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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.0279 (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 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 47:sc= 0.787 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.33 K(o=-0.33,f=-2.9!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= 0.0589 K(o=0.059,f=-0.6) 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 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 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 89:sc= 1.09 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.00056) USER MOD Single : A 63 HIS : no HD1:sc= -0.886 K(o=-0.89,f=-1.5!) USER MOD Single : A 64 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.764 X(o=-0.76,f=-0.36) USER MOD Single : A 66 GLN : amide:sc=-0.00833 X(o=-0.0083,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.144 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 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -59.217 -8.294 25.964 1.00 0.00 N ATOM 2 CA MET A 1 -58.857 -9.622 25.498 1.00 0.00 C ATOM 3 C MET A 1 -57.846 -9.546 24.352 1.00 0.00 C ATOM 4 O MET A 1 -57.821 -8.569 23.606 1.00 0.00 O ATOM 5 CB MET A 1 -60.113 -10.355 25.023 1.00 0.00 C ATOM 6 CG MET A 1 -60.531 -11.433 26.026 1.00 0.00 C ATOM 7 SD MET A 1 -61.220 -12.835 25.163 1.00 0.00 S ATOM 8 CE MET A 1 -62.201 -13.552 26.471 1.00 0.00 C ATOM 0 H1 MET A 1 -60.207 -8.294 26.281 1.00 0.00 H new ATOM 0 H2 MET A 1 -58.600 -8.025 26.757 1.00 0.00 H new ATOM 0 H3 MET A 1 -59.102 -7.611 25.188 1.00 0.00 H new ATOM 0 HA MET A 1 -58.400 -10.165 26.325 1.00 0.00 H new ATOM 0 HB2 MET A 1 -60.926 -9.642 24.890 1.00 0.00 H new ATOM 0 HB3 MET A 1 -59.927 -10.811 24.050 1.00 0.00 H new ATOM 0 HG2 MET A 1 -59.670 -11.746 26.616 1.00 0.00 H new ATOM 0 HG3 MET A 1 -61.265 -11.028 26.723 1.00 0.00 H new ATOM 0 HE1 MET A 1 -62.704 -14.445 26.101 1.00 0.00 H new ATOM 0 HE2 MET A 1 -61.554 -13.820 27.306 1.00 0.00 H new ATOM 0 HE3 MET A 1 -62.945 -12.829 26.806 1.00 0.00 H new ATOM 18 N GLU A 2 -57.038 -10.591 24.248 1.00 0.00 N ATOM 19 CA GLU A 2 -56.028 -10.655 23.205 1.00 0.00 C ATOM 20 C GLU A 2 -56.294 -11.844 22.280 1.00 0.00 C ATOM 21 O GLU A 2 -55.629 -12.873 22.379 1.00 0.00 O ATOM 22 CB GLU A 2 -54.623 -10.732 23.806 1.00 0.00 C ATOM 23 CG GLU A 2 -53.556 -10.719 22.710 1.00 0.00 C ATOM 24 CD GLU A 2 -52.157 -10.551 23.308 1.00 0.00 C ATOM 25 OE1 GLU A 2 -51.563 -9.469 23.200 1.00 0.00 O ATOM 26 OE2 GLU A 2 -51.691 -11.596 23.903 1.00 0.00 O ATOM 0 H GLU A 2 -57.062 -11.400 24.869 1.00 0.00 H new ATOM 0 HA GLU A 2 -56.086 -9.741 22.615 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -54.466 -9.891 24.481 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -54.527 -11.640 24.401 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -53.603 -11.647 22.141 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -53.757 -9.907 22.012 1.00 0.00 H new ATOM 34 N VAL A 3 -57.270 -11.662 21.401 1.00 0.00 N ATOM 35 CA VAL A 3 -57.632 -12.707 20.459 1.00 0.00 C ATOM 36 C VAL A 3 -56.602 -12.748 19.328 1.00 0.00 C ATOM 37 O VAL A 3 -55.882 -11.777 19.105 1.00 0.00 O ATOM 38 CB VAL A 3 -59.061 -12.487 19.959 1.00 0.00 C ATOM 39 CG1 VAL A 3 -59.571 -13.714 19.199 1.00 0.00 C ATOM 40 CG2 VAL A 3 -59.998 -12.130 21.114 1.00 0.00 C ATOM 0 H VAL A 3 -57.820 -10.807 21.322 1.00 0.00 H new ATOM 0 HA VAL A 3 -57.618 -13.682 20.946 1.00 0.00 H new ATOM 0 HB VAL A 3 -59.047 -11.645 19.267 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -60.589 -13.531 18.854 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -58.926 -13.905 18.341 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -59.562 -14.581 19.860 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -61.007 -11.979 20.731 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -60.004 -12.941 21.842 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -59.652 -11.215 21.594 1.00 0.00 H new ATOM 50 N ALA A 4 -56.566 -13.883 18.645 1.00 0.00 N ATOM 51 CA ALA A 4 -55.637 -14.063 17.543 1.00 0.00 C ATOM 52 C ALA A 4 -56.216 -13.418 16.282 1.00 0.00 C ATOM 53 O ALA A 4 -56.772 -14.106 15.428 1.00 0.00 O ATOM 54 CB ALA A 4 -55.350 -15.554 17.355 1.00 0.00 C ATOM 0 H ALA A 4 -57.165 -14.687 18.834 1.00 0.00 H new ATOM 0 HA ALA A 4 -54.688 -13.572 17.758 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -54.653 -15.689 16.528 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -54.913 -15.958 18.268 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -56.280 -16.079 17.135 1.00 0.00 H new ATOM 60 N MET A 5 -56.066 -12.103 16.206 1.00 0.00 N ATOM 61 CA MET A 5 -56.567 -11.357 15.065 1.00 0.00 C ATOM 62 C MET A 5 -55.504 -11.252 13.970 1.00 0.00 C ATOM 63 O MET A 5 -54.319 -11.460 14.227 1.00 0.00 O ATOM 64 CB MET A 5 -56.980 -9.954 15.513 1.00 0.00 C ATOM 65 CG MET A 5 -58.381 -9.965 16.127 1.00 0.00 C ATOM 66 SD MET A 5 -59.531 -9.139 15.039 1.00 0.00 S ATOM 67 CE MET A 5 -60.544 -8.296 16.242 1.00 0.00 C ATOM 0 H MET A 5 -55.604 -11.536 16.917 1.00 0.00 H new ATOM 0 HA MET A 5 -57.429 -11.886 14.659 1.00 0.00 H new ATOM 0 HB2 MET A 5 -56.263 -9.575 16.241 1.00 0.00 H new ATOM 0 HB3 MET A 5 -56.958 -9.275 14.661 1.00 0.00 H new ATOM 0 HG2 MET A 5 -58.704 -10.992 16.299 1.00 0.00 H new ATOM 0 HG3 MET A 5 -58.366 -9.469 17.098 1.00 0.00 H new ATOM 0 HE1 MET A 5 -61.320 -7.727 15.730 1.00 0.00 H new ATOM 0 HE2 MET A 5 -61.008 -9.027 16.904 1.00 0.00 H new ATOM 0 HE3 MET A 5 -59.924 -7.618 16.828 1.00 0.00 H new ATOM 77 N VAL A 6 -55.965 -10.928 12.770 1.00 0.00 N ATOM 78 CA VAL A 6 -55.069 -10.793 11.635 1.00 0.00 C ATOM 79 C VAL A 6 -54.114 -9.623 11.882 1.00 0.00 C ATOM 80 O VAL A 6 -54.039 -9.102 12.993 1.00 0.00 O ATOM 81 CB VAL A 6 -55.877 -10.643 10.345 1.00 0.00 C ATOM 82 CG1 VAL A 6 -56.303 -9.189 10.130 1.00 0.00 C ATOM 83 CG2 VAL A 6 -55.092 -11.168 9.141 1.00 0.00 C ATOM 0 H VAL A 6 -56.948 -10.755 12.560 1.00 0.00 H new ATOM 0 HA VAL A 6 -54.461 -11.690 11.519 1.00 0.00 H new ATOM 0 HB VAL A 6 -56.780 -11.245 10.444 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -56.876 -9.111 9.206 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -56.919 -8.863 10.968 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -55.418 -8.557 10.063 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -55.690 -11.049 8.237 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -54.164 -10.606 9.039 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -54.863 -12.223 9.288 1.00 0.00 H new ATOM 93 N SER A 7 -53.409 -9.243 10.826 1.00 0.00 N ATOM 94 CA SER A 7 -52.462 -8.145 10.914 1.00 0.00 C ATOM 95 C SER A 7 -53.194 -6.810 10.760 1.00 0.00 C ATOM 96 O SER A 7 -54.363 -6.779 10.377 1.00 0.00 O ATOM 97 CB SER A 7 -51.367 -8.275 9.854 1.00 0.00 C ATOM 98 OG SER A 7 -51.901 -8.285 8.533 1.00 0.00 O ATOM 0 H SER A 7 -53.475 -9.676 9.905 1.00 0.00 H new ATOM 0 HA SER A 7 -51.987 -8.181 11.894 1.00 0.00 H new ATOM 0 HB2 SER A 7 -50.665 -7.447 9.955 1.00 0.00 H new ATOM 0 HB3 SER A 7 -50.805 -9.193 10.025 1.00 0.00 H new ATOM 0 HG SER A 7 -51.170 -8.368 7.885 1.00 0.00 H new ATOM 104 N ALA A 8 -52.476 -5.739 11.066 1.00 0.00 N ATOM 105 CA ALA A 8 -53.043 -4.405 10.966 1.00 0.00 C ATOM 106 C ALA A 8 -52.997 -3.944 9.508 1.00 0.00 C ATOM 107 O ALA A 8 -52.263 -3.017 9.169 1.00 0.00 O ATOM 108 CB ALA A 8 -52.287 -3.458 11.901 1.00 0.00 C ATOM 0 H ALA A 8 -51.507 -5.768 11.383 1.00 0.00 H new ATOM 0 HA ALA A 8 -54.087 -4.407 11.278 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -52.712 -2.457 11.826 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -52.374 -3.814 12.928 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -51.235 -3.428 11.616 1.00 0.00 H new ATOM 114 N GLU A 9 -53.791 -4.612 8.684 1.00 0.00 N ATOM 115 CA GLU A 9 -53.851 -4.283 7.271 1.00 0.00 C ATOM 116 C GLU A 9 -53.785 -2.767 7.075 1.00 0.00 C ATOM 117 O GLU A 9 -54.187 -2.006 7.955 1.00 0.00 O ATOM 118 CB GLU A 9 -55.110 -4.864 6.625 1.00 0.00 C ATOM 119 CG GLU A 9 -56.302 -3.921 6.799 1.00 0.00 C ATOM 120 CD GLU A 9 -57.621 -4.646 6.524 1.00 0.00 C ATOM 121 OE1 GLU A 9 -57.682 -5.503 5.630 1.00 0.00 O ATOM 122 OE2 GLU A 9 -58.605 -4.292 7.278 1.00 0.00 O ATOM 0 H GLU A 9 -54.398 -5.380 8.969 1.00 0.00 H new ATOM 0 HA GLU A 9 -52.989 -4.732 6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -54.931 -5.038 5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -55.339 -5.831 7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -56.308 -3.520 7.813 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -56.201 -3.073 6.122 1.00 0.00 H new ATOM 130 N SER A 10 -53.275 -2.373 5.918 1.00 0.00 N ATOM 131 CA SER A 10 -53.151 -0.961 5.596 1.00 0.00 C ATOM 132 C SER A 10 -54.393 -0.486 4.840 1.00 0.00 C ATOM 133 O SER A 10 -55.084 0.429 5.285 1.00 0.00 O ATOM 134 CB SER A 10 -51.892 -0.693 4.771 1.00 0.00 C ATOM 135 OG SER A 10 -50.706 -1.058 5.471 1.00 0.00 O ATOM 0 H SER A 10 -52.943 -3.007 5.191 1.00 0.00 H new ATOM 0 HA SER A 10 -53.066 -0.403 6.529 1.00 0.00 H new ATOM 0 HB2 SER A 10 -51.946 -1.250 3.836 1.00 0.00 H new ATOM 0 HB3 SER A 10 -51.848 0.364 4.510 1.00 0.00 H new ATOM 0 HG SER A 10 -49.925 -0.873 4.909 1.00 0.00 H new ATOM 141 N SER A 11 -54.640 -1.129 3.708 1.00 0.00 N ATOM 142 CA SER A 11 -55.786 -0.783 2.885 1.00 0.00 C ATOM 143 C SER A 11 -55.967 0.735 2.851 1.00 0.00 C ATOM 144 O SER A 11 -56.802 1.281 3.570 1.00 0.00 O ATOM 145 CB SER A 11 -57.059 -1.458 3.402 1.00 0.00 C ATOM 146 OG SER A 11 -57.379 -1.048 4.729 1.00 0.00 O ATOM 0 H SER A 11 -54.066 -1.888 3.342 1.00 0.00 H new ATOM 0 HA SER A 11 -55.601 -1.143 1.873 1.00 0.00 H new ATOM 0 HB2 SER A 11 -57.891 -1.220 2.739 1.00 0.00 H new ATOM 0 HB3 SER A 11 -56.931 -2.540 3.378 1.00 0.00 H new ATOM 0 HG SER A 11 -57.321 -0.072 4.793 1.00 0.00 H new ATOM 152 N GLY A 12 -55.171 1.375 2.006 1.00 0.00 N ATOM 153 CA GLY A 12 -55.233 2.820 1.869 1.00 0.00 C ATOM 154 C GLY A 12 -53.935 3.370 1.274 1.00 0.00 C ATOM 155 O GLY A 12 -53.948 3.989 0.211 1.00 0.00 O ATOM 0 H GLY A 12 -54.480 0.919 1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -56.074 3.093 1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -55.412 3.274 2.844 1.00 0.00 H new ATOM 159 N CYS A 13 -52.844 3.125 1.986 1.00 0.00 N ATOM 160 CA CYS A 13 -51.541 3.588 1.542 1.00 0.00 C ATOM 161 C CYS A 13 -51.505 5.113 1.664 1.00 0.00 C ATOM 162 O CYS A 13 -51.431 5.818 0.659 1.00 0.00 O ATOM 163 CB CYS A 13 -51.230 3.123 0.117 1.00 0.00 C ATOM 164 SG CYS A 13 -49.529 2.453 0.035 1.00 0.00 S ATOM 0 H CYS A 13 -52.837 2.612 2.867 1.00 0.00 H new ATOM 0 HA CYS A 13 -50.765 3.155 2.173 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -51.945 2.360 -0.190 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -51.335 3.956 -0.578 1.00 0.00 H new ATOM 0 HG CYS A 13 -49.276 2.059 -1.178 1.00 0.00 H new ATOM 170 N ASN A 14 -51.559 5.576 2.904 1.00 0.00 N ATOM 171 CA ASN A 14 -51.534 7.004 3.171 1.00 0.00 C ATOM 172 C ASN A 14 -50.091 7.447 3.420 1.00 0.00 C ATOM 173 O ASN A 14 -49.852 8.456 4.081 1.00 0.00 O ATOM 174 CB ASN A 14 -52.354 7.346 4.417 1.00 0.00 C ATOM 175 CG ASN A 14 -53.626 8.111 4.042 1.00 0.00 C ATOM 176 OD1 ASN A 14 -53.963 8.277 2.882 1.00 0.00 O ATOM 177 ND2 ASN A 14 -54.310 8.567 5.088 1.00 0.00 N ATOM 0 H ASN A 14 -51.620 4.988 3.735 1.00 0.00 H new ATOM 0 HA ASN A 14 -51.959 7.516 2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -52.618 6.430 4.946 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -51.752 7.946 5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -55.173 9.091 4.944 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -53.971 8.392 6.034 1.00 0.00 H new ATOM 184 N SER A 15 -49.165 6.670 2.877 1.00 0.00 N ATOM 185 CA SER A 15 -47.752 6.969 3.031 1.00 0.00 C ATOM 186 C SER A 15 -47.342 6.816 4.497 1.00 0.00 C ATOM 187 O SER A 15 -47.209 7.807 5.214 1.00 0.00 O ATOM 188 CB SER A 15 -47.430 8.380 2.534 1.00 0.00 C ATOM 189 OG SER A 15 -46.036 8.556 2.295 1.00 0.00 O ATOM 0 H SER A 15 -49.366 5.833 2.329 1.00 0.00 H new ATOM 0 HA SER A 15 -47.185 6.262 2.426 1.00 0.00 H new ATOM 0 HB2 SER A 15 -47.983 8.576 1.615 1.00 0.00 H new ATOM 0 HB3 SER A 15 -47.767 9.110 3.271 1.00 0.00 H new ATOM 0 HG SER A 15 -45.871 9.468 1.978 1.00 0.00 H new ATOM 195 N HIS A 16 -47.153 5.568 4.899 1.00 0.00 N ATOM 196 CA HIS A 16 -46.761 5.273 6.267 1.00 0.00 C ATOM 197 C HIS A 16 -46.575 3.764 6.433 1.00 0.00 C ATOM 198 O HIS A 16 -47.463 3.077 6.936 1.00 0.00 O ATOM 199 CB HIS A 16 -47.767 5.860 7.259 1.00 0.00 C ATOM 200 CG HIS A 16 -47.154 6.790 8.278 1.00 0.00 C ATOM 201 ND1 HIS A 16 -47.079 8.160 8.092 1.00 0.00 N ATOM 202 CD2 HIS A 16 -46.590 6.535 9.493 1.00 0.00 C ATOM 203 CE1 HIS A 16 -46.493 8.694 9.154 1.00 0.00 C ATOM 204 NE2 HIS A 16 -46.191 7.685 10.021 1.00 0.00 N ATOM 0 H HIS A 16 -47.264 4.749 4.301 1.00 0.00 H new ATOM 0 HA HIS A 16 -45.805 5.748 6.486 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -48.535 6.400 6.705 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -48.265 5.043 7.781 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -47.417 8.671 7.277 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -46.486 5.561 9.949 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -46.290 9.744 9.306 1.00 0.00 H new ATOM 212 N MET A 17 -45.414 3.292 6.002 1.00 0.00 N ATOM 213 CA MET A 17 -45.100 1.877 6.097 1.00 0.00 C ATOM 214 C MET A 17 -45.211 1.386 7.542 1.00 0.00 C ATOM 215 O MET A 17 -45.233 2.189 8.473 1.00 0.00 O ATOM 216 CB MET A 17 -43.680 1.633 5.582 1.00 0.00 C ATOM 217 CG MET A 17 -43.703 0.978 4.200 1.00 0.00 C ATOM 218 SD MET A 17 -42.122 0.224 3.855 1.00 0.00 S ATOM 219 CE MET A 17 -42.644 -1.127 2.812 1.00 0.00 C ATOM 0 H MET A 17 -44.680 3.865 5.586 1.00 0.00 H new ATOM 0 HA MET A 17 -45.816 1.324 5.489 1.00 0.00 H new ATOM 0 HB2 MET A 17 -43.140 2.579 5.531 1.00 0.00 H new ATOM 0 HB3 MET A 17 -43.140 0.995 6.282 1.00 0.00 H new ATOM 0 HG2 MET A 17 -44.491 0.226 4.158 1.00 0.00 H new ATOM 0 HG3 MET A 17 -43.933 1.724 3.439 1.00 0.00 H new ATOM 0 HE1 MET A 17 -41.773 -1.706 2.504 1.00 0.00 H new ATOM 0 HE2 MET A 17 -43.330 -1.769 3.365 1.00 0.00 H new ATOM 0 HE3 MET A 17 -43.148 -0.732 1.930 1.00 0.00 H new ATOM 229 N PRO A 18 -45.280 0.035 7.687 1.00 0.00 N ATOM 230 CA PRO A 18 -45.388 -0.571 9.002 1.00 0.00 C ATOM 231 C PRO A 18 -44.047 -0.526 9.739 1.00 0.00 C ATOM 232 O PRO A 18 -43.043 -0.088 9.181 1.00 0.00 O ATOM 233 CB PRO A 18 -45.875 -1.988 8.744 1.00 0.00 C ATOM 234 CG PRO A 18 -45.578 -2.270 7.280 1.00 0.00 C ATOM 235 CD PRO A 18 -45.257 -0.946 6.606 1.00 0.00 C ATOM 0 HA PRO A 18 -46.080 -0.038 9.654 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -45.363 -2.701 9.391 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -46.941 -2.078 8.951 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -44.739 -2.959 7.187 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -46.435 -2.744 6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -44.282 -0.976 6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -45.991 -0.705 5.837 1.00 0.00 H new ATOM 243 N TYR A 19 -44.075 -0.985 10.982 1.00 0.00 N ATOM 244 CA TYR A 19 -42.875 -1.002 11.800 1.00 0.00 C ATOM 245 C TYR A 19 -41.664 -1.464 10.988 1.00 0.00 C ATOM 246 O TYR A 19 -41.459 -2.662 10.800 1.00 0.00 O ATOM 247 CB TYR A 19 -43.141 -2.013 12.917 1.00 0.00 C ATOM 248 CG TYR A 19 -43.446 -1.375 14.274 1.00 0.00 C ATOM 249 CD1 TYR A 19 -44.712 -0.896 14.542 1.00 0.00 C ATOM 250 CD2 TYR A 19 -42.455 -1.278 15.230 1.00 0.00 C ATOM 251 CE1 TYR A 19 -45.000 -0.296 15.819 1.00 0.00 C ATOM 252 CE2 TYR A 19 -42.743 -0.678 16.507 1.00 0.00 C ATOM 253 CZ TYR A 19 -44.001 -0.217 16.738 1.00 0.00 C ATOM 254 OH TYR A 19 -44.272 0.350 17.945 1.00 0.00 O ATOM 0 H TYR A 19 -44.910 -1.348 11.442 1.00 0.00 H new ATOM 0 HA TYR A 19 -42.657 -0.005 12.182 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -43.980 -2.646 12.628 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -42.272 -2.663 13.020 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -45.487 -0.971 13.794 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -41.464 -1.652 15.020 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -45.987 0.082 16.042 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -41.977 -0.596 17.264 1.00 0.00 H new ATOM 0 HH TYR A 19 -43.465 0.337 18.501 1.00 0.00 H new ATOM 264 N GLY A 20 -40.893 -0.489 10.528 1.00 0.00 N ATOM 265 CA GLY A 20 -39.707 -0.781 9.740 1.00 0.00 C ATOM 266 C GLY A 20 -38.726 0.392 9.771 1.00 0.00 C ATOM 267 O GLY A 20 -38.063 0.625 10.780 1.00 0.00 O ATOM 0 H GLY A 20 -41.066 0.504 10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -39.221 -1.677 10.126 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -39.994 -0.993 8.710 1.00 0.00 H new ATOM 271 N TYR A 21 -38.664 1.099 8.652 1.00 0.00 N ATOM 272 CA TYR A 21 -37.774 2.243 8.538 1.00 0.00 C ATOM 273 C TYR A 21 -37.780 3.072 9.824 1.00 0.00 C ATOM 274 O TYR A 21 -36.736 3.552 10.262 1.00 0.00 O ATOM 275 CB TYR A 21 -38.327 3.095 7.394 1.00 0.00 C ATOM 276 CG TYR A 21 -37.263 3.905 6.651 1.00 0.00 C ATOM 277 CD1 TYR A 21 -36.427 4.751 7.351 1.00 0.00 C ATOM 278 CD2 TYR A 21 -37.139 3.790 5.282 1.00 0.00 C ATOM 279 CE1 TYR A 21 -35.425 5.514 6.653 1.00 0.00 C ATOM 280 CE2 TYR A 21 -36.137 4.553 4.583 1.00 0.00 C ATOM 281 CZ TYR A 21 -35.330 5.378 5.303 1.00 0.00 C ATOM 282 OH TYR A 21 -34.383 6.098 4.643 1.00 0.00 O ATOM 0 H TYR A 21 -39.215 0.902 7.817 1.00 0.00 H new ATOM 0 HA TYR A 21 -36.750 1.916 8.359 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -38.836 2.444 6.683 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -39.076 3.779 7.793 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -36.524 4.841 8.423 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -37.793 3.128 4.734 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -34.764 6.179 7.189 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -36.029 4.472 3.511 1.00 0.00 H new ATOM 0 HH TYR A 21 -34.430 5.900 3.684 1.00 0.00 H new ATOM 292 N ALA A 22 -38.968 3.215 10.393 1.00 0.00 N ATOM 293 CA ALA A 22 -39.123 3.978 11.620 1.00 0.00 C ATOM 294 C ALA A 22 -38.413 3.249 12.762 1.00 0.00 C ATOM 295 O ALA A 22 -37.652 3.858 13.513 1.00 0.00 O ATOM 296 CB ALA A 22 -40.612 4.193 11.902 1.00 0.00 C ATOM 0 H ALA A 22 -39.832 2.815 10.027 1.00 0.00 H new ATOM 0 HA ALA A 22 -38.664 4.962 11.521 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -40.729 4.765 12.822 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -41.064 4.740 11.075 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -41.105 3.227 12.010 1.00 0.00 H new ATOM 302 N ALA A 23 -38.686 1.956 12.857 1.00 0.00 N ATOM 303 CA ALA A 23 -38.082 1.138 13.895 1.00 0.00 C ATOM 304 C ALA A 23 -36.617 0.871 13.540 1.00 0.00 C ATOM 305 O ALA A 23 -35.882 0.278 14.328 1.00 0.00 O ATOM 306 CB ALA A 23 -38.886 -0.153 14.060 1.00 0.00 C ATOM 0 H ALA A 23 -39.317 1.455 12.232 1.00 0.00 H new ATOM 0 HA ALA A 23 -38.100 1.658 14.853 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.433 -0.767 14.839 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.911 0.090 14.340 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.888 -0.703 13.119 1.00 0.00 H new ATOM 312 N GLN A 24 -36.237 1.322 12.354 1.00 0.00 N ATOM 313 CA GLN A 24 -34.874 1.139 11.885 1.00 0.00 C ATOM 314 C GLN A 24 -33.992 2.298 12.354 1.00 0.00 C ATOM 315 O GLN A 24 -32.791 2.315 12.089 1.00 0.00 O ATOM 316 CB GLN A 24 -34.832 0.999 10.362 1.00 0.00 C ATOM 317 CG GLN A 24 -35.310 -0.387 9.926 1.00 0.00 C ATOM 318 CD GLN A 24 -34.136 -1.250 9.458 1.00 0.00 C ATOM 319 OE1 GLN A 24 -33.888 -1.418 8.276 1.00 0.00 O ATOM 320 NE2 GLN A 24 -33.429 -1.785 10.450 1.00 0.00 N ATOM 0 H GLN A 24 -36.849 1.814 11.703 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.484 0.215 12.312 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.460 1.764 9.905 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -33.815 1.166 10.006 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -35.819 -0.878 10.756 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -36.037 -0.288 9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -33.691 -1.604 11.419 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -32.625 -2.377 10.242 1.00 0.00 H new ATOM 329 N ALA A 25 -34.622 3.239 13.041 1.00 0.00 N ATOM 330 CA ALA A 25 -33.910 4.399 13.549 1.00 0.00 C ATOM 331 C ALA A 25 -32.818 3.938 14.517 1.00 0.00 C ATOM 332 O ALA A 25 -31.864 4.671 14.777 1.00 0.00 O ATOM 333 CB ALA A 25 -34.902 5.361 14.206 1.00 0.00 C ATOM 0 H ALA A 25 -35.619 3.222 13.258 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.424 4.937 12.735 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.367 6.231 14.587 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.639 5.682 13.470 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.407 4.856 15.030 1.00 0.00 H new ATOM 339 N ARG A 26 -32.993 2.726 15.023 1.00 0.00 N ATOM 340 CA ARG A 26 -32.034 2.159 15.955 1.00 0.00 C ATOM 341 C ARG A 26 -30.744 1.779 15.225 1.00 0.00 C ATOM 342 O ARG A 26 -29.661 1.831 15.805 1.00 0.00 O ATOM 343 CB ARG A 26 -32.605 0.919 16.646 1.00 0.00 C ATOM 344 CG ARG A 26 -32.342 0.961 18.153 1.00 0.00 C ATOM 345 CD ARG A 26 -33.264 1.968 18.843 1.00 0.00 C ATOM 346 NE ARG A 26 -33.027 1.954 20.303 1.00 0.00 N ATOM 347 CZ ARG A 26 -33.507 1.008 21.139 1.00 0.00 C ATOM 348 NH1 ARG A 26 -34.256 -0.009 20.664 1.00 0.00 N ATOM 349 NH2 ARG A 26 -33.233 1.094 22.427 1.00 0.00 N ATOM 0 H ARG A 26 -33.785 2.121 14.805 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.819 2.915 16.710 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.678 0.857 16.462 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.156 0.022 16.220 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -32.495 -0.030 18.580 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -31.302 1.230 18.337 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -33.085 2.968 18.447 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -34.305 1.723 18.633 1.00 0.00 H new ATOM 0 HE ARG A 26 -32.466 2.706 20.703 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -34.463 -0.067 19.667 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -34.615 -0.719 21.302 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -32.667 1.867 22.777 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -33.588 0.388 23.072 1.00 0.00 H new ATOM 362 N ALA A 27 -30.904 1.406 13.964 1.00 0.00 N ATOM 363 CA ALA A 27 -29.765 1.018 13.149 1.00 0.00 C ATOM 364 C ALA A 27 -28.916 2.254 12.845 1.00 0.00 C ATOM 365 O ALA A 27 -27.700 2.154 12.695 1.00 0.00 O ATOM 366 CB ALA A 27 -30.260 0.324 11.878 1.00 0.00 C ATOM 0 H ALA A 27 -31.804 1.364 13.487 1.00 0.00 H new ATOM 0 HA ALA A 27 -29.134 0.308 13.684 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.406 0.033 11.266 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.833 -0.563 12.147 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.894 1.008 11.314 1.00 0.00 H new ATOM 372 N ARG A 28 -29.591 3.391 12.763 1.00 0.00 N ATOM 373 CA ARG A 28 -28.914 4.645 12.480 1.00 0.00 C ATOM 374 C ARG A 28 -27.908 4.966 13.586 1.00 0.00 C ATOM 375 O ARG A 28 -26.880 5.593 13.333 1.00 0.00 O ATOM 376 CB ARG A 28 -29.914 5.796 12.359 1.00 0.00 C ATOM 377 CG ARG A 28 -29.644 6.627 11.103 1.00 0.00 C ATOM 378 CD ARG A 28 -29.419 8.099 11.457 1.00 0.00 C ATOM 379 NE ARG A 28 -30.688 8.850 11.329 1.00 0.00 N ATOM 380 CZ ARG A 28 -31.263 9.171 10.150 1.00 0.00 C ATOM 381 NH1 ARG A 28 -30.685 8.807 8.986 1.00 0.00 N ATOM 382 NH2 ARG A 28 -32.398 9.844 10.154 1.00 0.00 N ATOM 0 H ARG A 28 -30.600 3.470 12.888 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.391 4.533 11.530 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.929 5.399 12.326 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.850 6.433 13.241 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -28.768 6.236 10.585 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -30.486 6.539 10.416 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -29.038 8.183 12.475 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -28.664 8.529 10.798 1.00 0.00 H new ATOM 0 HE ARG A 28 -31.158 9.144 12.185 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -29.808 8.286 8.993 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -31.125 9.053 8.099 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -32.828 10.114 11.039 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -32.846 10.094 9.272 1.00 0.00 H new ATOM 395 N GLU A 29 -28.239 4.523 14.790 1.00 0.00 N ATOM 396 CA GLU A 29 -27.377 4.756 15.937 1.00 0.00 C ATOM 397 C GLU A 29 -26.240 3.733 15.962 1.00 0.00 C ATOM 398 O GLU A 29 -25.178 3.995 16.525 1.00 0.00 O ATOM 399 CB GLU A 29 -28.177 4.719 17.241 1.00 0.00 C ATOM 400 CG GLU A 29 -28.529 6.133 17.709 1.00 0.00 C ATOM 401 CD GLU A 29 -30.003 6.446 17.446 1.00 0.00 C ATOM 402 OE1 GLU A 29 -30.735 6.813 18.377 1.00 0.00 O ATOM 403 OE2 GLU A 29 -30.382 6.298 16.221 1.00 0.00 O ATOM 0 H GLU A 29 -29.092 4.004 14.996 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.942 5.751 15.844 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -29.090 4.142 17.095 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -27.599 4.210 18.012 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -28.317 6.231 18.774 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -27.901 6.858 17.191 1.00 0.00 H new ATOM 411 N ARG A 30 -26.500 2.590 15.345 1.00 0.00 N ATOM 412 CA ARG A 30 -25.512 1.527 15.290 1.00 0.00 C ATOM 413 C ARG A 30 -24.638 1.679 14.043 1.00 0.00 C ATOM 414 O ARG A 30 -23.477 1.273 14.041 1.00 0.00 O ATOM 415 CB ARG A 30 -26.182 0.152 15.269 1.00 0.00 C ATOM 416 CG ARG A 30 -26.263 -0.439 16.678 1.00 0.00 C ATOM 417 CD ARG A 30 -27.332 -1.531 16.754 1.00 0.00 C ATOM 418 NE ARG A 30 -26.707 -2.864 16.604 1.00 0.00 N ATOM 419 CZ ARG A 30 -26.074 -3.519 17.600 1.00 0.00 C ATOM 420 NH1 ARG A 30 -25.977 -2.969 18.829 1.00 0.00 N ATOM 421 NH2 ARG A 30 -25.551 -4.706 17.354 1.00 0.00 N ATOM 0 H ARG A 30 -27.382 2.377 14.878 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.893 1.603 16.184 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.184 0.238 14.848 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.621 -0.520 14.620 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.295 -0.853 16.959 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -26.492 0.350 17.394 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -27.857 -1.472 17.708 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -28.075 -1.379 15.971 1.00 0.00 H new ATOM 0 HE ARG A 30 -26.758 -3.316 15.691 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -26.384 -2.051 19.011 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -25.497 -3.471 19.576 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -25.629 -5.114 16.423 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -25.069 -5.215 18.095 1.00 0.00 H new ATOM 434 N GLU A 31 -25.230 2.266 13.013 1.00 0.00 N ATOM 435 CA GLU A 31 -24.520 2.477 11.762 1.00 0.00 C ATOM 436 C GLU A 31 -23.306 3.381 11.987 1.00 0.00 C ATOM 437 O GLU A 31 -22.389 3.410 11.168 1.00 0.00 O ATOM 438 CB GLU A 31 -25.448 3.060 10.696 1.00 0.00 C ATOM 439 CG GLU A 31 -26.205 1.952 9.962 1.00 0.00 C ATOM 440 CD GLU A 31 -25.867 1.953 8.470 1.00 0.00 C ATOM 441 OE1 GLU A 31 -24.695 2.119 8.100 1.00 0.00 O ATOM 442 OE2 GLU A 31 -26.873 1.772 7.682 1.00 0.00 O ATOM 0 H GLU A 31 -26.193 2.602 13.019 1.00 0.00 H new ATOM 0 HA GLU A 31 -24.167 1.511 11.400 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.158 3.744 11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -24.866 3.643 9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -25.951 0.985 10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -27.278 2.090 10.096 1.00 0.00 H new ATOM 450 N ARG A 32 -23.340 4.096 13.102 1.00 0.00 N ATOM 451 CA ARG A 32 -22.254 4.999 13.445 1.00 0.00 C ATOM 452 C ARG A 32 -20.939 4.226 13.565 1.00 0.00 C ATOM 453 O ARG A 32 -19.865 4.783 13.343 1.00 0.00 O ATOM 454 CB ARG A 32 -22.535 5.722 14.764 1.00 0.00 C ATOM 455 CG ARG A 32 -21.860 7.095 14.791 1.00 0.00 C ATOM 456 CD ARG A 32 -20.606 7.072 15.668 1.00 0.00 C ATOM 457 NE ARG A 32 -20.731 8.068 16.755 1.00 0.00 N ATOM 458 CZ ARG A 32 -20.522 9.393 16.595 1.00 0.00 C ATOM 459 NH1 ARG A 32 -20.177 9.892 15.390 1.00 0.00 N ATOM 460 NH2 ARG A 32 -20.662 10.192 17.637 1.00 0.00 N ATOM 0 H ARG A 32 -24.102 4.068 13.779 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.173 5.739 12.648 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.611 5.839 14.897 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.174 5.119 15.597 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -21.594 7.393 13.777 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -22.559 7.841 15.169 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -20.465 6.077 16.090 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.725 7.290 15.064 1.00 0.00 H new ATOM 0 HE ARG A 32 -20.991 7.733 17.683 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.072 9.267 14.590 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.021 10.894 15.279 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -20.924 9.806 18.544 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.508 11.195 17.535 1.00 0.00 H new ATOM 473 N LEU A 33 -21.067 2.955 13.916 1.00 0.00 N ATOM 474 CA LEU A 33 -19.902 2.100 14.068 1.00 0.00 C ATOM 475 C LEU A 33 -19.586 1.432 12.728 1.00 0.00 C ATOM 476 O LEU A 33 -18.507 0.869 12.550 1.00 0.00 O ATOM 477 CB LEU A 33 -20.111 1.109 15.215 1.00 0.00 C ATOM 478 CG LEU A 33 -19.023 1.090 16.292 1.00 0.00 C ATOM 479 CD1 LEU A 33 -19.483 1.833 17.548 1.00 0.00 C ATOM 480 CD2 LEU A 33 -18.583 -0.342 16.601 1.00 0.00 C ATOM 0 H LEU A 33 -21.960 2.497 14.099 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.029 2.692 14.343 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.064 1.333 15.694 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.194 0.107 14.793 1.00 0.00 H new ATOM 0 HG LEU A 33 -18.151 1.618 15.907 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -18.692 1.805 18.298 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -19.707 2.869 17.296 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.378 1.355 17.947 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.810 -0.327 17.369 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -19.438 -0.916 16.958 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -18.187 -0.804 15.697 1.00 0.00 H new ATOM 492 N ALA A 34 -20.547 1.517 11.820 1.00 0.00 N ATOM 493 CA ALA A 34 -20.385 0.928 10.502 1.00 0.00 C ATOM 494 C ALA A 34 -19.591 1.887 9.614 1.00 0.00 C ATOM 495 O ALA A 34 -19.409 1.631 8.425 1.00 0.00 O ATOM 496 CB ALA A 34 -21.760 0.596 9.918 1.00 0.00 C ATOM 0 H ALA A 34 -21.441 1.985 11.971 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.824 -0.004 10.565 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.638 0.154 8.929 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -22.272 -0.111 10.571 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.351 1.508 9.837 1.00 0.00 H new ATOM 502 N HIS A 35 -19.139 2.972 10.225 1.00 0.00 N ATOM 503 CA HIS A 35 -18.368 3.971 9.505 1.00 0.00 C ATOM 504 C HIS A 35 -16.878 3.635 9.597 1.00 0.00 C ATOM 505 O HIS A 35 -16.062 4.211 8.880 1.00 0.00 O ATOM 506 CB HIS A 35 -18.691 5.377 10.013 1.00 0.00 C ATOM 507 CG HIS A 35 -18.794 6.416 8.922 1.00 0.00 C ATOM 508 ND1 HIS A 35 -19.904 7.227 8.761 1.00 0.00 N ATOM 509 CD2 HIS A 35 -17.914 6.768 7.941 1.00 0.00 C ATOM 510 CE1 HIS A 35 -19.691 8.026 7.726 1.00 0.00 C ATOM 511 NE2 HIS A 35 -18.457 7.740 7.219 1.00 0.00 N ATOM 0 H HIS A 35 -19.292 3.181 11.211 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.643 3.957 8.450 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.632 5.347 10.562 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -17.920 5.683 10.720 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -16.940 6.330 7.779 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -20.374 8.773 7.350 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -18.023 8.198 6.417 1.00 0.00 H new ATOM 519 N SER A 36 -16.569 2.702 10.487 1.00 0.00 N ATOM 520 CA SER A 36 -15.192 2.282 10.682 1.00 0.00 C ATOM 521 C SER A 36 -14.863 1.116 9.748 1.00 0.00 C ATOM 522 O SER A 36 -13.694 0.845 9.477 1.00 0.00 O ATOM 523 CB SER A 36 -14.939 1.884 12.138 1.00 0.00 C ATOM 524 OG SER A 36 -15.128 2.978 13.031 1.00 0.00 O ATOM 0 H SER A 36 -17.249 2.226 11.080 1.00 0.00 H new ATOM 0 HA SER A 36 -14.541 3.123 10.445 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.611 1.071 12.414 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.922 1.505 12.239 1.00 0.00 H new ATOM 0 HG SER A 36 -14.959 2.683 13.950 1.00 0.00 H new ATOM 530 N ARG A 37 -15.914 0.458 9.283 1.00 0.00 N ATOM 531 CA ARG A 37 -15.751 -0.673 8.385 1.00 0.00 C ATOM 532 C ARG A 37 -15.748 -0.199 6.930 1.00 0.00 C ATOM 533 O ARG A 37 -15.841 -1.009 6.009 1.00 0.00 O ATOM 534 CB ARG A 37 -16.872 -1.696 8.578 1.00 0.00 C ATOM 535 CG ARG A 37 -16.321 -3.123 8.561 1.00 0.00 C ATOM 536 CD ARG A 37 -16.078 -3.634 9.983 1.00 0.00 C ATOM 537 NE ARG A 37 -14.632 -3.589 10.296 1.00 0.00 N ATOM 538 CZ ARG A 37 -13.727 -4.473 9.824 1.00 0.00 C ATOM 539 NH1 ARG A 37 -14.113 -5.480 9.011 1.00 0.00 N ATOM 540 NH2 ARG A 37 -12.460 -4.338 10.169 1.00 0.00 N ATOM 0 H ARG A 37 -16.882 0.686 9.511 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.798 -1.147 8.619 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.380 -1.510 9.524 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.615 -1.580 7.789 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -17.023 -3.782 8.049 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.389 -3.150 7.997 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -16.632 -3.025 10.697 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.448 -4.655 10.080 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.298 -2.843 10.907 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.094 -5.577 8.749 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.423 -6.144 8.659 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.177 -3.574 10.783 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.764 -4.997 9.821 1.00 0.00 H new ATOM 553 N ALA A 38 -15.639 1.111 6.768 1.00 0.00 N ATOM 554 CA ALA A 38 -15.622 1.703 5.441 1.00 0.00 C ATOM 555 C ALA A 38 -14.181 1.761 4.931 1.00 0.00 C ATOM 556 O ALA A 38 -13.880 1.259 3.849 1.00 0.00 O ATOM 557 CB ALA A 38 -16.280 3.083 5.488 1.00 0.00 C ATOM 0 H ALA A 38 -15.562 1.780 7.534 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.195 1.093 4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.267 3.526 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.311 2.983 5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.732 3.724 6.178 1.00 0.00 H new ATOM 563 N ALA A 39 -13.328 2.378 5.735 1.00 0.00 N ATOM 564 CA ALA A 39 -11.925 2.509 5.379 1.00 0.00 C ATOM 565 C ALA A 39 -11.207 1.187 5.659 1.00 0.00 C ATOM 566 O ALA A 39 -10.318 1.127 6.508 1.00 0.00 O ATOM 567 CB ALA A 39 -11.310 3.681 6.146 1.00 0.00 C ATOM 0 H ALA A 39 -13.581 2.793 6.632 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.817 2.724 4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.258 3.779 5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.837 4.600 5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.397 3.500 7.217 1.00 0.00 H new ATOM 573 N ALA A 40 -11.619 0.161 4.930 1.00 0.00 N ATOM 574 CA ALA A 40 -11.026 -1.156 5.090 1.00 0.00 C ATOM 575 C ALA A 40 -9.763 -1.250 4.231 1.00 0.00 C ATOM 576 O ALA A 40 -8.662 -1.407 4.756 1.00 0.00 O ATOM 577 CB ALA A 40 -12.057 -2.228 4.729 1.00 0.00 C ATOM 0 H ALA A 40 -12.356 0.215 4.227 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.733 -1.321 6.127 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.612 -3.216 4.849 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.922 -2.137 5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.372 -2.096 3.694 1.00 0.00 H new ATOM 583 N ALA A 41 -9.965 -1.149 2.926 1.00 0.00 N ATOM 584 CA ALA A 41 -8.856 -1.221 1.990 1.00 0.00 C ATOM 585 C ALA A 41 -8.332 -2.657 1.934 1.00 0.00 C ATOM 586 O ALA A 41 -7.133 -2.890 2.074 1.00 0.00 O ATOM 587 CB ALA A 41 -7.774 -0.221 2.402 1.00 0.00 C ATOM 0 H ALA A 41 -10.880 -1.018 2.494 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.184 -0.951 0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.942 -0.275 1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.189 0.787 2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.419 -0.461 3.404 1.00 0.00 H new ATOM 593 N ALA A 42 -9.258 -3.583 1.731 1.00 0.00 N ATOM 594 CA ALA A 42 -8.905 -4.990 1.655 1.00 0.00 C ATOM 595 C ALA A 42 -9.088 -5.482 0.218 1.00 0.00 C ATOM 596 O ALA A 42 -8.119 -5.603 -0.529 1.00 0.00 O ATOM 597 CB ALA A 42 -9.749 -5.783 2.655 1.00 0.00 C ATOM 0 H ALA A 42 -10.252 -3.386 1.617 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.859 -5.137 1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.484 -6.839 2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.559 -5.415 3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.806 -5.661 2.417 1.00 0.00 H new ATOM 603 N ALA A 43 -10.339 -5.752 -0.126 1.00 0.00 N ATOM 604 CA ALA A 43 -10.662 -6.227 -1.460 1.00 0.00 C ATOM 605 C ALA A 43 -10.005 -5.313 -2.496 1.00 0.00 C ATOM 606 O ALA A 43 -9.781 -5.720 -3.635 1.00 0.00 O ATOM 607 CB ALA A 43 -12.182 -6.295 -1.624 1.00 0.00 C ATOM 0 H ALA A 43 -11.141 -5.651 0.496 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.272 -7.233 -1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.424 -6.651 -2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.597 -6.980 -0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.608 -5.302 -1.479 1.00 0.00 H new ATOM 613 N VAL A 44 -9.714 -4.095 -2.063 1.00 0.00 N ATOM 614 CA VAL A 44 -9.087 -3.120 -2.939 1.00 0.00 C ATOM 615 C VAL A 44 -7.568 -3.194 -2.772 1.00 0.00 C ATOM 616 O VAL A 44 -6.822 -2.937 -3.716 1.00 0.00 O ATOM 617 CB VAL A 44 -9.652 -1.726 -2.659 1.00 0.00 C ATOM 618 CG1 VAL A 44 -8.536 -0.679 -2.622 1.00 0.00 C ATOM 619 CG2 VAL A 44 -10.721 -1.351 -3.688 1.00 0.00 C ATOM 0 H VAL A 44 -9.901 -3.761 -1.117 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.311 -3.343 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.124 -1.747 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.965 0.303 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.825 -0.932 -1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.022 -0.661 -3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -11.106 -0.356 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.283 -1.356 -4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.536 -2.073 -3.646 1.00 0.00 H new ATOM 629 N ALA A 45 -7.154 -3.546 -1.563 1.00 0.00 N ATOM 630 CA ALA A 45 -5.737 -3.657 -1.260 1.00 0.00 C ATOM 631 C ALA A 45 -5.040 -4.435 -2.378 1.00 0.00 C ATOM 632 O ALA A 45 -4.135 -3.916 -3.029 1.00 0.00 O ATOM 633 CB ALA A 45 -5.558 -4.316 0.109 1.00 0.00 C ATOM 0 H ALA A 45 -7.775 -3.758 -0.782 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.277 -2.670 -1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.495 -4.399 0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.046 -3.709 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.005 -5.310 0.096 1.00 0.00 H new ATOM 639 N ALA A 46 -5.489 -5.667 -2.567 1.00 0.00 N ATOM 640 CA ALA A 46 -4.920 -6.522 -3.594 1.00 0.00 C ATOM 641 C ALA A 46 -5.083 -5.849 -4.959 1.00 0.00 C ATOM 642 O ALA A 46 -4.143 -5.808 -5.751 1.00 0.00 O ATOM 643 CB ALA A 46 -5.585 -7.899 -3.540 1.00 0.00 C ATOM 0 H ALA A 46 -6.241 -6.094 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.854 -6.669 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.157 -8.540 -4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.416 -8.347 -2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.656 -7.793 -3.710 1.00 0.00 H new ATOM 649 N ALA A 47 -6.283 -5.339 -5.192 1.00 0.00 N ATOM 650 CA ALA A 47 -6.582 -4.670 -6.447 1.00 0.00 C ATOM 651 C ALA A 47 -5.637 -3.480 -6.622 1.00 0.00 C ATOM 652 O ALA A 47 -4.647 -3.357 -5.903 1.00 0.00 O ATOM 653 CB ALA A 47 -8.054 -4.254 -6.467 1.00 0.00 C ATOM 0 H ALA A 47 -7.060 -5.375 -4.533 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.423 -5.344 -7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.278 -3.752 -7.408 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.683 -5.138 -6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.251 -3.574 -5.638 1.00 0.00 H new ATOM 659 N THR A 48 -5.976 -2.633 -7.583 1.00 0.00 N ATOM 660 CA THR A 48 -5.170 -1.457 -7.863 1.00 0.00 C ATOM 661 C THR A 48 -5.557 -0.854 -9.214 1.00 0.00 C ATOM 662 O THR A 48 -5.857 -1.581 -10.160 1.00 0.00 O ATOM 663 CB THR A 48 -3.697 -1.861 -7.777 1.00 0.00 C ATOM 664 OG1 THR A 48 -3.300 -1.453 -6.471 1.00 0.00 O ATOM 665 CG2 THR A 48 -2.808 -1.037 -8.711 1.00 0.00 C ATOM 0 H THR A 48 -6.798 -2.738 -8.178 1.00 0.00 H new ATOM 0 HA THR A 48 -5.349 -0.671 -7.129 1.00 0.00 H new ATOM 0 HB THR A 48 -3.597 -2.919 -8.020 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.469 -2.180 -5.836 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.773 -1.364 -8.611 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.135 -1.177 -9.741 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.882 0.018 -8.447 1.00 0.00 H new ATOM 673 N ALA A 49 -5.537 0.470 -9.263 1.00 0.00 N ATOM 674 CA ALA A 49 -5.883 1.179 -10.484 1.00 0.00 C ATOM 675 C ALA A 49 -5.220 0.486 -11.676 1.00 0.00 C ATOM 676 O ALA A 49 -4.024 0.656 -11.911 1.00 0.00 O ATOM 677 CB ALA A 49 -5.467 2.646 -10.357 1.00 0.00 C ATOM 0 H ALA A 49 -5.287 1.070 -8.477 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.960 1.158 -10.648 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.726 3.178 -11.272 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.987 3.100 -9.514 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.391 2.706 -10.195 1.00 0.00 H new ATOM 683 N ALA A 50 -6.025 -0.279 -12.397 1.00 0.00 N ATOM 684 CA ALA A 50 -5.532 -0.999 -13.559 1.00 0.00 C ATOM 685 C ALA A 50 -5.565 -0.074 -14.778 1.00 0.00 C ATOM 686 O ALA A 50 -6.083 -0.446 -15.829 1.00 0.00 O ATOM 687 CB ALA A 50 -6.363 -2.266 -13.766 1.00 0.00 C ATOM 0 H ALA A 50 -7.016 -0.416 -12.199 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.498 -1.309 -13.408 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.993 -2.806 -14.638 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.283 -2.902 -12.884 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.407 -1.995 -13.924 1.00 0.00 H new ATOM 693 N VAL A 51 -5.005 1.113 -14.595 1.00 0.00 N ATOM 694 CA VAL A 51 -4.964 2.094 -15.667 1.00 0.00 C ATOM 695 C VAL A 51 -3.525 2.578 -15.854 1.00 0.00 C ATOM 696 O VAL A 51 -3.266 3.780 -15.855 1.00 0.00 O ATOM 697 CB VAL A 51 -5.944 3.231 -15.373 1.00 0.00 C ATOM 698 CG1 VAL A 51 -5.351 4.219 -14.367 1.00 0.00 C ATOM 699 CG2 VAL A 51 -6.359 3.944 -16.662 1.00 0.00 C ATOM 0 H VAL A 51 -4.576 1.418 -13.721 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.281 1.645 -16.608 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.839 2.796 -14.928 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.068 5.017 -14.175 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.129 3.700 -13.435 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.433 4.645 -14.773 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.056 4.748 -16.425 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.477 4.360 -17.148 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.841 3.232 -17.333 1.00 0.00 H new ATOM 709 N GLU A 52 -2.626 1.617 -16.009 1.00 0.00 N ATOM 710 CA GLU A 52 -1.220 1.930 -16.198 1.00 0.00 C ATOM 711 C GLU A 52 -0.802 1.651 -17.643 1.00 0.00 C ATOM 712 O GLU A 52 -1.306 0.720 -18.269 1.00 0.00 O ATOM 713 CB GLU A 52 -0.347 1.147 -15.214 1.00 0.00 C ATOM 714 CG GLU A 52 1.075 1.711 -15.174 1.00 0.00 C ATOM 715 CD GLU A 52 1.266 2.631 -13.967 1.00 0.00 C ATOM 716 OE1 GLU A 52 1.008 3.840 -14.062 1.00 0.00 O ATOM 717 OE2 GLU A 52 1.698 2.049 -12.900 1.00 0.00 O ATOM 0 H GLU A 52 -2.844 0.621 -16.008 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.075 2.992 -15.998 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.787 1.190 -14.218 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.318 0.097 -15.504 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.794 0.893 -15.129 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.277 2.263 -16.092 1.00 0.00 H new ATOM 725 N GLY A 53 0.114 2.475 -18.130 1.00 0.00 N ATOM 726 CA GLY A 53 0.604 2.329 -19.490 1.00 0.00 C ATOM 727 C GLY A 53 2.129 2.445 -19.538 1.00 0.00 C ATOM 728 O GLY A 53 2.838 1.478 -19.264 1.00 0.00 O ATOM 0 H GLY A 53 0.530 3.246 -17.607 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.296 1.363 -19.890 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.157 3.094 -20.126 1.00 0.00 H new ATOM 732 N THR A 54 2.589 3.637 -19.889 1.00 0.00 N ATOM 733 CA THR A 54 4.017 3.892 -19.976 1.00 0.00 C ATOM 734 C THR A 54 4.278 5.378 -20.231 1.00 0.00 C ATOM 735 O THR A 54 3.357 6.129 -20.546 1.00 0.00 O ATOM 736 CB THR A 54 4.595 2.979 -21.059 1.00 0.00 C ATOM 737 OG1 THR A 54 6.003 3.180 -20.968 1.00 0.00 O ATOM 738 CG2 THR A 54 4.242 3.449 -22.471 1.00 0.00 C ATOM 0 H THR A 54 1.998 4.437 -20.116 1.00 0.00 H new ATOM 0 HA THR A 54 4.518 3.662 -19.036 1.00 0.00 H new ATOM 0 HB THR A 54 4.227 1.964 -20.912 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.457 2.624 -21.635 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.677 2.766 -23.201 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.159 3.465 -22.589 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.639 4.451 -22.631 1.00 0.00 H new ATOM 746 N GLY A 55 5.539 5.757 -20.084 1.00 0.00 N ATOM 747 CA GLY A 55 5.934 7.140 -20.295 1.00 0.00 C ATOM 748 C GLY A 55 5.674 7.570 -21.740 1.00 0.00 C ATOM 749 O GLY A 55 4.550 7.472 -22.229 1.00 0.00 O ATOM 0 H GLY A 55 6.300 5.131 -19.821 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.382 7.788 -19.614 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.992 7.260 -20.061 1.00 0.00 H new ATOM 753 N GLY A 56 6.734 8.038 -22.384 1.00 0.00 N ATOM 754 CA GLY A 56 6.635 8.484 -23.763 1.00 0.00 C ATOM 755 C GLY A 56 6.963 7.346 -24.732 1.00 0.00 C ATOM 756 O GLY A 56 8.103 6.891 -24.797 1.00 0.00 O ATOM 0 H GLY A 56 7.665 8.118 -21.976 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.628 8.854 -23.958 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.318 9.317 -23.930 1.00 0.00 H new ATOM 760 N SER A 57 5.941 6.919 -25.460 1.00 0.00 N ATOM 761 CA SER A 57 6.106 5.843 -26.423 1.00 0.00 C ATOM 762 C SER A 57 5.350 6.172 -27.711 1.00 0.00 C ATOM 763 O SER A 57 4.170 6.518 -27.672 1.00 0.00 O ATOM 764 CB SER A 57 5.621 4.511 -25.848 1.00 0.00 C ATOM 765 OG SER A 57 6.621 3.874 -25.058 1.00 0.00 O ATOM 0 H SER A 57 4.996 7.299 -25.402 1.00 0.00 H new ATOM 0 HA SER A 57 7.168 5.746 -26.648 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.733 4.681 -25.240 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.328 3.850 -26.663 1.00 0.00 H new ATOM 0 HG SER A 57 6.272 3.028 -24.708 1.00 0.00 H new ATOM 771 N GLY A 58 6.061 6.053 -28.823 1.00 0.00 N ATOM 772 CA GLY A 58 5.471 6.335 -30.121 1.00 0.00 C ATOM 773 C GLY A 58 6.479 6.090 -31.246 1.00 0.00 C ATOM 774 O GLY A 58 7.684 6.037 -31.003 1.00 0.00 O ATOM 0 H GLY A 58 7.039 5.765 -28.852 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.594 5.705 -30.270 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.130 7.370 -30.152 1.00 0.00 H new ATOM 778 N GLY A 59 5.950 5.948 -32.452 1.00 0.00 N ATOM 779 CA GLY A 59 6.788 5.711 -33.614 1.00 0.00 C ATOM 780 C GLY A 59 6.009 5.947 -34.910 1.00 0.00 C ATOM 781 O GLY A 59 5.303 6.946 -35.041 1.00 0.00 O ATOM 0 H GLY A 59 4.950 5.993 -32.649 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.655 6.370 -33.582 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.164 4.688 -33.593 1.00 0.00 H new ATOM 785 N GLY A 60 6.164 5.011 -35.835 1.00 0.00 N ATOM 786 CA GLY A 60 5.484 5.104 -37.115 1.00 0.00 C ATOM 787 C GLY A 60 6.446 4.816 -38.270 1.00 0.00 C ATOM 788 O GLY A 60 7.659 4.760 -38.072 1.00 0.00 O ATOM 0 H GLY A 60 6.751 4.184 -35.723 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.655 4.397 -37.143 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.057 6.100 -37.232 1.00 0.00 H new ATOM 792 N PRO A 61 5.854 4.637 -39.481 1.00 0.00 N ATOM 793 CA PRO A 61 6.645 4.356 -40.667 1.00 0.00 C ATOM 794 C PRO A 61 7.356 5.617 -41.162 1.00 0.00 C ATOM 795 O PRO A 61 6.713 6.628 -41.440 1.00 0.00 O ATOM 796 CB PRO A 61 5.656 3.796 -41.676 1.00 0.00 C ATOM 797 CG PRO A 61 4.279 4.216 -41.187 1.00 0.00 C ATOM 798 CD PRO A 61 4.420 4.697 -39.752 1.00 0.00 C ATOM 0 HA PRO A 61 7.448 3.643 -40.479 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.852 4.188 -42.674 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.734 2.711 -41.738 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.876 5.009 -41.817 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.583 3.379 -41.242 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.037 5.711 -39.634 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.860 4.063 -39.065 1.00 0.00 H new ATOM 806 N HIS A 62 8.673 5.516 -41.259 1.00 0.00 N ATOM 807 CA HIS A 62 9.479 6.635 -41.716 1.00 0.00 C ATOM 808 C HIS A 62 10.607 6.123 -42.613 1.00 0.00 C ATOM 809 O HIS A 62 10.830 4.917 -42.709 1.00 0.00 O ATOM 810 CB HIS A 62 9.989 7.457 -40.531 1.00 0.00 C ATOM 811 CG HIS A 62 11.379 7.079 -40.075 1.00 0.00 C ATOM 812 ND1 HIS A 62 11.620 6.051 -39.181 1.00 0.00 N ATOM 813 CD2 HIS A 62 12.596 7.602 -40.399 1.00 0.00 C ATOM 814 CE1 HIS A 62 12.928 5.968 -38.982 1.00 0.00 C ATOM 815 NE2 HIS A 62 13.531 6.930 -39.738 1.00 0.00 N ATOM 0 H HIS A 62 9.203 4.675 -41.029 1.00 0.00 H new ATOM 0 HA HIS A 62 8.866 7.310 -42.313 1.00 0.00 H new ATOM 0 HB2 HIS A 62 9.981 8.512 -40.804 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.299 7.339 -39.696 1.00 0.00 H new ATOM 0 HD2 HIS A 62 12.770 8.424 -41.078 1.00 0.00 H new ATOM 0 HE1 HIS A 62 13.428 5.263 -38.335 1.00 0.00 H new ATOM 0 HE2 HIS A 62 14.535 7.104 -39.787 1.00 0.00 H new ATOM 823 N HIS A 63 11.290 7.065 -43.247 1.00 0.00 N ATOM 824 CA HIS A 63 12.390 6.724 -44.133 1.00 0.00 C ATOM 825 C HIS A 63 11.937 5.651 -45.125 1.00 0.00 C ATOM 826 O HIS A 63 11.936 4.464 -44.803 1.00 0.00 O ATOM 827 CB HIS A 63 13.624 6.307 -43.331 1.00 0.00 C ATOM 828 CG HIS A 63 14.544 5.362 -44.066 1.00 0.00 C ATOM 829 ND1 HIS A 63 14.834 5.495 -45.413 1.00 0.00 N ATOM 830 CD2 HIS A 63 15.237 4.272 -43.629 1.00 0.00 C ATOM 831 CE1 HIS A 63 15.664 4.522 -45.761 1.00 0.00 C ATOM 832 NE2 HIS A 63 15.911 3.765 -44.654 1.00 0.00 N ATOM 0 H HIS A 63 11.103 8.064 -43.165 1.00 0.00 H new ATOM 0 HA HIS A 63 12.683 7.602 -44.710 1.00 0.00 H new ATOM 0 HB2 HIS A 63 14.184 7.200 -43.054 1.00 0.00 H new ATOM 0 HB3 HIS A 63 13.299 5.834 -42.404 1.00 0.00 H new ATOM 0 HD2 HIS A 63 15.237 3.887 -42.620 1.00 0.00 H new ATOM 0 HE1 HIS A 63 16.073 4.358 -46.747 1.00 0.00 H new ATOM 0 HE2 HIS A 63 16.515 2.944 -44.619 1.00 0.00 H new ATOM 840 N HIS A 64 11.562 6.107 -46.311 1.00 0.00 N ATOM 841 CA HIS A 64 11.108 5.201 -47.352 1.00 0.00 C ATOM 842 C HIS A 64 12.071 5.260 -48.539 1.00 0.00 C ATOM 843 O HIS A 64 11.883 6.057 -49.457 1.00 0.00 O ATOM 844 CB HIS A 64 9.662 5.508 -47.746 1.00 0.00 C ATOM 845 CG HIS A 64 8.631 4.809 -46.892 1.00 0.00 C ATOM 846 ND1 HIS A 64 7.352 4.528 -47.339 1.00 0.00 N ATOM 847 CD2 HIS A 64 8.705 4.336 -45.614 1.00 0.00 C ATOM 848 CE1 HIS A 64 6.694 3.915 -46.367 1.00 0.00 C ATOM 849 NE2 HIS A 64 7.533 3.797 -45.298 1.00 0.00 N ATOM 0 H HIS A 64 11.563 7.092 -46.574 1.00 0.00 H new ATOM 0 HA HIS A 64 11.112 4.178 -46.976 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.500 6.584 -47.685 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.511 5.222 -48.787 1.00 0.00 H new ATOM 0 HD2 HIS A 64 9.570 4.391 -44.969 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.672 3.569 -46.413 1.00 0.00 H new ATOM 0 HE2 HIS A 64 7.299 3.366 -44.404 1.00 0.00 H new ATOM 857 N HIS A 65 13.081 4.404 -48.483 1.00 0.00 N ATOM 858 CA HIS A 65 14.074 4.348 -49.543 1.00 0.00 C ATOM 859 C HIS A 65 13.390 4.543 -50.898 1.00 0.00 C ATOM 860 O HIS A 65 12.497 3.780 -51.261 1.00 0.00 O ATOM 861 CB HIS A 65 14.879 3.049 -49.466 1.00 0.00 C ATOM 862 CG HIS A 65 14.149 1.843 -50.006 1.00 0.00 C ATOM 863 ND1 HIS A 65 14.713 0.975 -50.925 1.00 0.00 N ATOM 864 CD2 HIS A 65 12.897 1.368 -49.746 1.00 0.00 C ATOM 865 CE1 HIS A 65 13.832 0.025 -51.200 1.00 0.00 C ATOM 866 NE2 HIS A 65 12.706 0.271 -50.469 1.00 0.00 N ATOM 0 H HIS A 65 13.233 3.744 -47.721 1.00 0.00 H new ATOM 0 HA HIS A 65 14.791 5.159 -49.417 1.00 0.00 H new ATOM 0 HB2 HIS A 65 15.809 3.176 -50.020 1.00 0.00 H new ATOM 0 HB3 HIS A 65 15.150 2.862 -48.427 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.182 1.809 -49.067 1.00 0.00 H new ATOM 0 HE1 HIS A 65 13.979 -0.799 -51.882 1.00 0.00 H new ATOM 0 HE2 HIS A 65 11.857 -0.295 -50.477 1.00 0.00 H new ATOM 874 N GLN A 66 13.836 5.569 -51.608 1.00 0.00 N ATOM 875 CA GLN A 66 13.279 5.873 -52.915 1.00 0.00 C ATOM 876 C GLN A 66 13.352 4.644 -53.823 1.00 0.00 C ATOM 877 O GLN A 66 13.828 3.588 -53.407 1.00 0.00 O ATOM 878 CB GLN A 66 13.992 7.067 -53.551 1.00 0.00 C ATOM 879 CG GLN A 66 13.048 7.844 -54.470 1.00 0.00 C ATOM 880 CD GLN A 66 12.989 9.321 -54.074 1.00 0.00 C ATOM 881 OE1 GLN A 66 13.951 10.062 -54.197 1.00 0.00 O ATOM 882 NE2 GLN A 66 11.810 9.706 -53.594 1.00 0.00 N ATOM 0 H GLN A 66 14.577 6.200 -51.303 1.00 0.00 H new ATOM 0 HA GLN A 66 12.231 6.144 -52.787 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.370 7.727 -52.770 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.854 6.719 -54.120 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.385 7.754 -55.503 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.049 7.411 -54.421 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.046 9.034 -53.518 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.669 10.673 -53.302 1.00 0.00 H new ATOM 891 N THR A 67 12.874 4.821 -55.045 1.00 0.00 N ATOM 892 CA THR A 67 12.879 3.739 -56.016 1.00 0.00 C ATOM 893 C THR A 67 14.315 3.359 -56.382 1.00 0.00 C ATOM 894 O THR A 67 15.097 4.207 -56.808 1.00 0.00 O ATOM 895 CB THR A 67 12.041 4.178 -57.218 1.00 0.00 C ATOM 896 OG1 THR A 67 12.210 5.593 -57.261 1.00 0.00 O ATOM 897 CG2 THR A 67 10.541 3.989 -56.987 1.00 0.00 C ATOM 0 H THR A 67 12.480 5.698 -55.386 1.00 0.00 H new ATOM 0 HA THR A 67 12.432 2.835 -55.603 1.00 0.00 H new ATOM 0 HB THR A 67 12.346 3.613 -58.099 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.701 5.961 -58.013 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.993 4.316 -57.871 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.332 2.936 -56.799 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.228 4.580 -56.126 1.00 0.00 H new ATOM 905 N ARG A 68 14.619 2.082 -56.202 1.00 0.00 N ATOM 906 CA ARG A 68 15.947 1.578 -56.508 1.00 0.00 C ATOM 907 C ARG A 68 16.312 1.894 -57.960 1.00 0.00 C ATOM 908 O ARG A 68 15.433 2.053 -58.805 1.00 0.00 O ATOM 909 CB ARG A 68 16.027 0.066 -56.287 1.00 0.00 C ATOM 910 CG ARG A 68 15.091 -0.678 -57.240 1.00 0.00 C ATOM 911 CD ARG A 68 15.840 -1.151 -58.487 1.00 0.00 C ATOM 912 NE ARG A 68 14.890 -1.746 -59.454 1.00 0.00 N ATOM 913 CZ ARG A 68 14.424 -3.011 -59.376 1.00 0.00 C ATOM 914 NH1 ARG A 68 14.818 -3.825 -58.374 1.00 0.00 N ATOM 915 NH2 ARG A 68 13.578 -3.438 -60.295 1.00 0.00 N ATOM 0 H ARG A 68 13.968 1.381 -55.848 1.00 0.00 H new ATOM 0 HA ARG A 68 16.651 2.069 -55.837 1.00 0.00 H new ATOM 0 HB2 ARG A 68 17.052 -0.274 -56.439 1.00 0.00 H new ATOM 0 HB3 ARG A 68 15.763 -0.169 -55.256 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.652 -1.535 -56.729 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.269 -0.025 -57.531 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.362 -0.312 -58.947 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.597 -1.885 -58.210 1.00 0.00 H new ATOM 0 HE ARG A 68 14.567 -1.164 -60.227 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.472 -3.486 -57.669 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.461 -4.779 -58.322 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.286 -2.815 -61.048 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.216 -4.391 -60.252 1.00 0.00 H new ATOM 928 N GLY A 69 17.612 1.974 -58.205 1.00 0.00 N ATOM 929 CA GLY A 69 18.105 2.268 -59.540 1.00 0.00 C ATOM 930 C GLY A 69 19.250 3.282 -59.491 1.00 0.00 C ATOM 931 O GLY A 69 19.014 4.490 -59.478 1.00 0.00 O ATOM 0 H GLY A 69 18.339 1.840 -57.502 1.00 0.00 H new ATOM 0 HA2 GLY A 69 18.448 1.349 -60.015 1.00 0.00 H new ATOM 0 HA3 GLY A 69 17.293 2.660 -60.153 1.00 0.00 H new ATOM 935 N ALA A 70 20.465 2.755 -59.465 1.00 0.00 N ATOM 936 CA ALA A 70 21.646 3.599 -59.418 1.00 0.00 C ATOM 937 C ALA A 70 22.694 3.058 -60.393 1.00 0.00 C ATOM 938 O ALA A 70 23.674 2.441 -59.977 1.00 0.00 O ATOM 939 CB ALA A 70 22.168 3.667 -57.981 1.00 0.00 C ATOM 0 H ALA A 70 20.657 1.753 -59.476 1.00 0.00 H new ATOM 0 HA ALA A 70 21.403 4.616 -59.726 1.00 0.00 H new ATOM 0 HB1 ALA A 70 23.054 4.300 -57.945 1.00 0.00 H new ATOM 0 HB2 ALA A 70 21.397 4.085 -57.333 1.00 0.00 H new ATOM 0 HB3 ALA A 70 22.425 2.664 -57.639 1.00 0.00 H new ATOM 945 N TYR A 71 22.451 3.308 -61.671 1.00 0.00 N ATOM 946 CA TYR A 71 23.361 2.853 -62.709 1.00 0.00 C ATOM 947 C TYR A 71 23.041 3.519 -64.049 1.00 0.00 C ATOM 948 O TYR A 71 21.895 3.882 -64.307 1.00 0.00 O ATOM 949 CB TYR A 71 23.136 1.345 -62.836 1.00 0.00 C ATOM 950 CG TYR A 71 24.237 0.615 -63.607 1.00 0.00 C ATOM 951 CD1 TYR A 71 25.555 0.743 -63.217 1.00 0.00 C ATOM 952 CD2 TYR A 71 23.913 -0.173 -64.693 1.00 0.00 C ATOM 953 CE1 TYR A 71 26.591 0.056 -63.944 1.00 0.00 C ATOM 954 CE2 TYR A 71 24.949 -0.860 -65.419 1.00 0.00 C ATOM 955 CZ TYR A 71 26.237 -0.712 -65.009 1.00 0.00 C ATOM 956 OH TYR A 71 27.215 -1.361 -65.695 1.00 0.00 O ATOM 0 H TYR A 71 21.637 3.820 -62.012 1.00 0.00 H new ATOM 0 HA TYR A 71 24.391 3.102 -62.453 1.00 0.00 H new ATOM 0 HB2 TYR A 71 23.059 0.914 -61.838 1.00 0.00 H new ATOM 0 HB3 TYR A 71 22.182 1.171 -63.333 1.00 0.00 H new ATOM 0 HD1 TYR A 71 25.809 1.358 -62.367 1.00 0.00 H new ATOM 0 HD2 TYR A 71 22.882 -0.274 -64.998 1.00 0.00 H new ATOM 0 HE1 TYR A 71 27.626 0.149 -63.650 1.00 0.00 H new ATOM 0 HE2 TYR A 71 24.709 -1.479 -66.271 1.00 0.00 H new ATOM 0 HH TYR A 71 26.815 -1.872 -66.429 1.00 0.00 H new ATOM 966 N SER A 72 24.075 3.659 -64.865 1.00 0.00 N ATOM 967 CA SER A 72 23.919 4.275 -66.172 1.00 0.00 C ATOM 968 C SER A 72 25.178 4.047 -67.011 1.00 0.00 C ATOM 969 O SER A 72 26.293 4.137 -66.501 1.00 0.00 O ATOM 970 CB SER A 72 23.630 5.772 -66.044 1.00 0.00 C ATOM 971 OG SER A 72 24.654 6.454 -65.324 1.00 0.00 O ATOM 0 H SER A 72 25.024 3.356 -64.647 1.00 0.00 H new ATOM 0 HA SER A 72 23.069 3.810 -66.671 1.00 0.00 H new ATOM 0 HB2 SER A 72 23.533 6.209 -67.038 1.00 0.00 H new ATOM 0 HB3 SER A 72 22.675 5.915 -65.539 1.00 0.00 H new ATOM 0 HG SER A 72 24.433 7.407 -65.265 1.00 0.00 H new ATOM 977 N SER A 73 24.956 3.756 -68.285 1.00 0.00 N ATOM 978 CA SER A 73 26.058 3.514 -69.200 1.00 0.00 C ATOM 979 C SER A 73 25.528 3.349 -70.626 1.00 0.00 C ATOM 980 O SER A 73 24.497 2.713 -70.839 1.00 0.00 O ATOM 981 CB SER A 73 26.858 2.278 -68.785 1.00 0.00 C ATOM 982 OG SER A 73 26.068 1.092 -68.828 1.00 0.00 O ATOM 0 H SER A 73 24.029 3.683 -68.705 1.00 0.00 H new ATOM 0 HA SER A 73 26.726 4.374 -69.165 1.00 0.00 H new ATOM 0 HB2 SER A 73 27.718 2.165 -69.444 1.00 0.00 H new ATOM 0 HB3 SER A 73 27.246 2.419 -67.776 1.00 0.00 H new ATOM 0 HG SER A 73 26.615 0.325 -68.558 1.00 0.00 H new ATOM 988 N HIS A 74 26.256 3.934 -71.565 1.00 0.00 N ATOM 989 CA HIS A 74 25.872 3.860 -72.965 1.00 0.00 C ATOM 990 C HIS A 74 27.117 3.988 -73.846 1.00 0.00 C ATOM 991 O HIS A 74 27.519 5.095 -74.200 1.00 0.00 O ATOM 992 CB HIS A 74 24.805 4.906 -73.291 1.00 0.00 C ATOM 993 CG HIS A 74 23.435 4.325 -73.552 1.00 0.00 C ATOM 994 ND1 HIS A 74 23.234 3.205 -74.340 1.00 0.00 N ATOM 995 CD2 HIS A 74 22.203 4.719 -73.122 1.00 0.00 C ATOM 996 CE1 HIS A 74 21.935 2.947 -74.376 1.00 0.00 C ATOM 997 NE2 HIS A 74 21.298 3.887 -73.621 1.00 0.00 N ATOM 0 H HIS A 74 27.110 4.462 -71.384 1.00 0.00 H new ATOM 0 HA HIS A 74 25.421 2.889 -73.172 1.00 0.00 H new ATOM 0 HB2 HIS A 74 24.737 5.612 -72.463 1.00 0.00 H new ATOM 0 HB3 HIS A 74 25.121 5.472 -74.167 1.00 0.00 H new ATOM 0 HD2 HIS A 74 21.998 5.565 -72.483 1.00 0.00 H new ATOM 0 HE1 HIS A 74 21.463 2.135 -74.910 1.00 0.00 H new ATOM 0 HE2 HIS A 74 20.291 3.942 -73.465 1.00 0.00 H new ATOM 1005 N ASP A 75 27.691 2.840 -74.174 1.00 0.00 N ATOM 1006 CA ASP A 75 28.881 2.810 -75.007 1.00 0.00 C ATOM 1007 C ASP A 75 28.512 3.227 -76.432 1.00 0.00 C ATOM 1008 O ASP A 75 27.670 4.102 -76.628 1.00 0.00 O ATOM 1009 CB ASP A 75 29.476 1.402 -75.066 1.00 0.00 C ATOM 1010 CG ASP A 75 30.148 0.929 -73.775 1.00 0.00 C ATOM 1011 OD1 ASP A 75 29.555 0.988 -72.688 1.00 0.00 O ATOM 1012 OD2 ASP A 75 31.348 0.479 -73.918 1.00 0.00 O ATOM 0 H ASP A 75 27.354 1.924 -73.878 1.00 0.00 H new ATOM 0 HA ASP A 75 29.612 3.493 -74.575 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.683 0.699 -75.324 1.00 0.00 H new ATOM 0 HB3 ASP A 75 30.208 1.367 -75.873 1.00 0.00 H new TER 1018 ASP A 75