USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=17 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 10 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 21 TYR OH : rot 180:sc= 0 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 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 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= -0.662 K(o=-0.66,f=-1.8!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.363 K(o=-0.36,f=-0.9) USER MOD Single : A 35 HIS : no HD1:sc= -0.0506 X(o=-0.051,f=-0.29) 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 X(o=0,f=-0.059) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 65 HIS :FLIP no HD1:sc= 0.00171 F(o=-0.53,f=0.0017) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0672 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 43:sc= 0.194 USER MOD Single : A 74 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -63.173 0.951 -9.608 1.00 0.00 N ATOM 2 CA MET A 1 -61.907 1.654 -9.732 1.00 0.00 C ATOM 3 C MET A 1 -60.729 0.687 -9.603 1.00 0.00 C ATOM 4 O MET A 1 -60.330 0.333 -8.495 1.00 0.00 O ATOM 5 CB MET A 1 -61.810 2.726 -8.646 1.00 0.00 C ATOM 6 CG MET A 1 -60.502 3.512 -8.766 1.00 0.00 C ATOM 7 SD MET A 1 -60.823 5.128 -9.452 1.00 0.00 S ATOM 8 CE MET A 1 -60.450 6.146 -8.034 1.00 0.00 C ATOM 0 H1 MET A 1 -63.957 1.629 -9.699 1.00 0.00 H new ATOM 0 H2 MET A 1 -63.247 0.234 -10.357 1.00 0.00 H new ATOM 0 H3 MET A 1 -63.223 0.487 -8.679 1.00 0.00 H new ATOM 0 HA MET A 1 -61.865 2.118 -10.717 1.00 0.00 H new ATOM 0 HB2 MET A 1 -62.657 3.408 -8.726 1.00 0.00 H new ATOM 0 HB3 MET A 1 -61.869 2.259 -7.663 1.00 0.00 H new ATOM 0 HG2 MET A 1 -60.036 3.610 -7.786 1.00 0.00 H new ATOM 0 HG3 MET A 1 -59.800 2.971 -9.401 1.00 0.00 H new ATOM 0 HE1 MET A 1 -60.599 7.195 -8.290 1.00 0.00 H new ATOM 0 HE2 MET A 1 -61.109 5.876 -7.209 1.00 0.00 H new ATOM 0 HE3 MET A 1 -59.413 5.989 -7.736 1.00 0.00 H new ATOM 18 N GLU A 2 -60.204 0.286 -10.752 1.00 0.00 N ATOM 19 CA GLU A 2 -59.079 -0.633 -10.782 1.00 0.00 C ATOM 20 C GLU A 2 -57.760 0.142 -10.773 1.00 0.00 C ATOM 21 O GLU A 2 -57.435 0.832 -11.738 1.00 0.00 O ATOM 22 CB GLU A 2 -59.162 -1.562 -11.995 1.00 0.00 C ATOM 23 CG GLU A 2 -58.787 -2.995 -11.614 1.00 0.00 C ATOM 24 CD GLU A 2 -59.934 -3.961 -11.918 1.00 0.00 C ATOM 25 OE1 GLU A 2 -61.108 -3.569 -11.852 1.00 0.00 O ATOM 26 OE2 GLU A 2 -59.570 -5.158 -12.234 1.00 0.00 O ATOM 0 H GLU A 2 -60.538 0.581 -11.670 1.00 0.00 H new ATOM 0 HA GLU A 2 -59.118 -1.254 -9.887 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -60.172 -1.543 -12.404 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -58.494 -1.204 -12.779 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -57.895 -3.299 -12.162 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -58.540 -3.040 -10.553 1.00 0.00 H new ATOM 34 N VAL A 3 -57.036 0.003 -9.672 1.00 0.00 N ATOM 35 CA VAL A 3 -55.760 0.682 -9.525 1.00 0.00 C ATOM 36 C VAL A 3 -54.630 -0.280 -9.898 1.00 0.00 C ATOM 37 O VAL A 3 -54.774 -1.494 -9.765 1.00 0.00 O ATOM 38 CB VAL A 3 -55.625 1.242 -8.107 1.00 0.00 C ATOM 39 CG1 VAL A 3 -54.520 2.297 -8.037 1.00 0.00 C ATOM 40 CG2 VAL A 3 -56.958 1.809 -7.613 1.00 0.00 C ATOM 0 H VAL A 3 -57.309 -0.570 -8.873 1.00 0.00 H new ATOM 0 HA VAL A 3 -55.700 1.533 -10.203 1.00 0.00 H new ATOM 0 HB VAL A 3 -55.345 0.421 -7.447 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -54.445 2.679 -7.019 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -53.570 1.849 -8.327 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -54.756 3.117 -8.715 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -56.835 2.201 -6.603 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -57.280 2.611 -8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -57.709 1.019 -7.607 1.00 0.00 H new ATOM 50 N ALA A 4 -53.531 0.299 -10.357 1.00 0.00 N ATOM 51 CA ALA A 4 -52.377 -0.491 -10.750 1.00 0.00 C ATOM 52 C ALA A 4 -51.524 -0.791 -9.515 1.00 0.00 C ATOM 53 O ALA A 4 -51.694 -0.161 -8.472 1.00 0.00 O ATOM 54 CB ALA A 4 -51.593 0.253 -11.833 1.00 0.00 C ATOM 0 H ALA A 4 -53.415 1.307 -10.466 1.00 0.00 H new ATOM 0 HA ALA A 4 -52.692 -1.445 -11.173 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -50.727 -0.340 -12.128 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -52.234 0.415 -12.700 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -51.259 1.215 -11.444 1.00 0.00 H new ATOM 60 N MET A 5 -50.626 -1.751 -9.675 1.00 0.00 N ATOM 61 CA MET A 5 -49.747 -2.142 -8.585 1.00 0.00 C ATOM 62 C MET A 5 -48.406 -1.410 -8.674 1.00 0.00 C ATOM 63 O MET A 5 -47.490 -1.865 -9.356 1.00 0.00 O ATOM 64 CB MET A 5 -49.508 -3.652 -8.638 1.00 0.00 C ATOM 65 CG MET A 5 -50.495 -4.394 -7.734 1.00 0.00 C ATOM 66 SD MET A 5 -49.632 -5.106 -6.343 1.00 0.00 S ATOM 67 CE MET A 5 -49.820 -6.841 -6.716 1.00 0.00 C ATOM 0 H MET A 5 -50.487 -2.270 -10.542 1.00 0.00 H new ATOM 0 HA MET A 5 -50.225 -1.874 -7.643 1.00 0.00 H new ATOM 0 HB2 MET A 5 -49.613 -4.005 -9.664 1.00 0.00 H new ATOM 0 HB3 MET A 5 -48.487 -3.874 -8.327 1.00 0.00 H new ATOM 0 HG2 MET A 5 -51.265 -3.708 -7.382 1.00 0.00 H new ATOM 0 HG3 MET A 5 -51.000 -5.177 -8.299 1.00 0.00 H new ATOM 0 HE1 MET A 5 -49.335 -7.434 -5.941 1.00 0.00 H new ATOM 0 HE2 MET A 5 -50.880 -7.092 -6.755 1.00 0.00 H new ATOM 0 HE3 MET A 5 -49.360 -7.058 -7.680 1.00 0.00 H new ATOM 77 N VAL A 6 -48.334 -0.287 -7.974 1.00 0.00 N ATOM 78 CA VAL A 6 -47.121 0.513 -7.965 1.00 0.00 C ATOM 79 C VAL A 6 -46.095 -0.136 -7.033 1.00 0.00 C ATOM 80 O VAL A 6 -46.434 -1.022 -6.251 1.00 0.00 O ATOM 81 CB VAL A 6 -47.449 1.957 -7.580 1.00 0.00 C ATOM 82 CG1 VAL A 6 -46.218 2.855 -7.722 1.00 0.00 C ATOM 83 CG2 VAL A 6 -48.617 2.493 -8.409 1.00 0.00 C ATOM 0 H VAL A 6 -49.096 0.088 -7.409 1.00 0.00 H new ATOM 0 HA VAL A 6 -46.679 0.549 -8.961 1.00 0.00 H new ATOM 0 HB VAL A 6 -47.750 1.965 -6.533 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -46.478 3.876 -7.442 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -45.425 2.491 -7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -45.873 2.839 -8.756 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -48.830 3.521 -8.116 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -48.356 2.464 -9.467 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -49.499 1.876 -8.236 1.00 0.00 H new ATOM 93 N SER A 7 -44.861 0.332 -7.148 1.00 0.00 N ATOM 94 CA SER A 7 -43.783 -0.191 -6.325 1.00 0.00 C ATOM 95 C SER A 7 -43.515 0.752 -5.151 1.00 0.00 C ATOM 96 O SER A 7 -43.793 1.948 -5.235 1.00 0.00 O ATOM 97 CB SER A 7 -42.509 -0.390 -7.149 1.00 0.00 C ATOM 98 OG SER A 7 -41.700 -1.445 -6.635 1.00 0.00 O ATOM 0 H SER A 7 -44.583 1.067 -7.798 1.00 0.00 H new ATOM 0 HA SER A 7 -44.089 -1.163 -5.938 1.00 0.00 H new ATOM 0 HB2 SER A 7 -42.776 -0.609 -8.183 1.00 0.00 H new ATOM 0 HB3 SER A 7 -41.934 0.536 -7.158 1.00 0.00 H new ATOM 0 HG SER A 7 -40.898 -1.542 -7.189 1.00 0.00 H new ATOM 104 N ALA A 8 -42.978 0.180 -4.084 1.00 0.00 N ATOM 105 CA ALA A 8 -42.670 0.955 -2.894 1.00 0.00 C ATOM 106 C ALA A 8 -41.268 1.553 -3.030 1.00 0.00 C ATOM 107 O ALA A 8 -40.279 0.911 -2.680 1.00 0.00 O ATOM 108 CB ALA A 8 -42.807 0.067 -1.656 1.00 0.00 C ATOM 0 H ALA A 8 -42.748 -0.812 -4.018 1.00 0.00 H new ATOM 0 HA ALA A 8 -43.372 1.781 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -42.576 0.649 -0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -43.828 -0.310 -1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -42.115 -0.772 -1.732 1.00 0.00 H new ATOM 114 N GLU A 9 -41.228 2.776 -3.539 1.00 0.00 N ATOM 115 CA GLU A 9 -39.964 3.467 -3.725 1.00 0.00 C ATOM 116 C GLU A 9 -39.287 3.709 -2.374 1.00 0.00 C ATOM 117 O GLU A 9 -39.890 3.488 -1.325 1.00 0.00 O ATOM 118 CB GLU A 9 -40.165 4.783 -4.480 1.00 0.00 C ATOM 119 CG GLU A 9 -39.152 4.922 -5.619 1.00 0.00 C ATOM 120 CD GLU A 9 -39.855 4.958 -6.977 1.00 0.00 C ATOM 121 OE1 GLU A 9 -40.394 3.935 -7.424 1.00 0.00 O ATOM 122 OE2 GLU A 9 -39.829 6.101 -7.574 1.00 0.00 O ATOM 0 H GLU A 9 -42.050 3.305 -3.828 1.00 0.00 H new ATOM 0 HA GLU A 9 -39.312 2.835 -4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -41.177 4.825 -4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -40.060 5.621 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -38.569 5.833 -5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -38.451 4.088 -5.591 1.00 0.00 H new ATOM 130 N SER A 10 -38.043 4.159 -2.444 1.00 0.00 N ATOM 131 CA SER A 10 -37.277 4.433 -1.240 1.00 0.00 C ATOM 132 C SER A 10 -36.924 5.920 -1.171 1.00 0.00 C ATOM 133 O SER A 10 -36.208 6.432 -2.030 1.00 0.00 O ATOM 134 CB SER A 10 -36.006 3.583 -1.190 1.00 0.00 C ATOM 135 OG SER A 10 -35.685 3.180 0.139 1.00 0.00 O ATOM 0 H SER A 10 -37.546 4.341 -3.316 1.00 0.00 H new ATOM 0 HA SER A 10 -37.891 4.171 -0.378 1.00 0.00 H new ATOM 0 HB2 SER A 10 -36.136 2.700 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 10 -35.174 4.150 -1.608 1.00 0.00 H new ATOM 0 HG SER A 10 -34.869 2.638 0.128 1.00 0.00 H new ATOM 141 N SER A 11 -37.443 6.571 -0.141 1.00 0.00 N ATOM 142 CA SER A 11 -37.192 7.989 0.052 1.00 0.00 C ATOM 143 C SER A 11 -37.666 8.776 -1.172 1.00 0.00 C ATOM 144 O SER A 11 -36.984 8.811 -2.195 1.00 0.00 O ATOM 145 CB SER A 11 -35.707 8.255 0.310 1.00 0.00 C ATOM 146 OG SER A 11 -35.509 9.327 1.229 1.00 0.00 O ATOM 0 H SER A 11 -38.037 6.143 0.569 1.00 0.00 H new ATOM 0 HA SER A 11 -37.751 8.319 0.928 1.00 0.00 H new ATOM 0 HB2 SER A 11 -35.239 7.351 0.701 1.00 0.00 H new ATOM 0 HB3 SER A 11 -35.211 8.489 -0.632 1.00 0.00 H new ATOM 0 HG SER A 11 -34.549 9.465 1.369 1.00 0.00 H new ATOM 152 N GLY A 12 -38.833 9.387 -1.026 1.00 0.00 N ATOM 153 CA GLY A 12 -39.407 10.171 -2.107 1.00 0.00 C ATOM 154 C GLY A 12 -40.567 11.032 -1.604 1.00 0.00 C ATOM 155 O GLY A 12 -40.426 11.754 -0.618 1.00 0.00 O ATOM 0 H GLY A 12 -39.396 9.355 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -38.640 10.809 -2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -39.758 9.506 -2.896 1.00 0.00 H new ATOM 159 N CYS A 13 -41.687 10.927 -2.304 1.00 0.00 N ATOM 160 CA CYS A 13 -42.870 11.688 -1.940 1.00 0.00 C ATOM 161 C CYS A 13 -44.102 10.920 -2.424 1.00 0.00 C ATOM 162 O CYS A 13 -44.841 11.402 -3.281 1.00 0.00 O ATOM 163 CB CYS A 13 -42.826 13.109 -2.505 1.00 0.00 C ATOM 164 SG CYS A 13 -43.468 14.295 -1.268 1.00 0.00 S ATOM 0 H CYS A 13 -41.800 10.327 -3.121 1.00 0.00 H new ATOM 0 HA CYS A 13 -42.914 11.800 -0.857 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -41.803 13.370 -2.775 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -43.420 13.165 -3.417 1.00 0.00 H new ATOM 0 HG CYS A 13 -43.424 15.499 -1.757 1.00 0.00 H new ATOM 170 N ASN A 14 -44.285 9.738 -1.853 1.00 0.00 N ATOM 171 CA ASN A 14 -45.415 8.899 -2.215 1.00 0.00 C ATOM 172 C ASN A 14 -46.550 9.119 -1.213 1.00 0.00 C ATOM 173 O ASN A 14 -47.399 8.248 -1.031 1.00 0.00 O ATOM 174 CB ASN A 14 -45.034 7.418 -2.181 1.00 0.00 C ATOM 175 CG ASN A 14 -44.993 6.829 -3.593 1.00 0.00 C ATOM 176 OD1 ASN A 14 -43.979 6.844 -4.271 1.00 0.00 O ATOM 177 ND2 ASN A 14 -46.150 6.312 -3.997 1.00 0.00 N ATOM 0 H ASN A 14 -43.670 9.342 -1.142 1.00 0.00 H new ATOM 0 HA ASN A 14 -45.725 9.168 -3.225 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -44.060 7.300 -1.706 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -45.753 6.868 -1.574 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -46.226 5.895 -4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -46.961 6.332 -3.379 1.00 0.00 H new ATOM 184 N SER A 15 -46.528 10.287 -0.589 1.00 0.00 N ATOM 185 CA SER A 15 -47.544 10.632 0.390 1.00 0.00 C ATOM 186 C SER A 15 -47.443 9.701 1.600 1.00 0.00 C ATOM 187 O SER A 15 -48.025 8.618 1.604 1.00 0.00 O ATOM 188 CB SER A 15 -48.945 10.558 -0.221 1.00 0.00 C ATOM 189 OG SER A 15 -49.099 11.458 -1.315 1.00 0.00 O ATOM 0 H SER A 15 -45.822 11.007 -0.743 1.00 0.00 H new ATOM 0 HA SER A 15 -47.372 11.658 0.714 1.00 0.00 H new ATOM 0 HB2 SER A 15 -49.140 9.540 -0.559 1.00 0.00 H new ATOM 0 HB3 SER A 15 -49.687 10.787 0.544 1.00 0.00 H new ATOM 0 HG SER A 15 -50.006 11.379 -1.678 1.00 0.00 H new ATOM 195 N HIS A 16 -46.699 10.158 2.597 1.00 0.00 N ATOM 196 CA HIS A 16 -46.514 9.379 3.809 1.00 0.00 C ATOM 197 C HIS A 16 -45.883 8.030 3.462 1.00 0.00 C ATOM 198 O HIS A 16 -46.589 7.037 3.287 1.00 0.00 O ATOM 199 CB HIS A 16 -47.833 9.238 4.571 1.00 0.00 C ATOM 200 CG HIS A 16 -47.788 8.232 5.696 1.00 0.00 C ATOM 201 ND1 HIS A 16 -48.082 6.892 5.515 1.00 0.00 N ATOM 202 CD2 HIS A 16 -47.480 8.384 7.016 1.00 0.00 C ATOM 203 CE1 HIS A 16 -47.955 6.274 6.681 1.00 0.00 C ATOM 204 NE2 HIS A 16 -47.582 7.201 7.610 1.00 0.00 N ATOM 0 H HIS A 16 -46.218 11.057 2.590 1.00 0.00 H new ATOM 0 HA HIS A 16 -45.829 9.899 4.478 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -48.111 10.210 4.978 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -48.616 8.949 3.870 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -48.351 6.454 4.634 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -47.200 9.310 7.497 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -48.118 5.222 6.863 1.00 0.00 H new ATOM 212 N MET A 17 -44.561 8.036 3.371 1.00 0.00 N ATOM 213 CA MET A 17 -43.827 6.825 3.047 1.00 0.00 C ATOM 214 C MET A 17 -44.431 5.612 3.758 1.00 0.00 C ATOM 215 O MET A 17 -45.068 5.752 4.801 1.00 0.00 O ATOM 216 CB MET A 17 -42.365 6.986 3.466 1.00 0.00 C ATOM 217 CG MET A 17 -42.243 7.146 4.982 1.00 0.00 C ATOM 218 SD MET A 17 -40.647 7.830 5.398 1.00 0.00 S ATOM 219 CE MET A 17 -40.451 7.177 7.048 1.00 0.00 C ATOM 0 H MET A 17 -43.979 8.861 3.516 1.00 0.00 H new ATOM 0 HA MET A 17 -43.890 6.661 1.971 1.00 0.00 H new ATOM 0 HB2 MET A 17 -41.792 6.117 3.141 1.00 0.00 H new ATOM 0 HB3 MET A 17 -41.934 7.855 2.969 1.00 0.00 H new ATOM 0 HG2 MET A 17 -43.035 7.798 5.352 1.00 0.00 H new ATOM 0 HG3 MET A 17 -42.372 6.180 5.469 1.00 0.00 H new ATOM 0 HE1 MET A 17 -39.498 7.510 7.460 1.00 0.00 H new ATOM 0 HE2 MET A 17 -41.264 7.534 7.680 1.00 0.00 H new ATOM 0 HE3 MET A 17 -40.470 6.088 7.013 1.00 0.00 H new ATOM 229 N PRO A 18 -44.203 4.417 3.149 1.00 0.00 N ATOM 230 CA PRO A 18 -44.717 3.180 3.712 1.00 0.00 C ATOM 231 C PRO A 18 -43.901 2.752 4.934 1.00 0.00 C ATOM 232 O PRO A 18 -42.774 3.209 5.122 1.00 0.00 O ATOM 233 CB PRO A 18 -44.655 2.174 2.575 1.00 0.00 C ATOM 234 CG PRO A 18 -43.683 2.752 1.559 1.00 0.00 C ATOM 235 CD PRO A 18 -43.453 4.213 1.913 1.00 0.00 C ATOM 0 HA PRO A 18 -45.737 3.279 4.083 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -44.315 1.202 2.932 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -45.640 2.024 2.132 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -42.742 2.202 1.575 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -44.087 2.662 0.551 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -42.393 4.424 2.054 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -43.807 4.873 1.121 1.00 0.00 H new ATOM 243 N TYR A 19 -44.501 1.882 5.732 1.00 0.00 N ATOM 244 CA TYR A 19 -43.843 1.388 6.929 1.00 0.00 C ATOM 245 C TYR A 19 -42.744 0.383 6.577 1.00 0.00 C ATOM 246 O TYR A 19 -42.996 -0.599 5.880 1.00 0.00 O ATOM 247 CB TYR A 19 -44.926 0.676 7.742 1.00 0.00 C ATOM 248 CG TYR A 19 -45.218 -0.752 7.275 1.00 0.00 C ATOM 249 CD1 TYR A 19 -46.176 -0.980 6.309 1.00 0.00 C ATOM 250 CD2 TYR A 19 -44.521 -1.812 7.820 1.00 0.00 C ATOM 251 CE1 TYR A 19 -46.450 -2.323 5.869 1.00 0.00 C ATOM 252 CE2 TYR A 19 -44.795 -3.155 7.380 1.00 0.00 C ATOM 253 CZ TYR A 19 -45.746 -3.345 6.426 1.00 0.00 C ATOM 254 OH TYR A 19 -46.005 -4.614 6.011 1.00 0.00 O ATOM 0 H TYR A 19 -45.436 1.506 5.573 1.00 0.00 H new ATOM 0 HA TYR A 19 -43.379 2.208 7.477 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -44.622 0.650 8.788 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -45.846 1.259 7.692 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -46.721 -0.151 5.883 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -43.771 -1.634 8.576 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -47.198 -2.515 5.114 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -44.257 -3.993 7.798 1.00 0.00 H new ATOM 0 HH TYR A 19 -45.427 -5.241 6.494 1.00 0.00 H new ATOM 264 N GLY A 20 -41.548 0.664 7.074 1.00 0.00 N ATOM 265 CA GLY A 20 -40.410 -0.202 6.820 1.00 0.00 C ATOM 266 C GLY A 20 -39.319 0.003 7.873 1.00 0.00 C ATOM 267 O GLY A 20 -39.464 -0.431 9.015 1.00 0.00 O ATOM 0 H GLY A 20 -41.343 1.479 7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -40.733 -1.243 6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -40.007 0.003 5.828 1.00 0.00 H new ATOM 271 N TYR A 21 -38.251 0.665 7.451 1.00 0.00 N ATOM 272 CA TYR A 21 -37.136 0.933 8.344 1.00 0.00 C ATOM 273 C TYR A 21 -37.342 2.248 9.099 1.00 0.00 C ATOM 274 O TYR A 21 -36.386 2.979 9.350 1.00 0.00 O ATOM 275 CB TYR A 21 -35.902 1.060 7.449 1.00 0.00 C ATOM 276 CG TYR A 21 -36.057 2.074 6.314 1.00 0.00 C ATOM 277 CD1 TYR A 21 -35.772 3.407 6.536 1.00 0.00 C ATOM 278 CD2 TYR A 21 -36.482 1.657 5.070 1.00 0.00 C ATOM 279 CE1 TYR A 21 -35.918 4.361 5.468 1.00 0.00 C ATOM 280 CE2 TYR A 21 -36.628 2.612 4.001 1.00 0.00 C ATOM 281 CZ TYR A 21 -36.339 3.917 4.253 1.00 0.00 C ATOM 282 OH TYR A 21 -36.477 4.818 3.244 1.00 0.00 O ATOM 0 H TYR A 21 -38.134 1.023 6.503 1.00 0.00 H new ATOM 0 HA TYR A 21 -37.036 0.139 9.084 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -35.048 1.346 8.063 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -35.674 0.084 7.021 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -35.440 3.733 7.510 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -36.705 0.615 4.897 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -35.698 5.406 5.628 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -36.959 2.299 3.022 1.00 0.00 H new ATOM 0 HH TYR A 21 -36.784 4.358 2.435 1.00 0.00 H new ATOM 292 N ALA A 22 -38.596 2.508 9.438 1.00 0.00 N ATOM 293 CA ALA A 22 -38.940 3.722 10.159 1.00 0.00 C ATOM 294 C ALA A 22 -38.350 3.656 11.570 1.00 0.00 C ATOM 295 O ALA A 22 -37.770 4.629 12.050 1.00 0.00 O ATOM 296 CB ALA A 22 -40.460 3.897 10.170 1.00 0.00 C ATOM 0 H ALA A 22 -39.386 1.899 9.227 1.00 0.00 H new ATOM 0 HA ALA A 22 -38.516 4.596 9.664 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -40.718 4.808 10.711 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -40.826 3.968 9.146 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -40.921 3.040 10.661 1.00 0.00 H new ATOM 302 N ALA A 23 -38.520 2.500 12.194 1.00 0.00 N ATOM 303 CA ALA A 23 -38.012 2.295 13.540 1.00 0.00 C ATOM 304 C ALA A 23 -36.585 1.749 13.464 1.00 0.00 C ATOM 305 O ALA A 23 -36.060 1.234 14.450 1.00 0.00 O ATOM 306 CB ALA A 23 -38.953 1.362 14.304 1.00 0.00 C ATOM 0 H ALA A 23 -39.002 1.696 11.793 1.00 0.00 H new ATOM 0 HA ALA A 23 -37.975 3.239 14.084 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.572 1.208 15.314 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.946 1.809 14.355 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -39.012 0.403 13.789 1.00 0.00 H new ATOM 312 N GLN A 24 -35.997 1.880 12.284 1.00 0.00 N ATOM 313 CA GLN A 24 -34.641 1.406 12.066 1.00 0.00 C ATOM 314 C GLN A 24 -33.634 2.511 12.392 1.00 0.00 C ATOM 315 O GLN A 24 -32.425 2.300 12.305 1.00 0.00 O ATOM 316 CB GLN A 24 -34.459 0.903 10.633 1.00 0.00 C ATOM 317 CG GLN A 24 -33.828 -0.491 10.617 1.00 0.00 C ATOM 318 CD GLN A 24 -34.720 -1.504 11.337 1.00 0.00 C ATOM 319 OE1 GLN A 24 -35.875 -1.704 10.998 1.00 0.00 O ATOM 320 NE2 GLN A 24 -34.121 -2.131 12.345 1.00 0.00 N ATOM 0 H GLN A 24 -36.435 2.308 11.468 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.459 0.566 12.736 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.425 0.875 10.128 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -33.829 1.598 10.077 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -33.667 -0.810 9.587 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -32.850 -0.457 11.096 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -33.151 -1.915 12.575 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -34.631 -2.828 12.888 1.00 0.00 H new ATOM 329 N ALA A 25 -34.169 3.666 12.760 1.00 0.00 N ATOM 330 CA ALA A 25 -33.332 4.804 13.099 1.00 0.00 C ATOM 331 C ALA A 25 -32.441 4.441 14.287 1.00 0.00 C ATOM 332 O ALA A 25 -31.412 5.076 14.514 1.00 0.00 O ATOM 333 CB ALA A 25 -34.216 6.021 13.383 1.00 0.00 C ATOM 0 H ALA A 25 -35.172 3.838 12.831 1.00 0.00 H new ATOM 0 HA ALA A 25 -32.679 5.062 12.265 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -33.588 6.875 13.637 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -34.807 6.256 12.498 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -34.883 5.800 14.216 1.00 0.00 H new ATOM 339 N ARG A 26 -32.868 3.420 15.016 1.00 0.00 N ATOM 340 CA ARG A 26 -32.121 2.964 16.176 1.00 0.00 C ATOM 341 C ARG A 26 -30.841 2.249 15.736 1.00 0.00 C ATOM 342 O ARG A 26 -29.832 2.289 16.438 1.00 0.00 O ATOM 343 CB ARG A 26 -32.959 2.013 17.032 1.00 0.00 C ATOM 344 CG ARG A 26 -32.876 2.389 18.513 1.00 0.00 C ATOM 345 CD ARG A 26 -34.250 2.300 19.180 1.00 0.00 C ATOM 346 NE ARG A 26 -34.904 3.628 19.173 1.00 0.00 N ATOM 347 CZ ARG A 26 -34.702 4.575 20.113 1.00 0.00 C ATOM 348 NH1 ARG A 26 -33.862 4.349 21.145 1.00 0.00 N ATOM 349 NH2 ARG A 26 -35.339 5.727 20.008 1.00 0.00 N ATOM 0 H ARG A 26 -33.722 2.896 14.826 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.866 3.841 16.771 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.998 2.043 16.704 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.610 0.990 16.893 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -32.177 1.725 19.022 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -32.484 3.401 18.613 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -34.872 1.576 18.654 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -34.143 1.943 20.205 1.00 0.00 H new ATOM 0 HE ARG A 26 -35.547 3.840 18.410 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -33.374 3.457 21.219 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -33.715 5.071 21.851 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -35.972 5.890 19.225 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -35.198 6.454 20.710 1.00 0.00 H new ATOM 362 N ALA A 27 -30.925 1.613 14.577 1.00 0.00 N ATOM 363 CA ALA A 27 -29.787 0.891 14.036 1.00 0.00 C ATOM 364 C ALA A 27 -28.717 1.891 13.594 1.00 0.00 C ATOM 365 O ALA A 27 -27.525 1.593 13.644 1.00 0.00 O ATOM 366 CB ALA A 27 -30.252 -0.010 12.889 1.00 0.00 C ATOM 0 H ALA A 27 -31.764 1.583 13.998 1.00 0.00 H new ATOM 0 HA ALA A 27 -29.344 0.248 14.797 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.398 -0.552 12.483 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.989 -0.721 13.261 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.700 0.601 12.105 1.00 0.00 H new ATOM 372 N ARG A 28 -29.182 3.058 13.171 1.00 0.00 N ATOM 373 CA ARG A 28 -28.280 4.104 12.721 1.00 0.00 C ATOM 374 C ARG A 28 -27.357 4.537 13.862 1.00 0.00 C ATOM 375 O ARG A 28 -26.218 4.937 13.627 1.00 0.00 O ATOM 376 CB ARG A 28 -29.056 5.320 12.213 1.00 0.00 C ATOM 377 CG ARG A 28 -28.302 6.018 11.079 1.00 0.00 C ATOM 378 CD ARG A 28 -27.580 7.267 11.589 1.00 0.00 C ATOM 379 NE ARG A 28 -26.940 7.978 10.460 1.00 0.00 N ATOM 380 CZ ARG A 28 -27.589 8.828 9.636 1.00 0.00 C ATOM 381 NH1 ARG A 28 -28.904 9.080 9.809 1.00 0.00 N ATOM 382 NH2 ARG A 28 -26.919 9.409 8.659 1.00 0.00 N ATOM 0 H ARG A 28 -30.172 3.302 13.131 1.00 0.00 H new ATOM 0 HA ARG A 28 -27.686 3.699 11.902 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.039 5.007 11.862 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.218 6.021 13.032 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -27.580 5.330 10.640 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -29.000 6.294 10.289 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -28.288 7.927 12.091 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -26.828 6.987 12.326 1.00 0.00 H new ATOM 0 HE ARG A 28 -25.947 7.816 10.294 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -29.415 8.627 10.567 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -29.387 9.724 9.182 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -25.926 9.213 8.535 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -27.394 10.054 8.028 1.00 0.00 H new ATOM 395 N GLU A 29 -27.884 4.442 15.075 1.00 0.00 N ATOM 396 CA GLU A 29 -27.122 4.819 16.253 1.00 0.00 C ATOM 397 C GLU A 29 -26.180 3.685 16.661 1.00 0.00 C ATOM 398 O GLU A 29 -25.157 3.923 17.300 1.00 0.00 O ATOM 399 CB GLU A 29 -28.051 5.203 17.407 1.00 0.00 C ATOM 400 CG GLU A 29 -27.661 6.560 17.996 1.00 0.00 C ATOM 401 CD GLU A 29 -28.318 6.774 19.362 1.00 0.00 C ATOM 402 OE1 GLU A 29 -28.127 5.958 20.276 1.00 0.00 O ATOM 403 OE2 GLU A 29 -29.048 7.832 19.456 1.00 0.00 O ATOM 0 H GLU A 29 -28.829 4.109 15.267 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.520 5.694 16.008 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -29.081 5.239 17.053 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -28.007 4.439 18.183 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -26.577 6.619 18.096 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -27.962 7.356 17.315 1.00 0.00 H new ATOM 411 N ARG A 30 -26.560 2.476 16.276 1.00 0.00 N ATOM 412 CA ARG A 30 -25.762 1.304 16.594 1.00 0.00 C ATOM 413 C ARG A 30 -24.746 1.036 15.482 1.00 0.00 C ATOM 414 O ARG A 30 -23.675 0.485 15.734 1.00 0.00 O ATOM 415 CB ARG A 30 -26.646 0.068 16.776 1.00 0.00 C ATOM 416 CG ARG A 30 -26.974 -0.158 18.253 1.00 0.00 C ATOM 417 CD ARG A 30 -26.265 -1.403 18.788 1.00 0.00 C ATOM 418 NE ARG A 30 -27.251 -2.479 19.038 1.00 0.00 N ATOM 419 CZ ARG A 30 -26.937 -3.789 19.122 1.00 0.00 C ATOM 420 NH1 ARG A 30 -25.658 -4.198 18.977 1.00 0.00 N ATOM 421 NH2 ARG A 30 -27.898 -4.664 19.349 1.00 0.00 N ATOM 0 H ARG A 30 -27.410 2.282 15.747 1.00 0.00 H new ATOM 0 HA ARG A 30 -25.239 1.503 17.529 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.569 0.190 16.209 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -26.139 -0.809 16.374 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -26.673 0.714 18.834 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -28.051 -0.267 18.377 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -25.518 -1.743 18.071 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -25.736 -1.162 19.710 1.00 0.00 H new ATOM 0 HE ARG A 30 -28.229 -2.214 19.154 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -24.921 -3.515 18.803 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -25.429 -5.190 19.042 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -28.861 -4.347 19.458 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -27.678 -5.658 19.415 1.00 0.00 H new ATOM 434 N GLU A 31 -25.118 1.437 14.275 1.00 0.00 N ATOM 435 CA GLU A 31 -24.253 1.247 13.123 1.00 0.00 C ATOM 436 C GLU A 31 -23.336 2.458 12.942 1.00 0.00 C ATOM 437 O GLU A 31 -22.717 2.622 11.892 1.00 0.00 O ATOM 438 CB GLU A 31 -25.072 0.986 11.858 1.00 0.00 C ATOM 439 CG GLU A 31 -25.415 -0.499 11.723 1.00 0.00 C ATOM 440 CD GLU A 31 -26.623 -0.702 10.806 1.00 0.00 C ATOM 441 OE1 GLU A 31 -27.737 -0.276 11.145 1.00 0.00 O ATOM 442 OE2 GLU A 31 -26.373 -1.327 9.706 1.00 0.00 O ATOM 0 H GLU A 31 -26.007 1.893 14.070 1.00 0.00 H new ATOM 0 HA GLU A 31 -23.632 0.369 13.301 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -25.990 1.574 11.887 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -24.511 1.314 10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.556 -1.039 11.324 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -25.626 -0.918 12.707 1.00 0.00 H new ATOM 450 N ARG A 32 -23.277 3.276 13.983 1.00 0.00 N ATOM 451 CA ARG A 32 -22.447 4.468 13.952 1.00 0.00 C ATOM 452 C ARG A 32 -20.984 4.089 13.713 1.00 0.00 C ATOM 453 O ARG A 32 -20.230 4.857 13.118 1.00 0.00 O ATOM 454 CB ARG A 32 -22.557 5.250 15.263 1.00 0.00 C ATOM 455 CG ARG A 32 -22.287 4.345 16.466 1.00 0.00 C ATOM 456 CD ARG A 32 -20.894 4.603 17.045 1.00 0.00 C ATOM 457 NE ARG A 32 -20.970 4.701 18.520 1.00 0.00 N ATOM 458 CZ ARG A 32 -20.069 5.356 19.282 1.00 0.00 C ATOM 459 NH1 ARG A 32 -19.014 5.978 18.714 1.00 0.00 N ATOM 460 NH2 ARG A 32 -20.235 5.380 20.591 1.00 0.00 N ATOM 0 H ARG A 32 -23.791 3.136 14.853 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.801 5.098 13.136 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -21.846 6.076 15.258 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -23.552 5.686 15.348 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -23.042 4.519 17.233 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -22.372 3.301 16.166 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -20.218 3.797 16.760 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -20.484 5.524 16.632 1.00 0.00 H new ATOM 0 HE ARG A 32 -21.752 4.245 18.990 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -18.893 5.955 17.701 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -18.338 6.471 19.297 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -21.035 4.908 21.012 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.563 5.871 21.181 1.00 0.00 H new ATOM 473 N LEU A 33 -20.627 2.906 14.191 1.00 0.00 N ATOM 474 CA LEU A 33 -19.267 2.416 14.037 1.00 0.00 C ATOM 475 C LEU A 33 -19.157 1.634 12.726 1.00 0.00 C ATOM 476 O LEU A 33 -18.055 1.346 12.262 1.00 0.00 O ATOM 477 CB LEU A 33 -18.844 1.614 15.269 1.00 0.00 C ATOM 478 CG LEU A 33 -17.544 2.057 15.943 1.00 0.00 C ATOM 479 CD1 LEU A 33 -17.684 3.460 16.537 1.00 0.00 C ATOM 480 CD2 LEU A 33 -17.093 1.035 16.988 1.00 0.00 C ATOM 0 H LEU A 33 -21.255 2.272 14.685 1.00 0.00 H new ATOM 0 HA LEU A 33 -18.567 3.249 13.972 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -19.647 1.665 16.004 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -18.742 0.568 14.980 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.765 2.106 15.182 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -16.746 3.750 17.010 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.925 4.168 15.744 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -18.481 3.462 17.281 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -16.167 1.374 17.452 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -17.864 0.930 17.751 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -16.926 0.072 16.506 1.00 0.00 H new ATOM 492 N ALA A 34 -20.314 1.313 12.167 1.00 0.00 N ATOM 493 CA ALA A 34 -20.362 0.570 10.919 1.00 0.00 C ATOM 494 C ALA A 34 -20.171 1.535 9.748 1.00 0.00 C ATOM 495 O ALA A 34 -20.262 1.136 8.588 1.00 0.00 O ATOM 496 CB ALA A 34 -21.682 -0.198 10.832 1.00 0.00 C ATOM 0 H ALA A 34 -21.226 1.554 12.555 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.556 -0.162 10.878 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.718 -0.755 9.896 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -21.756 -0.891 11.670 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.515 0.504 10.868 1.00 0.00 H new ATOM 502 N HIS A 35 -19.909 2.788 10.092 1.00 0.00 N ATOM 503 CA HIS A 35 -19.704 3.814 9.084 1.00 0.00 C ATOM 504 C HIS A 35 -18.218 3.893 8.726 1.00 0.00 C ATOM 505 O HIS A 35 -17.846 4.529 7.742 1.00 0.00 O ATOM 506 CB HIS A 35 -20.274 5.155 9.549 1.00 0.00 C ATOM 507 CG HIS A 35 -21.699 5.401 9.115 1.00 0.00 C ATOM 508 ND1 HIS A 35 -22.099 5.346 7.791 1.00 0.00 N ATOM 509 CD2 HIS A 35 -22.813 5.701 9.842 1.00 0.00 C ATOM 510 CE1 HIS A 35 -23.397 5.605 7.736 1.00 0.00 C ATOM 511 NE2 HIS A 35 -23.838 5.825 9.008 1.00 0.00 N ATOM 0 H HIS A 35 -19.834 3.116 11.055 1.00 0.00 H new ATOM 0 HA HIS A 35 -20.247 3.550 8.176 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -20.223 5.202 10.637 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -19.645 5.958 9.166 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -22.854 5.818 10.915 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -24.000 5.636 6.841 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -24.797 6.048 9.274 1.00 0.00 H new ATOM 519 N SER A 36 -17.410 3.236 9.546 1.00 0.00 N ATOM 520 CA SER A 36 -15.973 3.224 9.328 1.00 0.00 C ATOM 521 C SER A 36 -15.588 2.041 8.438 1.00 0.00 C ATOM 522 O SER A 36 -14.518 2.037 7.832 1.00 0.00 O ATOM 523 CB SER A 36 -15.216 3.158 10.656 1.00 0.00 C ATOM 524 OG SER A 36 -14.057 3.987 10.652 1.00 0.00 O ATOM 0 H SER A 36 -17.723 2.709 10.361 1.00 0.00 H new ATOM 0 HA SER A 36 -15.695 4.152 8.828 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.878 3.464 11.466 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.924 2.127 10.856 1.00 0.00 H new ATOM 0 HG SER A 36 -13.603 3.918 11.518 1.00 0.00 H new ATOM 530 N ARG A 37 -16.483 1.064 8.387 1.00 0.00 N ATOM 531 CA ARG A 37 -16.250 -0.122 7.581 1.00 0.00 C ATOM 532 C ARG A 37 -16.797 0.082 6.167 1.00 0.00 C ATOM 533 O ARG A 37 -16.900 -0.870 5.394 1.00 0.00 O ATOM 534 CB ARG A 37 -16.915 -1.351 8.205 1.00 0.00 C ATOM 535 CG ARG A 37 -15.992 -2.569 8.131 1.00 0.00 C ATOM 536 CD ARG A 37 -16.564 -3.739 8.935 1.00 0.00 C ATOM 537 NE ARG A 37 -15.973 -5.012 8.466 1.00 0.00 N ATOM 538 CZ ARG A 37 -15.869 -6.123 9.226 1.00 0.00 C ATOM 539 NH1 ARG A 37 -16.318 -6.128 10.499 1.00 0.00 N ATOM 540 NH2 ARG A 37 -15.322 -7.206 8.705 1.00 0.00 N ATOM 0 H ARG A 37 -17.370 1.070 8.891 1.00 0.00 H new ATOM 0 HA ARG A 37 -15.174 -0.288 7.538 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.168 -1.144 9.245 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.850 -1.566 7.687 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.860 -2.867 7.091 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.006 -2.307 8.515 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -16.354 -3.600 9.995 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -17.648 -3.770 8.827 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.622 -5.053 7.509 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -16.740 -5.288 10.894 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.235 -6.972 11.066 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.986 -7.195 7.742 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.236 -8.054 9.265 1.00 0.00 H new ATOM 553 N ALA A 38 -17.133 1.329 5.870 1.00 0.00 N ATOM 554 CA ALA A 38 -17.667 1.669 4.563 1.00 0.00 C ATOM 555 C ALA A 38 -16.515 1.794 3.563 1.00 0.00 C ATOM 556 O ALA A 38 -16.467 1.067 2.572 1.00 0.00 O ATOM 557 CB ALA A 38 -18.491 2.955 4.666 1.00 0.00 C ATOM 0 H ALA A 38 -17.045 2.116 6.513 1.00 0.00 H new ATOM 0 HA ALA A 38 -18.332 0.883 4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -18.892 3.210 3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -19.313 2.805 5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -17.856 3.767 5.021 1.00 0.00 H new ATOM 563 N ALA A 39 -15.616 2.722 3.858 1.00 0.00 N ATOM 564 CA ALA A 39 -14.468 2.951 2.998 1.00 0.00 C ATOM 565 C ALA A 39 -13.691 1.643 2.831 1.00 0.00 C ATOM 566 O ALA A 39 -13.749 0.769 3.695 1.00 0.00 O ATOM 567 CB ALA A 39 -13.605 4.070 3.585 1.00 0.00 C ATOM 0 H ALA A 39 -15.660 3.324 4.680 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.790 3.272 2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.744 4.242 2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -14.194 4.985 3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.262 3.782 4.579 1.00 0.00 H new ATOM 573 N ALA A 40 -12.983 1.551 1.715 1.00 0.00 N ATOM 574 CA ALA A 40 -12.197 0.364 1.424 1.00 0.00 C ATOM 575 C ALA A 40 -10.809 0.512 2.051 1.00 0.00 C ATOM 576 O ALA A 40 -10.450 -0.237 2.957 1.00 0.00 O ATOM 577 CB ALA A 40 -12.134 0.152 -0.090 1.00 0.00 C ATOM 0 H ALA A 40 -12.937 2.279 1.002 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.662 -0.521 1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.544 -0.738 -0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.143 0.024 -0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.670 1.019 -0.560 1.00 0.00 H new ATOM 583 N ALA A 41 -10.065 1.484 1.542 1.00 0.00 N ATOM 584 CA ALA A 41 -8.725 1.740 2.040 1.00 0.00 C ATOM 585 C ALA A 41 -7.806 0.585 1.635 1.00 0.00 C ATOM 586 O ALA A 41 -7.184 -0.046 2.488 1.00 0.00 O ATOM 587 CB ALA A 41 -8.773 1.942 3.556 1.00 0.00 C ATOM 0 H ALA A 41 -10.366 2.103 0.790 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.321 2.653 1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.767 2.134 3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.415 2.791 3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.171 1.045 4.030 1.00 0.00 H new ATOM 593 N ALA A 42 -7.750 0.344 0.334 1.00 0.00 N ATOM 594 CA ALA A 42 -6.918 -0.724 -0.195 1.00 0.00 C ATOM 595 C ALA A 42 -5.734 -0.116 -0.949 1.00 0.00 C ATOM 596 O ALA A 42 -4.582 -0.319 -0.570 1.00 0.00 O ATOM 597 CB ALA A 42 -7.765 -1.641 -1.080 1.00 0.00 C ATOM 0 H ALA A 42 -8.267 0.870 -0.370 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.515 -1.334 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.141 -2.442 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.574 -2.070 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.184 -1.065 -1.905 1.00 0.00 H new ATOM 603 N ALA A 43 -6.059 0.618 -2.004 1.00 0.00 N ATOM 604 CA ALA A 43 -5.036 1.257 -2.815 1.00 0.00 C ATOM 605 C ALA A 43 -4.049 1.985 -1.901 1.00 0.00 C ATOM 606 O ALA A 43 -2.902 2.218 -2.281 1.00 0.00 O ATOM 607 CB ALA A 43 -5.699 2.196 -3.824 1.00 0.00 C ATOM 0 H ALA A 43 -7.016 0.784 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.474 0.514 -3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.933 2.676 -4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.368 1.625 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.269 2.958 -3.292 1.00 0.00 H new ATOM 613 N VAL A 44 -4.530 2.325 -0.714 1.00 0.00 N ATOM 614 CA VAL A 44 -3.703 3.023 0.256 1.00 0.00 C ATOM 615 C VAL A 44 -3.098 2.007 1.228 1.00 0.00 C ATOM 616 O VAL A 44 -1.996 2.209 1.735 1.00 0.00 O ATOM 617 CB VAL A 44 -4.523 4.107 0.959 1.00 0.00 C ATOM 618 CG1 VAL A 44 -4.255 4.107 2.465 1.00 0.00 C ATOM 619 CG2 VAL A 44 -4.246 5.484 0.352 1.00 0.00 C ATOM 0 H VAL A 44 -5.481 2.130 -0.402 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.876 3.530 -0.241 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.578 3.880 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.850 4.887 2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.527 3.138 2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.197 4.297 2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.841 6.236 0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.188 5.722 0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.511 5.476 -0.705 1.00 0.00 H new ATOM 629 N ALA A 45 -3.846 0.938 1.457 1.00 0.00 N ATOM 630 CA ALA A 45 -3.397 -0.109 2.359 1.00 0.00 C ATOM 631 C ALA A 45 -1.903 -0.357 2.142 1.00 0.00 C ATOM 632 O ALA A 45 -1.103 -0.202 3.064 1.00 0.00 O ATOM 633 CB ALA A 45 -4.235 -1.369 2.136 1.00 0.00 C ATOM 0 H ALA A 45 -4.760 0.774 1.034 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.534 0.194 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.898 -2.154 2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.284 -1.147 2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.121 -1.704 1.105 1.00 0.00 H new ATOM 639 N ALA A 46 -1.571 -0.738 0.917 1.00 0.00 N ATOM 640 CA ALA A 46 -0.186 -1.009 0.567 1.00 0.00 C ATOM 641 C ALA A 46 0.654 0.245 0.819 1.00 0.00 C ATOM 642 O ALA A 46 1.715 0.171 1.436 1.00 0.00 O ATOM 643 CB ALA A 46 -0.110 -1.479 -0.887 1.00 0.00 C ATOM 0 H ALA A 46 -2.237 -0.866 0.155 1.00 0.00 H new ATOM 0 HA ALA A 46 0.218 -1.807 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.928 -1.682 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.699 -2.388 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.505 -0.702 -1.542 1.00 0.00 H new ATOM 649 N ALA A 47 0.147 1.366 0.329 1.00 0.00 N ATOM 650 CA ALA A 47 0.837 2.634 0.494 1.00 0.00 C ATOM 651 C ALA A 47 1.011 2.925 1.986 1.00 0.00 C ATOM 652 O ALA A 47 0.589 2.136 2.829 1.00 0.00 O ATOM 653 CB ALA A 47 0.060 3.736 -0.228 1.00 0.00 C ATOM 0 H ALA A 47 -0.734 1.423 -0.183 1.00 0.00 H new ATOM 0 HA ALA A 47 1.831 2.591 0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.578 4.687 -0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.010 3.496 -1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.942 3.811 0.194 1.00 0.00 H new ATOM 659 N THR A 48 1.634 4.061 2.266 1.00 0.00 N ATOM 660 CA THR A 48 1.869 4.466 3.641 1.00 0.00 C ATOM 661 C THR A 48 2.666 3.392 4.385 1.00 0.00 C ATOM 662 O THR A 48 2.088 2.470 4.958 1.00 0.00 O ATOM 663 CB THR A 48 0.514 4.769 4.283 1.00 0.00 C ATOM 664 OG1 THR A 48 -0.106 5.675 3.374 1.00 0.00 O ATOM 665 CG2 THR A 48 0.646 5.574 5.578 1.00 0.00 C ATOM 0 H THR A 48 1.983 4.713 1.564 1.00 0.00 H new ATOM 0 HA THR A 48 2.477 5.369 3.688 1.00 0.00 H new ATOM 0 HB THR A 48 -0.007 3.834 4.488 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.992 5.923 3.712 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.345 5.762 5.992 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.240 5.010 6.298 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.137 6.524 5.367 1.00 0.00 H new ATOM 673 N ALA A 49 3.982 3.547 4.351 1.00 0.00 N ATOM 674 CA ALA A 49 4.864 2.603 5.014 1.00 0.00 C ATOM 675 C ALA A 49 4.375 2.373 6.445 1.00 0.00 C ATOM 676 O ALA A 49 4.657 1.335 7.043 1.00 0.00 O ATOM 677 CB ALA A 49 6.301 3.126 4.966 1.00 0.00 C ATOM 0 H ALA A 49 4.458 4.313 3.874 1.00 0.00 H new ATOM 0 HA ALA A 49 4.850 1.641 4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.963 2.417 5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.611 3.244 3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.355 4.090 5.472 1.00 0.00 H new ATOM 683 N ALA A 50 3.650 3.358 6.954 1.00 0.00 N ATOM 684 CA ALA A 50 3.119 3.276 8.304 1.00 0.00 C ATOM 685 C ALA A 50 1.792 2.513 8.280 1.00 0.00 C ATOM 686 O ALA A 50 0.795 2.978 8.830 1.00 0.00 O ATOM 687 CB ALA A 50 2.970 4.686 8.881 1.00 0.00 C ATOM 0 H ALA A 50 3.418 4.217 6.456 1.00 0.00 H new ATOM 0 HA ALA A 50 3.803 2.729 8.953 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.572 4.624 9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.944 5.175 8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.288 5.264 8.257 1.00 0.00 H new ATOM 693 N VAL A 51 1.825 1.355 7.638 1.00 0.00 N ATOM 694 CA VAL A 51 0.637 0.523 7.536 1.00 0.00 C ATOM 695 C VAL A 51 1.053 -0.949 7.492 1.00 0.00 C ATOM 696 O VAL A 51 0.814 -1.636 6.501 1.00 0.00 O ATOM 697 CB VAL A 51 -0.194 0.945 6.323 1.00 0.00 C ATOM 698 CG1 VAL A 51 -1.246 -0.113 5.985 1.00 0.00 C ATOM 699 CG2 VAL A 51 -0.844 2.311 6.552 1.00 0.00 C ATOM 0 H VAL A 51 2.654 0.973 7.183 1.00 0.00 H new ATOM 0 HA VAL A 51 0.001 0.656 8.411 1.00 0.00 H new ATOM 0 HB VAL A 51 0.479 1.033 5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.823 0.211 5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.752 -1.058 5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.913 -0.247 6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.429 2.587 5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.498 2.262 7.423 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.069 3.059 6.722 1.00 0.00 H new ATOM 709 N GLU A 52 1.669 -1.389 8.580 1.00 0.00 N ATOM 710 CA GLU A 52 2.120 -2.766 8.679 1.00 0.00 C ATOM 711 C GLU A 52 1.071 -3.619 9.396 1.00 0.00 C ATOM 712 O GLU A 52 0.179 -3.087 10.055 1.00 0.00 O ATOM 713 CB GLU A 52 3.474 -2.850 9.388 1.00 0.00 C ATOM 714 CG GLU A 52 4.436 -3.764 8.626 1.00 0.00 C ATOM 715 CD GLU A 52 5.704 -4.025 9.441 1.00 0.00 C ATOM 716 OE1 GLU A 52 5.625 -4.242 10.659 1.00 0.00 O ATOM 717 OE2 GLU A 52 6.802 -3.999 8.764 1.00 0.00 O ATOM 0 H GLU A 52 1.866 -0.816 9.400 1.00 0.00 H new ATOM 0 HA GLU A 52 2.250 -3.158 7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.906 -1.853 9.475 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.335 -3.226 10.402 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.943 -4.710 8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.700 -3.307 7.672 1.00 0.00 H new ATOM 725 N GLY A 53 1.214 -4.927 9.244 1.00 0.00 N ATOM 726 CA GLY A 53 0.290 -5.858 9.869 1.00 0.00 C ATOM 727 C GLY A 53 0.513 -7.281 9.354 1.00 0.00 C ATOM 728 O GLY A 53 -0.399 -7.896 8.803 1.00 0.00 O ATOM 0 H GLY A 53 1.956 -5.364 8.697 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.421 -5.834 10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.736 -5.550 9.665 1.00 0.00 H new ATOM 732 N THR A 54 1.731 -7.764 9.551 1.00 0.00 N ATOM 733 CA THR A 54 2.085 -9.103 9.113 1.00 0.00 C ATOM 734 C THR A 54 1.532 -9.370 7.711 1.00 0.00 C ATOM 735 O THR A 54 0.536 -10.074 7.557 1.00 0.00 O ATOM 736 CB THR A 54 1.580 -10.094 10.164 1.00 0.00 C ATOM 737 OG1 THR A 54 2.437 -9.881 11.282 1.00 0.00 O ATOM 738 CG2 THR A 54 1.837 -11.549 9.768 1.00 0.00 C ATOM 0 H THR A 54 2.485 -7.252 10.008 1.00 0.00 H new ATOM 0 HA THR A 54 3.166 -9.218 9.029 1.00 0.00 H new ATOM 0 HB THR A 54 0.512 -9.944 10.320 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.179 -10.482 12.011 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.460 -12.210 10.548 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.327 -11.766 8.830 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.908 -11.709 9.644 1.00 0.00 H new ATOM 746 N GLY A 55 2.203 -8.791 6.726 1.00 0.00 N ATOM 747 CA GLY A 55 1.792 -8.958 5.342 1.00 0.00 C ATOM 748 C GLY A 55 2.978 -8.783 4.392 1.00 0.00 C ATOM 749 O GLY A 55 4.014 -8.244 4.780 1.00 0.00 O ATOM 0 H GLY A 55 3.028 -8.206 6.859 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.355 -9.947 5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.017 -8.231 5.099 1.00 0.00 H new ATOM 753 N GLY A 56 2.788 -9.249 3.167 1.00 0.00 N ATOM 754 CA GLY A 56 3.830 -9.151 2.159 1.00 0.00 C ATOM 755 C GLY A 56 3.561 -10.110 0.997 1.00 0.00 C ATOM 756 O GLY A 56 3.229 -11.275 1.213 1.00 0.00 O ATOM 0 H GLY A 56 1.928 -9.696 2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.885 -8.128 1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.797 -9.379 2.607 1.00 0.00 H new ATOM 760 N SER A 57 3.714 -9.585 -0.210 1.00 0.00 N ATOM 761 CA SER A 57 3.492 -10.380 -1.405 1.00 0.00 C ATOM 762 C SER A 57 4.819 -10.622 -2.127 1.00 0.00 C ATOM 763 O SER A 57 5.803 -9.928 -1.874 1.00 0.00 O ATOM 764 CB SER A 57 2.494 -9.698 -2.343 1.00 0.00 C ATOM 765 OG SER A 57 1.563 -10.623 -2.897 1.00 0.00 O ATOM 0 H SER A 57 3.989 -8.619 -0.386 1.00 0.00 H new ATOM 0 HA SER A 57 3.070 -11.339 -1.104 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.955 -8.924 -1.797 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.035 -9.202 -3.149 1.00 0.00 H new ATOM 0 HG SER A 57 0.942 -10.148 -3.488 1.00 0.00 H new ATOM 771 N GLY A 58 4.804 -11.608 -3.012 1.00 0.00 N ATOM 772 CA GLY A 58 5.994 -11.950 -3.772 1.00 0.00 C ATOM 773 C GLY A 58 5.682 -12.040 -5.267 1.00 0.00 C ATOM 774 O GLY A 58 4.926 -11.228 -5.797 1.00 0.00 O ATOM 0 H GLY A 58 3.986 -12.181 -3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.766 -11.200 -3.602 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.392 -12.902 -3.422 1.00 0.00 H new ATOM 778 N GLY A 59 6.281 -13.035 -5.905 1.00 0.00 N ATOM 779 CA GLY A 59 6.077 -13.242 -7.329 1.00 0.00 C ATOM 780 C GLY A 59 7.299 -13.904 -7.967 1.00 0.00 C ATOM 781 O GLY A 59 8.254 -13.225 -8.341 1.00 0.00 O ATOM 0 H GLY A 59 6.908 -13.707 -5.462 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.197 -13.866 -7.487 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.882 -12.286 -7.815 1.00 0.00 H new ATOM 785 N GLY A 60 7.230 -15.223 -8.073 1.00 0.00 N ATOM 786 CA GLY A 60 8.319 -15.985 -8.660 1.00 0.00 C ATOM 787 C GLY A 60 8.250 -17.454 -8.239 1.00 0.00 C ATOM 788 O GLY A 60 8.778 -17.830 -7.193 1.00 0.00 O ATOM 0 H GLY A 60 6.437 -15.783 -7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.274 -15.912 -9.747 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.274 -15.559 -8.351 1.00 0.00 H new ATOM 792 N PRO A 61 7.577 -18.267 -9.097 1.00 0.00 N ATOM 793 CA PRO A 61 7.432 -19.687 -8.825 1.00 0.00 C ATOM 794 C PRO A 61 8.741 -20.433 -9.090 1.00 0.00 C ATOM 795 O PRO A 61 9.385 -20.220 -10.116 1.00 0.00 O ATOM 796 CB PRO A 61 6.295 -20.146 -9.723 1.00 0.00 C ATOM 797 CG PRO A 61 6.156 -19.079 -10.797 1.00 0.00 C ATOM 798 CD PRO A 61 6.939 -17.858 -10.345 1.00 0.00 C ATOM 0 HA PRO A 61 7.204 -19.893 -7.779 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.514 -21.118 -10.164 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.370 -20.254 -9.157 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.537 -19.445 -11.750 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.107 -18.825 -10.949 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.679 -17.564 -11.090 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.283 -17.001 -10.192 1.00 0.00 H new ATOM 806 N HIS A 62 9.097 -21.293 -8.146 1.00 0.00 N ATOM 807 CA HIS A 62 10.318 -22.071 -8.265 1.00 0.00 C ATOM 808 C HIS A 62 10.040 -23.343 -9.069 1.00 0.00 C ATOM 809 O HIS A 62 10.611 -23.542 -10.141 1.00 0.00 O ATOM 810 CB HIS A 62 10.915 -22.360 -6.886 1.00 0.00 C ATOM 811 CG HIS A 62 12.130 -23.255 -6.918 1.00 0.00 C ATOM 812 ND1 HIS A 62 12.052 -24.631 -6.790 1.00 0.00 N ATOM 813 CD2 HIS A 62 13.453 -22.957 -7.067 1.00 0.00 C ATOM 814 CE1 HIS A 62 13.279 -25.128 -6.858 1.00 0.00 C ATOM 815 NE2 HIS A 62 14.146 -24.089 -7.029 1.00 0.00 N ATOM 0 H HIS A 62 8.561 -21.468 -7.296 1.00 0.00 H new ATOM 0 HA HIS A 62 11.068 -21.496 -8.808 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.185 -21.416 -6.413 1.00 0.00 H new ATOM 0 HB3 HIS A 62 10.152 -22.823 -6.261 1.00 0.00 H new ATOM 0 HD2 HIS A 62 13.867 -21.968 -7.194 1.00 0.00 H new ATOM 0 HE1 HIS A 62 13.545 -26.172 -6.790 1.00 0.00 H new ATOM 0 HE2 HIS A 62 15.159 -24.168 -7.114 1.00 0.00 H new ATOM 823 N HIS A 63 9.162 -24.171 -8.522 1.00 0.00 N ATOM 824 CA HIS A 63 8.801 -25.418 -9.174 1.00 0.00 C ATOM 825 C HIS A 63 8.679 -25.191 -10.682 1.00 0.00 C ATOM 826 O HIS A 63 7.873 -24.374 -11.128 1.00 0.00 O ATOM 827 CB HIS A 63 7.530 -26.005 -8.558 1.00 0.00 C ATOM 828 CG HIS A 63 6.978 -27.194 -9.307 1.00 0.00 C ATOM 829 ND1 HIS A 63 5.849 -27.119 -10.105 1.00 0.00 N ATOM 830 CD2 HIS A 63 7.410 -28.486 -9.371 1.00 0.00 C ATOM 831 CE1 HIS A 63 5.621 -28.318 -10.621 1.00 0.00 C ATOM 832 NE2 HIS A 63 6.589 -29.164 -10.165 1.00 0.00 N ATOM 0 H HIS A 63 8.690 -24.002 -7.634 1.00 0.00 H new ATOM 0 HA HIS A 63 9.586 -26.157 -9.015 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.740 -26.301 -7.530 1.00 0.00 H new ATOM 0 HB3 HIS A 63 6.766 -25.228 -8.516 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.273 -28.889 -8.862 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.811 -28.579 -11.286 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.669 -30.154 -10.396 1.00 0.00 H new ATOM 840 N HIS A 64 9.490 -25.927 -11.427 1.00 0.00 N ATOM 841 CA HIS A 64 9.482 -25.817 -12.876 1.00 0.00 C ATOM 842 C HIS A 64 9.420 -27.214 -13.497 1.00 0.00 C ATOM 843 O HIS A 64 8.463 -27.544 -14.195 1.00 0.00 O ATOM 844 CB HIS A 64 10.683 -25.004 -13.365 1.00 0.00 C ATOM 845 CG HIS A 64 10.484 -24.370 -14.721 1.00 0.00 C ATOM 846 ND1 HIS A 64 11.001 -23.130 -15.052 1.00 0.00 N ATOM 847 CD2 HIS A 64 9.821 -24.818 -15.825 1.00 0.00 C ATOM 848 CE1 HIS A 64 10.658 -22.853 -16.302 1.00 0.00 C ATOM 849 NE2 HIS A 64 9.926 -23.901 -16.779 1.00 0.00 N ATOM 0 H HIS A 64 10.157 -26.602 -11.054 1.00 0.00 H new ATOM 0 HA HIS A 64 8.593 -25.275 -13.198 1.00 0.00 H new ATOM 0 HB2 HIS A 64 10.900 -24.222 -12.638 1.00 0.00 H new ATOM 0 HB3 HIS A 64 11.557 -25.654 -13.404 1.00 0.00 H new ATOM 0 HD2 HIS A 64 9.299 -25.760 -15.909 1.00 0.00 H new ATOM 0 HE1 HIS A 64 10.913 -21.956 -16.847 1.00 0.00 H new ATOM 0 HE2 HIS A 64 9.525 -23.969 -17.715 1.00 0.00 H new ATOM 857 N HIS A 65 10.453 -27.996 -13.221 1.00 0.00 N ATOM 858 CA HIS A 65 10.528 -29.349 -13.743 1.00 0.00 C ATOM 859 C HIS A 65 9.137 -29.986 -13.720 1.00 0.00 C ATOM 860 O HIS A 65 8.319 -29.668 -12.859 1.00 0.00 O ATOM 861 CB HIS A 65 11.568 -30.171 -12.979 1.00 0.00 C ATOM 862 CG HIS A 65 11.865 -31.516 -13.598 1.00 0.00 C ATOM 863 ND1 HIS A 65 11.894 -31.909 -14.903 1.00 0.00 N flip ATOM 864 CD2 HIS A 65 12.175 -32.635 -12.845 1.00 0.00 C flip ATOM 865 CE1 HIS A 65 12.207 -33.198 -14.947 1.00 0.00 C flip ATOM 866 NE2 HIS A 65 12.381 -33.650 -13.671 1.00 0.00 N flip ATOM 0 H HIS A 65 11.245 -27.718 -12.642 1.00 0.00 H new ATOM 0 HA HIS A 65 10.862 -29.323 -14.780 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.494 -29.599 -12.917 1.00 0.00 H new ATOM 0 HB3 HIS A 65 11.218 -30.322 -11.958 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.238 -32.674 -11.768 1.00 0.00 H new ATOM 0 HE1 HIS A 65 12.307 -33.791 -15.844 1.00 0.00 H new ATOM 0 HE2 HIS A 65 12.627 -34.602 -13.401 1.00 0.00 H new ATOM 874 N GLN A 66 8.912 -30.874 -14.678 1.00 0.00 N ATOM 875 CA GLN A 66 7.634 -31.558 -14.778 1.00 0.00 C ATOM 876 C GLN A 66 7.420 -32.464 -13.564 1.00 0.00 C ATOM 877 O GLN A 66 8.341 -32.684 -12.779 1.00 0.00 O ATOM 878 CB GLN A 66 7.540 -32.355 -16.081 1.00 0.00 C ATOM 879 CG GLN A 66 8.550 -33.504 -16.095 1.00 0.00 C ATOM 880 CD GLN A 66 8.297 -34.443 -17.276 1.00 0.00 C ATOM 881 OE1 GLN A 66 7.387 -35.255 -17.273 1.00 0.00 O ATOM 882 NE2 GLN A 66 9.151 -34.286 -18.284 1.00 0.00 N ATOM 0 H GLN A 66 9.593 -31.135 -15.391 1.00 0.00 H new ATOM 0 HA GLN A 66 6.843 -30.809 -14.791 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.531 -32.751 -16.197 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.723 -31.695 -16.929 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.562 -33.103 -16.155 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.484 -34.062 -15.161 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.891 -33.587 -18.221 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.066 -34.865 -19.119 1.00 0.00 H new ATOM 891 N THR A 67 6.199 -32.965 -13.448 1.00 0.00 N ATOM 892 CA THR A 67 5.852 -33.843 -12.343 1.00 0.00 C ATOM 893 C THR A 67 6.833 -35.014 -12.264 1.00 0.00 C ATOM 894 O THR A 67 7.517 -35.322 -13.238 1.00 0.00 O ATOM 895 CB THR A 67 4.397 -34.280 -12.524 1.00 0.00 C ATOM 896 OG1 THR A 67 3.718 -33.082 -12.892 1.00 0.00 O ATOM 897 CG2 THR A 67 3.740 -34.691 -11.206 1.00 0.00 C ATOM 0 H THR A 67 5.438 -32.780 -14.101 1.00 0.00 H new ATOM 0 HA THR A 67 5.934 -33.326 -11.387 1.00 0.00 H new ATOM 0 HB THR A 67 4.353 -35.113 -13.226 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.767 -33.274 -13.031 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.709 -34.992 -11.392 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.289 -35.526 -10.771 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.753 -33.848 -10.515 1.00 0.00 H new ATOM 905 N ARG A 68 6.871 -35.634 -11.093 1.00 0.00 N ATOM 906 CA ARG A 68 7.757 -36.765 -10.874 1.00 0.00 C ATOM 907 C ARG A 68 9.217 -36.332 -11.023 1.00 0.00 C ATOM 908 O ARG A 68 9.717 -36.198 -12.139 1.00 0.00 O ATOM 909 CB ARG A 68 7.463 -37.895 -11.864 1.00 0.00 C ATOM 910 CG ARG A 68 8.245 -39.159 -11.500 1.00 0.00 C ATOM 911 CD ARG A 68 8.118 -40.217 -12.598 1.00 0.00 C ATOM 912 NE ARG A 68 9.213 -40.060 -13.581 1.00 0.00 N ATOM 913 CZ ARG A 68 9.611 -41.029 -14.431 1.00 0.00 C ATOM 914 NH1 ARG A 68 9.006 -42.236 -14.426 1.00 0.00 N ATOM 915 NH2 ARG A 68 10.601 -40.780 -15.268 1.00 0.00 N ATOM 0 H ARG A 68 6.303 -35.375 -10.287 1.00 0.00 H new ATOM 0 HA ARG A 68 7.584 -37.130 -9.862 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.395 -38.112 -11.867 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.727 -37.578 -12.873 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.296 -38.910 -11.349 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.874 -39.562 -10.557 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.152 -41.214 -12.159 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.154 -40.121 -13.097 1.00 0.00 H new ATOM 0 HE ARG A 68 9.697 -39.163 -13.618 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.242 -42.421 -13.776 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.313 -42.963 -15.072 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.053 -39.866 -15.266 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.914 -41.502 -15.917 1.00 0.00 H new ATOM 928 N GLY A 69 9.859 -36.125 -9.883 1.00 0.00 N ATOM 929 CA GLY A 69 11.251 -35.710 -9.873 1.00 0.00 C ATOM 930 C GLY A 69 11.953 -36.179 -8.597 1.00 0.00 C ATOM 931 O GLY A 69 12.249 -35.373 -7.715 1.00 0.00 O ATOM 0 H GLY A 69 9.441 -36.237 -8.959 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.762 -36.118 -10.745 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.311 -34.624 -9.948 1.00 0.00 H new ATOM 935 N ALA A 70 12.201 -37.479 -8.539 1.00 0.00 N ATOM 936 CA ALA A 70 12.863 -38.064 -7.385 1.00 0.00 C ATOM 937 C ALA A 70 13.651 -39.299 -7.827 1.00 0.00 C ATOM 938 O ALA A 70 13.126 -40.152 -8.540 1.00 0.00 O ATOM 939 CB ALA A 70 11.824 -38.389 -6.310 1.00 0.00 C ATOM 0 H ALA A 70 11.955 -38.144 -9.272 1.00 0.00 H new ATOM 0 HA ALA A 70 13.571 -37.359 -6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.321 -38.828 -5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.313 -37.474 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.097 -39.097 -6.709 1.00 0.00 H new ATOM 945 N TYR A 71 14.899 -39.355 -7.385 1.00 0.00 N ATOM 946 CA TYR A 71 15.764 -40.471 -7.725 1.00 0.00 C ATOM 947 C TYR A 71 15.654 -41.587 -6.685 1.00 0.00 C ATOM 948 O TYR A 71 15.663 -41.325 -5.484 1.00 0.00 O ATOM 949 CB TYR A 71 17.191 -39.917 -7.713 1.00 0.00 C ATOM 950 CG TYR A 71 17.720 -39.531 -9.095 1.00 0.00 C ATOM 951 CD1 TYR A 71 18.118 -40.512 -9.980 1.00 0.00 C ATOM 952 CD2 TYR A 71 17.801 -38.202 -9.457 1.00 0.00 C ATOM 953 CE1 TYR A 71 18.617 -40.149 -11.281 1.00 0.00 C ATOM 954 CE2 TYR A 71 18.299 -37.838 -10.758 1.00 0.00 C ATOM 955 CZ TYR A 71 18.683 -38.830 -11.606 1.00 0.00 C ATOM 956 OH TYR A 71 19.154 -38.487 -12.835 1.00 0.00 O ATOM 0 H TYR A 71 15.331 -38.645 -6.794 1.00 0.00 H new ATOM 0 HA TYR A 71 15.486 -40.891 -8.692 1.00 0.00 H new ATOM 0 HB2 TYR A 71 17.224 -39.041 -7.065 1.00 0.00 H new ATOM 0 HB3 TYR A 71 17.856 -40.662 -7.276 1.00 0.00 H new ATOM 0 HD1 TYR A 71 18.055 -41.552 -9.697 1.00 0.00 H new ATOM 0 HD2 TYR A 71 17.491 -37.434 -8.764 1.00 0.00 H new ATOM 0 HE1 TYR A 71 18.932 -40.907 -11.983 1.00 0.00 H new ATOM 0 HE2 TYR A 71 18.366 -36.801 -11.054 1.00 0.00 H new ATOM 0 HH TYR A 71 19.143 -37.512 -12.929 1.00 0.00 H new ATOM 966 N SER A 72 15.553 -42.810 -7.185 1.00 0.00 N ATOM 967 CA SER A 72 15.441 -43.968 -6.314 1.00 0.00 C ATOM 968 C SER A 72 16.724 -44.799 -6.381 1.00 0.00 C ATOM 969 O SER A 72 16.992 -45.453 -7.388 1.00 0.00 O ATOM 970 CB SER A 72 14.233 -44.827 -6.692 1.00 0.00 C ATOM 971 OG SER A 72 13.005 -44.123 -6.525 1.00 0.00 O ATOM 0 H SER A 72 15.546 -43.024 -8.182 1.00 0.00 H new ATOM 0 HA SER A 72 15.297 -43.615 -5.293 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.328 -45.150 -7.729 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.222 -45.727 -6.077 1.00 0.00 H new ATOM 0 HG SER A 72 12.258 -44.704 -6.778 1.00 0.00 H new ATOM 977 N SER A 73 17.483 -44.746 -5.296 1.00 0.00 N ATOM 978 CA SER A 73 18.731 -45.485 -5.219 1.00 0.00 C ATOM 979 C SER A 73 19.162 -45.635 -3.759 1.00 0.00 C ATOM 980 O SER A 73 19.975 -44.855 -3.265 1.00 0.00 O ATOM 981 CB SER A 73 19.831 -44.795 -6.029 1.00 0.00 C ATOM 982 OG SER A 73 20.005 -45.393 -7.311 1.00 0.00 O ATOM 0 H SER A 73 17.257 -44.202 -4.463 1.00 0.00 H new ATOM 0 HA SER A 73 18.569 -46.474 -5.646 1.00 0.00 H new ATOM 0 HB2 SER A 73 19.584 -43.740 -6.151 1.00 0.00 H new ATOM 0 HB3 SER A 73 20.770 -44.840 -5.477 1.00 0.00 H new ATOM 0 HG SER A 73 19.128 -45.586 -7.704 1.00 0.00 H new ATOM 988 N HIS A 74 18.598 -46.642 -3.109 1.00 0.00 N ATOM 989 CA HIS A 74 18.913 -46.904 -1.715 1.00 0.00 C ATOM 990 C HIS A 74 18.357 -48.270 -1.311 1.00 0.00 C ATOM 991 O HIS A 74 17.324 -48.700 -1.822 1.00 0.00 O ATOM 992 CB HIS A 74 18.406 -45.770 -0.821 1.00 0.00 C ATOM 993 CG HIS A 74 18.349 -46.123 0.646 1.00 0.00 C ATOM 994 ND1 HIS A 74 19.481 -46.237 1.434 1.00 0.00 N ATOM 995 CD2 HIS A 74 17.285 -46.385 1.459 1.00 0.00 C ATOM 996 CE1 HIS A 74 19.103 -46.554 2.664 1.00 0.00 C ATOM 997 NE2 HIS A 74 17.743 -46.646 2.677 1.00 0.00 N ATOM 0 H HIS A 74 17.924 -47.287 -3.522 1.00 0.00 H new ATOM 0 HA HIS A 74 19.994 -46.937 -1.583 1.00 0.00 H new ATOM 0 HB2 HIS A 74 19.053 -44.902 -0.950 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.410 -45.477 -1.153 1.00 0.00 H new ATOM 0 HD2 HIS A 74 16.247 -46.381 1.162 1.00 0.00 H new ATOM 0 HE1 HIS A 74 19.758 -46.712 3.508 1.00 0.00 H new ATOM 0 HE2 HIS A 74 17.171 -46.877 3.489 1.00 0.00 H new ATOM 1005 N ASP A 75 19.067 -48.916 -0.397 1.00 0.00 N ATOM 1006 CA ASP A 75 18.658 -50.225 0.082 1.00 0.00 C ATOM 1007 C ASP A 75 18.200 -51.077 -1.104 1.00 0.00 C ATOM 1008 O ASP A 75 19.024 -51.634 -1.828 1.00 0.00 O ATOM 1009 CB ASP A 75 17.489 -50.112 1.062 1.00 0.00 C ATOM 1010 CG ASP A 75 17.391 -51.246 2.085 1.00 0.00 C ATOM 1011 OD1 ASP A 75 16.839 -52.319 1.798 1.00 0.00 O ATOM 1012 OD2 ASP A 75 17.918 -50.991 3.234 1.00 0.00 O ATOM 0 H ASP A 75 19.923 -48.556 0.024 1.00 0.00 H new ATOM 0 HA ASP A 75 19.510 -50.681 0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.573 -49.166 1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.560 -50.075 0.493 1.00 0.00 H new TER 1018 ASP A 75