522 -36.259 -58.785 1.00 0.00 H new ATOM 966 N SER A 72 19.130 -42.481 -55.268 1.00 0.00 N ATOM 967 CA SER A 72 20.493 -42.284 -54.804 1.00 0.00 C ATOM 968 C SER A 72 21.442 -42.171 -55.999 1.00 0.00 C ATOM 969 O SER A 72 21.491 -43.064 -56.843 1.00 0.00 O ATOM 970 CB SER A 72 20.932 -43.426 -53.885 1.00 0.00 C ATOM 971 OG SER A 72 20.905 -43.045 -52.512 1.00 0.00 O ATOM 0 H SER A 72 18.943 -43.403 -55.663 1.00 0.00 H new ATOM 0 HA SER A 72 20.528 -41.357 -54.231 1.00 0.00 H new ATOM 0 HB2 SER A 72 20.278 -44.285 -54.036 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.940 -43.741 -54.154 1.00 0.00 H new ATOM 0 HG SER A 72 21.190 -43.801 -51.957 1.00 0.00 H new ATOM 977 N SER A 73 22.171 -41.065 -56.032 1.00 0.00 N ATOM 978 CA SER A 73 23.115 -40.824 -57.110 1.00 0.00 C ATOM 979 C SER A 73 24.504 -41.325 -56.710 1.00 0.00 C ATOM 980 O SER A 73 25.015 -40.970 -55.649 1.00 0.00 O ATOM 981 CB SER A 73 23.171 -39.338 -57.471 1.00 0.00 C ATOM 982 OG SER A 73 23.785 -38.562 -56.445 1.00 0.00 O ATOM 0 H SER A 73 22.127 -40.326 -55.330 1.00 0.00 H new ATOM 0 HA SER A 73 22.777 -41.372 -57.990 1.00 0.00 H new ATOM 0 HB2 SER A 73 23.724 -39.212 -58.401 1.00 0.00 H new ATOM 0 HB3 SER A 73 22.161 -38.970 -57.649 1.00 0.00 H new ATOM 0 HG SER A 73 24.333 -39.144 -55.878 1.00 0.00 H new ATOM 988 N HIS A 74 25.076 -42.143 -57.582 1.00 0.00 N ATOM 989 CA HIS A 74 26.396 -42.697 -57.333 1.00 0.00 C ATOM 990 C HIS A 74 26.845 -43.517 -58.544 1.00 0.00 C ATOM 991 O HIS A 74 26.981 -44.737 -58.457 1.00 0.00 O ATOM 992 CB HIS A 74 26.411 -43.503 -56.033 1.00 0.00 C ATOM 993 CG HIS A 74 27.692 -43.373 -55.245 1.00 0.00 C ATOM 994 ND1 HIS A 74 27.846 -42.471 -54.207 1.00 0.00 N ATOM 995 CD2 HIS A 74 28.877 -44.042 -55.352 1.00 0.00 C ATOM 996 CE1 HIS A 74 29.072 -42.598 -53.720 1.00 0.00 C ATOM 997 NE2 HIS A 74 29.709 -43.571 -54.431 1.00 0.00 N ATOM 0 H HIS A 74 24.650 -42.435 -58.461 1.00 0.00 H new ATOM 0 HA HIS A 74 27.114 -41.888 -57.199 1.00 0.00 H new ATOM 0 HB2 HIS A 74 25.578 -43.181 -55.408 1.00 0.00 H new ATOM 0 HB3 HIS A 74 26.246 -44.555 -56.268 1.00 0.00 H new ATOM 0 HD2 HIS A 74 29.100 -44.822 -56.065 1.00 0.00 H new ATOM 0 HE1 HIS A 74 29.493 -42.030 -52.903 1.00 0.00 H new ATOM 0 HE2 HIS A 74 30.667 -43.886 -54.280 1.00 0.00 H new ATOM 1005 N ASP A 75 27.063 -42.815 -59.647 1.00 0.00 N ATOM 1006 CA ASP A 75 27.493 -43.463 -60.874 1.00 0.00 C ATOM 1007 C ASP A 75 28.682 -42.697 -61.459 1.00 0.00 C ATOM 1008 O ASP A 75 28.547 -41.540 -61.852 1.00 0.00 O ATOM 1009 CB ASP A 75 26.374 -43.467 -61.916 1.00 0.00 C ATOM 1010 CG ASP A 75 26.759 -44.050 -63.277 1.00 0.00 C ATOM 1011 OD1 ASP A 75 27.274 -45.175 -63.368 1.00 0.00 O ATOM 1012 OD2 ASP A 75 26.508 -43.289 -64.288 1.00 0.00 O ATOM 0 H ASP A 75 26.950 -41.804 -59.716 1.00 0.00 H new ATOM 0 HA ASP A 75 27.766 -44.491 -60.635 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.532 -44.034 -61.520 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.029 -42.443 -62.061 1.00 0.00 H new TER 1018 ASP A 75