USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 757 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 -160:sc= -0.101 (180deg=-0.606) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 5 SER OG : rot 180:sc= 0.00398 USER MOD Single : A 6 MET CE :methyl -159:sc= -0.19 (180deg=-0.812) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 135:sc= 1.04 USER MOD Single : A 22 GLN : amide:sc= -0.0633 K(o=-0.063,f=-1.3) USER MOD Single : A 23 ASN :FLIP amide:sc=-1.61e-06 F(o=-1.1,f=-1.6e-06) USER MOD Single : A 30 ASN : amide:sc= 0.52 K(o=0.52,f=-0.0032) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0.982 K(o=0.98,f=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.395 X(o=-0.39,f=0.092) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot 71:sc= 1.21 USER MOD Single : A 61 SER OG : rot 43:sc= 0.18 USER MOD Single : A 63 MET CE :methyl -141:sc= -0.173 (180deg=-0.703) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 0:sc= 0.26 USER MOD Single : A 81 GLN : amide:sc= 1.19 K(o=1.2,f=-0.92) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 84 CYS SG : rot 23:sc= -0.394 USER MOD Single : A 86 MET CE :methyl -151:sc= -0.258 (180deg=-0.441) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 95 THR OG1 : rot 36:sc= 0.37 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.136 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.197 24.606 6.264 1.00 0.00 N ATOM 2 CA MET A 1 -6.413 23.824 6.578 1.00 0.00 C ATOM 3 C MET A 1 -7.262 24.568 7.601 1.00 0.00 C ATOM 4 O MET A 1 -6.973 24.552 8.799 1.00 0.00 O ATOM 5 CB MET A 1 -6.031 22.441 7.110 1.00 0.00 C ATOM 6 CG MET A 1 -7.224 21.549 7.414 1.00 0.00 C ATOM 7 SD MET A 1 -6.739 19.924 8.028 1.00 0.00 S ATOM 8 CE MET A 1 -5.875 19.265 6.603 1.00 0.00 C ATOM 0 H1 MET A 1 -4.624 24.091 5.565 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.470 25.531 5.874 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.641 24.747 7.132 1.00 0.00 H new ATOM 0 HA MET A 1 -6.995 23.696 5.665 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.395 21.944 6.378 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.439 22.562 8.017 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.859 22.038 8.153 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.822 21.428 6.511 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.827 18.179 6.677 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.408 19.543 5.694 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.864 19.672 6.570 1.00 0.00 H new ATOM 20 N GLU A 2 -8.295 25.237 7.112 1.00 0.00 N ATOM 21 CA GLU A 2 -9.169 26.037 7.958 1.00 0.00 C ATOM 22 C GLU A 2 -9.899 25.168 8.977 1.00 0.00 C ATOM 23 O GLU A 2 -9.825 25.411 10.183 1.00 0.00 O ATOM 24 CB GLU A 2 -10.176 26.795 7.094 1.00 0.00 C ATOM 25 CG GLU A 2 -11.186 27.593 7.894 1.00 0.00 C ATOM 26 CD GLU A 2 -12.161 28.340 7.016 1.00 0.00 C ATOM 27 OE1 GLU A 2 -13.072 27.701 6.454 1.00 0.00 O ATOM 28 OE2 GLU A 2 -12.027 29.574 6.898 1.00 0.00 O ATOM 0 H GLU A 2 -8.550 25.241 6.125 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.554 26.751 8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.636 27.470 6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -10.707 26.084 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.736 26.920 8.552 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.660 28.303 8.532 1.00 0.00 H new ATOM 35 N VAL A 3 -10.599 24.158 8.486 1.00 0.00 N ATOM 36 CA VAL A 3 -11.355 23.259 9.342 1.00 0.00 C ATOM 37 C VAL A 3 -10.973 21.815 9.054 1.00 0.00 C ATOM 38 O VAL A 3 -10.444 21.509 7.986 1.00 0.00 O ATOM 39 CB VAL A 3 -12.880 23.439 9.154 1.00 0.00 C ATOM 40 CG1 VAL A 3 -13.314 24.828 9.594 1.00 0.00 C ATOM 41 CG2 VAL A 3 -13.284 23.186 7.707 1.00 0.00 C ATOM 0 H VAL A 3 -10.659 23.940 7.491 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.109 23.505 10.375 1.00 0.00 H new ATOM 0 HB VAL A 3 -13.386 22.705 9.781 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -14.390 24.935 9.454 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -13.070 24.969 10.647 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.794 25.578 8.997 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -14.361 23.319 7.601 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.766 23.890 7.056 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -13.015 22.168 7.427 1.00 0.00 H new ATOM 51 N GLN A 4 -11.231 20.936 10.007 1.00 0.00 N ATOM 52 CA GLN A 4 -10.895 19.532 9.851 1.00 0.00 C ATOM 53 C GLN A 4 -12.156 18.688 9.762 1.00 0.00 C ATOM 54 O GLN A 4 -12.935 18.609 10.712 1.00 0.00 O ATOM 55 CB GLN A 4 -10.009 19.057 11.003 1.00 0.00 C ATOM 56 CG GLN A 4 -8.651 19.738 11.031 1.00 0.00 C ATOM 57 CD GLN A 4 -7.705 19.132 12.046 1.00 0.00 C ATOM 58 OE1 GLN A 4 -8.125 18.639 13.096 1.00 0.00 O ATOM 59 NE2 GLN A 4 -6.421 19.154 11.732 1.00 0.00 N ATOM 0 H GLN A 4 -11.672 21.170 10.897 1.00 0.00 H new ATOM 0 HA GLN A 4 -10.337 19.415 8.922 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.521 19.242 11.947 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.867 17.979 10.923 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.200 19.677 10.041 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.786 20.796 11.255 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.118 19.572 10.852 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.733 18.753 12.369 1.00 0.00 H new ATOM 68 N SER A 5 -12.352 18.071 8.610 1.00 0.00 N ATOM 69 CA SER A 5 -13.525 17.251 8.369 1.00 0.00 C ATOM 70 C SER A 5 -13.254 15.805 8.783 1.00 0.00 C ATOM 71 O SER A 5 -12.155 15.475 9.234 1.00 0.00 O ATOM 72 CB SER A 5 -13.911 17.326 6.886 1.00 0.00 C ATOM 73 OG SER A 5 -15.151 16.688 6.637 1.00 0.00 O ATOM 0 H SER A 5 -11.708 18.124 7.821 1.00 0.00 H new ATOM 0 HA SER A 5 -14.355 17.627 8.968 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.970 18.370 6.577 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.133 16.858 6.283 1.00 0.00 H new ATOM 0 HG SER A 5 -15.368 16.755 5.684 1.00 0.00 H new ATOM 79 N MET A 6 -14.248 14.943 8.603 1.00 0.00 N ATOM 80 CA MET A 6 -14.126 13.535 8.979 1.00 0.00 C ATOM 81 C MET A 6 -13.221 12.788 8.006 1.00 0.00 C ATOM 82 O MET A 6 -12.862 11.635 8.237 1.00 0.00 O ATOM 83 CB MET A 6 -15.501 12.865 9.019 1.00 0.00 C ATOM 84 CG MET A 6 -16.439 13.449 10.060 1.00 0.00 C ATOM 85 SD MET A 6 -18.052 12.639 10.074 1.00 0.00 S ATOM 86 CE MET A 6 -18.605 12.946 8.398 1.00 0.00 C ATOM 0 H MET A 6 -15.150 15.193 8.198 1.00 0.00 H new ATOM 0 HA MET A 6 -13.682 13.495 9.974 1.00 0.00 H new ATOM 0 HB2 MET A 6 -15.965 12.951 8.037 1.00 0.00 H new ATOM 0 HB3 MET A 6 -15.370 11.801 9.218 1.00 0.00 H new ATOM 0 HG2 MET A 6 -15.983 13.359 11.046 1.00 0.00 H new ATOM 0 HG3 MET A 6 -16.573 14.513 9.867 1.00 0.00 H new ATOM 0 HE1 MET A 6 -19.690 12.852 8.350 1.00 0.00 H new ATOM 0 HE2 MET A 6 -18.314 13.953 8.097 1.00 0.00 H new ATOM 0 HE3 MET A 6 -18.148 12.220 7.725 1.00 0.00 H new ATOM 96 N LEU A 7 -12.842 13.462 6.926 1.00 0.00 N ATOM 97 CA LEU A 7 -11.972 12.876 5.912 1.00 0.00 C ATOM 98 C LEU A 7 -10.532 12.786 6.417 1.00 0.00 C ATOM 99 O LEU A 7 -9.652 12.274 5.730 1.00 0.00 O ATOM 100 CB LEU A 7 -12.026 13.710 4.627 1.00 0.00 C ATOM 101 CG LEU A 7 -13.422 13.896 4.027 1.00 0.00 C ATOM 102 CD1 LEU A 7 -13.353 14.734 2.760 1.00 0.00 C ATOM 103 CD2 LEU A 7 -14.069 12.546 3.742 1.00 0.00 C ATOM 0 H LEU A 7 -13.126 14.422 6.729 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.325 11.867 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -11.603 14.693 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.387 13.239 3.880 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.039 14.424 4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.355 14.855 2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -12.936 15.714 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.718 14.235 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -15.060 12.700 3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -13.453 11.989 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -14.157 11.981 4.670 1.00 0.00 H new ATOM 115 N LEU A 8 -10.297 13.299 7.620 1.00 0.00 N ATOM 116 CA LEU A 8 -8.981 13.217 8.239 1.00 0.00 C ATOM 117 C LEU A 8 -8.906 12.020 9.175 1.00 0.00 C ATOM 118 O LEU A 8 -7.928 11.843 9.905 1.00 0.00 O ATOM 119 CB LEU A 8 -8.654 14.499 9.013 1.00 0.00 C ATOM 120 CG LEU A 8 -8.239 15.703 8.163 1.00 0.00 C ATOM 121 CD1 LEU A 8 -9.417 16.268 7.383 1.00 0.00 C ATOM 122 CD2 LEU A 8 -7.626 16.773 9.047 1.00 0.00 C ATOM 0 H LEU A 8 -11.000 13.775 8.185 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.247 13.096 7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.528 14.778 9.602 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.851 14.281 9.717 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.497 15.367 7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.086 17.121 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.817 15.500 6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.194 16.588 8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.333 17.626 8.435 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.356 17.093 9.791 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.748 16.369 9.551 1.00 0.00 H new ATOM 134 N ASN A 9 -9.945 11.200 9.149 1.00 0.00 N ATOM 135 CA ASN A 9 -10.003 10.008 9.981 1.00 0.00 C ATOM 136 C ASN A 9 -9.400 8.828 9.235 1.00 0.00 C ATOM 137 O ASN A 9 -9.564 8.707 8.022 1.00 0.00 O ATOM 138 CB ASN A 9 -11.455 9.688 10.355 1.00 0.00 C ATOM 139 CG ASN A 9 -11.568 8.533 11.333 1.00 0.00 C ATOM 140 OD1 ASN A 9 -10.684 8.312 12.161 1.00 0.00 O ATOM 141 ND2 ASN A 9 -12.659 7.788 11.249 1.00 0.00 N ATOM 0 H ASN A 9 -10.764 11.339 8.557 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.434 10.192 10.892 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.917 10.574 10.791 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.014 9.449 9.451 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.789 7.000 11.884 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -13.370 8.002 10.550 1.00 0.00 H new ATOM 148 N ASP A 10 -8.682 7.974 9.950 1.00 0.00 N ATOM 149 CA ASP A 10 -8.165 6.756 9.352 1.00 0.00 C ATOM 150 C ASP A 10 -9.310 5.797 9.094 1.00 0.00 C ATOM 151 O ASP A 10 -9.891 5.236 10.025 1.00 0.00 O ATOM 152 CB ASP A 10 -7.114 6.093 10.243 1.00 0.00 C ATOM 153 CG ASP A 10 -6.688 4.737 9.710 1.00 0.00 C ATOM 154 OD1 ASP A 10 -6.102 4.684 8.607 1.00 0.00 O ATOM 155 OD2 ASP A 10 -6.936 3.722 10.394 1.00 0.00 O ATOM 0 H ASP A 10 -8.447 8.101 10.934 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.681 7.016 8.411 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.242 6.742 10.319 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.514 5.977 11.250 1.00 0.00 H new ATOM 160 N VAL A 11 -9.658 5.646 7.833 1.00 0.00 N ATOM 161 CA VAL A 11 -10.747 4.779 7.453 1.00 0.00 C ATOM 162 C VAL A 11 -10.229 3.357 7.386 1.00 0.00 C ATOM 163 O VAL A 11 -9.400 3.030 6.536 1.00 0.00 O ATOM 164 CB VAL A 11 -11.354 5.180 6.091 1.00 0.00 C ATOM 165 CG1 VAL A 11 -12.657 4.439 5.845 1.00 0.00 C ATOM 166 CG2 VAL A 11 -11.572 6.685 6.019 1.00 0.00 C ATOM 0 H VAL A 11 -9.199 6.116 7.053 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.538 4.867 8.198 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.648 4.900 5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.068 4.736 4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.470 3.365 5.845 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.369 4.683 6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.000 6.945 5.051 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.254 6.992 6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.618 7.197 6.143 1.00 0.00 H new ATOM 176 N LYS A 12 -10.683 2.532 8.311 1.00 0.00 N ATOM 177 CA LYS A 12 -10.190 1.175 8.407 1.00 0.00 C ATOM 178 C LYS A 12 -10.611 0.351 7.197 1.00 0.00 C ATOM 179 O LYS A 12 -11.757 0.422 6.748 1.00 0.00 O ATOM 180 CB LYS A 12 -10.680 0.502 9.692 1.00 0.00 C ATOM 181 CG LYS A 12 -10.182 -0.927 9.837 1.00 0.00 C ATOM 182 CD LYS A 12 -10.754 -1.615 11.061 1.00 0.00 C ATOM 183 CE LYS A 12 -10.296 -3.062 11.135 1.00 0.00 C ATOM 184 NZ LYS A 12 -10.832 -3.759 12.331 1.00 0.00 N ATOM 0 H LYS A 12 -11.390 2.779 9.004 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.101 1.225 8.432 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.349 1.086 10.551 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.770 0.505 9.705 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.450 -1.495 8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.094 -0.925 9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.442 -1.084 11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.843 -1.575 11.030 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.615 -3.589 10.236 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.207 -3.096 11.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.494 -4.742 12.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.507 -3.273 13.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.872 -3.751 12.301 1.00 0.00 H new ATOM 198 N TRP A 13 -9.675 -0.425 6.671 1.00 0.00 N ATOM 199 CA TRP A 13 -9.968 -1.333 5.582 1.00 0.00 C ATOM 200 C TRP A 13 -10.885 -2.441 6.067 1.00 0.00 C ATOM 201 O TRP A 13 -10.776 -2.884 7.212 1.00 0.00 O ATOM 202 CB TRP A 13 -8.683 -1.941 5.020 1.00 0.00 C ATOM 203 CG TRP A 13 -8.339 -1.435 3.657 1.00 0.00 C ATOM 204 CD1 TRP A 13 -9.187 -1.324 2.597 1.00 0.00 C ATOM 205 CD2 TRP A 13 -7.060 -0.987 3.200 1.00 0.00 C ATOM 206 NE1 TRP A 13 -8.519 -0.834 1.507 1.00 0.00 N ATOM 207 CE2 TRP A 13 -7.210 -0.614 1.851 1.00 0.00 C ATOM 208 CE3 TRP A 13 -5.804 -0.860 3.799 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -6.149 -0.126 1.092 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -4.753 -0.374 3.045 1.00 0.00 C ATOM 211 CH2 TRP A 13 -4.930 -0.010 1.704 1.00 0.00 C ATOM 0 H TRP A 13 -8.705 -0.441 6.985 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.462 -0.770 4.790 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.859 -1.724 5.700 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.788 -3.025 4.982 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -10.235 -1.585 2.614 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.928 -0.661 0.589 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.657 -1.137 4.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.283 0.151 0.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.778 -0.273 3.498 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.089 0.369 1.142 1.00 0.00 H new ATOM 222 N GLU A 14 -11.794 -2.878 5.202 1.00 0.00 N ATOM 223 CA GLU A 14 -12.699 -3.966 5.548 1.00 0.00 C ATOM 224 C GLU A 14 -11.895 -5.204 5.910 1.00 0.00 C ATOM 225 O GLU A 14 -12.190 -5.889 6.886 1.00 0.00 O ATOM 226 CB GLU A 14 -13.636 -4.278 4.390 1.00 0.00 C ATOM 227 CG GLU A 14 -14.809 -5.159 4.786 1.00 0.00 C ATOM 228 CD GLU A 14 -15.743 -5.438 3.631 1.00 0.00 C ATOM 229 OE1 GLU A 14 -16.448 -4.509 3.190 1.00 0.00 O ATOM 230 OE2 GLU A 14 -15.784 -6.596 3.164 1.00 0.00 O ATOM 0 H GLU A 14 -11.923 -2.499 4.264 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.301 -3.659 6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -14.016 -3.343 3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.072 -4.770 3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.433 -6.103 5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -15.365 -4.677 5.590 1.00 0.00 H new ATOM 237 N LYS A 15 -10.876 -5.489 5.111 1.00 0.00 N ATOM 238 CA LYS A 15 -9.934 -6.533 5.449 1.00 0.00 C ATOM 239 C LYS A 15 -8.511 -6.014 5.286 1.00 0.00 C ATOM 240 O LYS A 15 -8.060 -5.738 4.172 1.00 0.00 O ATOM 241 CB LYS A 15 -10.168 -7.787 4.602 1.00 0.00 C ATOM 242 CG LYS A 15 -9.798 -9.070 5.334 1.00 0.00 C ATOM 243 CD LYS A 15 -10.391 -9.076 6.738 1.00 0.00 C ATOM 244 CE LYS A 15 -10.160 -10.392 7.462 1.00 0.00 C ATOM 245 NZ LYS A 15 -11.043 -11.472 6.950 1.00 0.00 N ATOM 0 H LYS A 15 -10.686 -5.012 4.230 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.085 -6.817 6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.217 -7.831 4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.583 -7.715 3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.163 -9.932 4.775 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.713 -9.163 5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.952 -8.264 7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.462 -8.881 6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.118 -10.691 7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.337 -10.255 8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.853 -12.352 7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.038 -11.199 7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.857 -11.622 5.938 1.00 0.00 H new ATOM 259 N PRO A 16 -7.829 -5.810 6.423 1.00 0.00 N ATOM 260 CA PRO A 16 -6.438 -5.327 6.480 1.00 0.00 C ATOM 261 C PRO A 16 -5.476 -6.093 5.566 1.00 0.00 C ATOM 262 O PRO A 16 -5.668 -7.280 5.282 1.00 0.00 O ATOM 263 CB PRO A 16 -6.066 -5.541 7.946 1.00 0.00 C ATOM 264 CG PRO A 16 -7.354 -5.418 8.679 1.00 0.00 C ATOM 265 CD PRO A 16 -8.396 -6.005 7.771 1.00 0.00 C ATOM 0 HA PRO A 16 -6.361 -4.296 6.134 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.613 -6.520 8.102 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.344 -4.798 8.285 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.317 -5.952 9.629 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.576 -4.376 8.908 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.567 -7.060 7.986 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.355 -5.498 7.880 1.00 0.00 H new ATOM 273 N VAL A 17 -4.426 -5.405 5.123 1.00 0.00 N ATOM 274 CA VAL A 17 -3.468 -5.970 4.177 1.00 0.00 C ATOM 275 C VAL A 17 -2.154 -6.323 4.874 1.00 0.00 C ATOM 276 O VAL A 17 -1.676 -5.575 5.730 1.00 0.00 O ATOM 277 CB VAL A 17 -3.181 -4.986 3.018 1.00 0.00 C ATOM 278 CG1 VAL A 17 -2.274 -5.622 1.970 1.00 0.00 C ATOM 279 CG2 VAL A 17 -4.479 -4.509 2.380 1.00 0.00 C ATOM 0 H VAL A 17 -4.217 -4.448 5.407 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.914 -6.878 3.770 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.664 -4.122 3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.089 -4.908 1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.327 -5.903 2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.757 -6.510 1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.253 -3.818 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.027 -5.365 1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.088 -4.002 3.129 1.00 0.00 H new ATOM 289 N THR A 18 -1.584 -7.464 4.512 1.00 0.00 N ATOM 290 CA THR A 18 -0.329 -7.922 5.092 1.00 0.00 C ATOM 291 C THR A 18 0.838 -7.643 4.143 1.00 0.00 C ATOM 292 O THR A 18 0.873 -8.150 3.020 1.00 0.00 O ATOM 293 CB THR A 18 -0.393 -9.432 5.392 1.00 0.00 C ATOM 294 OG1 THR A 18 -1.654 -9.752 6.001 1.00 0.00 O ATOM 295 CG2 THR A 18 0.740 -9.850 6.317 1.00 0.00 C ATOM 0 H THR A 18 -1.975 -8.095 3.813 1.00 0.00 H new ATOM 0 HA THR A 18 -0.170 -7.376 6.022 1.00 0.00 H new ATOM 0 HB THR A 18 -0.290 -9.974 4.452 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.692 -10.713 6.189 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.673 -10.920 6.514 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.697 -9.627 5.844 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.663 -9.303 7.257 1.00 0.00 H new ATOM 303 N ILE A 19 1.773 -6.819 4.593 1.00 0.00 N ATOM 304 CA ILE A 19 2.963 -6.504 3.818 1.00 0.00 C ATOM 305 C ILE A 19 4.178 -7.225 4.390 1.00 0.00 C ATOM 306 O ILE A 19 4.473 -7.114 5.582 1.00 0.00 O ATOM 307 CB ILE A 19 3.221 -4.977 3.790 1.00 0.00 C ATOM 308 CG1 ILE A 19 2.253 -4.294 2.818 1.00 0.00 C ATOM 309 CG2 ILE A 19 4.664 -4.661 3.416 1.00 0.00 C ATOM 310 CD1 ILE A 19 2.510 -4.632 1.367 1.00 0.00 C ATOM 0 H ILE A 19 1.729 -6.353 5.499 1.00 0.00 H new ATOM 0 HA ILE A 19 2.796 -6.844 2.796 1.00 0.00 H new ATOM 0 HB ILE A 19 3.048 -4.589 4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.233 -4.581 3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.323 -3.214 2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.809 -3.581 3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.336 -5.111 4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.880 -5.065 2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.786 -4.113 0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.518 -4.320 1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.411 -5.708 1.221 1.00 0.00 H new ATOM 322 N SER A 20 4.867 -7.974 3.545 1.00 0.00 N ATOM 323 CA SER A 20 6.056 -8.691 3.968 1.00 0.00 C ATOM 324 C SER A 20 7.276 -7.788 3.856 1.00 0.00 C ATOM 325 O SER A 20 7.845 -7.627 2.776 1.00 0.00 O ATOM 326 CB SER A 20 6.251 -9.944 3.116 1.00 0.00 C ATOM 327 OG SER A 20 5.071 -10.730 3.087 1.00 0.00 O ATOM 0 H SER A 20 4.623 -8.101 2.563 1.00 0.00 H new ATOM 0 HA SER A 20 5.932 -8.992 5.008 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.526 -9.658 2.101 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.075 -10.535 3.516 1.00 0.00 H new ATOM 0 HG SER A 20 4.889 -11.013 2.167 1.00 0.00 H new ATOM 333 N LEU A 21 7.655 -7.172 4.967 1.00 0.00 N ATOM 334 CA LEU A 21 8.803 -6.281 4.985 1.00 0.00 C ATOM 335 C LEU A 21 10.076 -7.052 4.668 1.00 0.00 C ATOM 336 O LEU A 21 10.199 -8.228 5.011 1.00 0.00 O ATOM 337 CB LEU A 21 8.936 -5.599 6.348 1.00 0.00 C ATOM 338 CG LEU A 21 7.729 -4.768 6.784 1.00 0.00 C ATOM 339 CD1 LEU A 21 7.957 -4.189 8.171 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.457 -3.659 5.784 1.00 0.00 C ATOM 0 H LEU A 21 7.184 -7.274 5.866 1.00 0.00 H new ATOM 0 HA LEU A 21 8.651 -5.516 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.121 -6.364 7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.813 -4.952 6.328 1.00 0.00 H new ATOM 0 HG LEU A 21 6.856 -5.420 6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.089 -3.600 8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.105 -5.000 8.884 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.841 -3.551 8.158 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.595 -3.078 6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.329 -3.008 5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.252 -4.094 4.806 1.00 0.00 H new ATOM 352 N GLN A 22 11.031 -6.369 4.047 1.00 0.00 N ATOM 353 CA GLN A 22 12.298 -6.981 3.641 1.00 0.00 C ATOM 354 C GLN A 22 13.184 -7.311 4.846 1.00 0.00 C ATOM 355 O GLN A 22 14.347 -7.679 4.693 1.00 0.00 O ATOM 356 CB GLN A 22 13.035 -6.052 2.673 1.00 0.00 C ATOM 357 CG GLN A 22 13.183 -4.627 3.183 1.00 0.00 C ATOM 358 CD GLN A 22 13.801 -3.696 2.156 1.00 0.00 C ATOM 359 OE1 GLN A 22 13.649 -3.893 0.951 1.00 0.00 O ATOM 360 NE2 GLN A 22 14.487 -2.667 2.627 1.00 0.00 N ATOM 0 H GLN A 22 10.953 -5.380 3.810 1.00 0.00 H new ATOM 0 HA GLN A 22 12.072 -7.922 3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.025 -6.462 2.474 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.501 -6.034 1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.203 -4.245 3.470 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.800 -4.630 4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.589 -2.540 3.634 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.914 -2.001 1.983 1.00 0.00 H new ATOM 369 N ASN A 23 12.623 -7.177 6.038 1.00 0.00 N ATOM 370 CA ASN A 23 13.316 -7.536 7.266 1.00 0.00 C ATOM 371 C ASN A 23 12.693 -8.794 7.859 1.00 0.00 C ATOM 372 O ASN A 23 12.998 -9.180 8.986 1.00 0.00 O ATOM 373 CB ASN A 23 13.245 -6.386 8.276 1.00 0.00 C ATOM 374 CG ASN A 23 13.985 -5.143 7.810 1.00 0.00 C ATOM 375 OD1 ASN A 23 15.074 -5.332 7.081 1.00 0.00 O flip ATOM 376 ND2 ASN A 23 13.584 -4.018 8.109 1.00 0.00 N flip ATOM 0 H ASN A 23 11.679 -6.818 6.181 1.00 0.00 H new ATOM 0 HA ASN A 23 14.364 -7.729 7.036 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.200 -6.134 8.459 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.664 -6.717 9.226 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.741 -3.910 8.672 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.095 -3.194 7.793 1.00 0.00 H new ATOM 383 N GLY A 24 11.815 -9.424 7.085 1.00 0.00 N ATOM 384 CA GLY A 24 11.145 -10.625 7.540 1.00 0.00 C ATOM 385 C GLY A 24 10.055 -10.320 8.546 1.00 0.00 C ATOM 386 O GLY A 24 9.999 -10.929 9.614 1.00 0.00 O ATOM 0 H GLY A 24 11.556 -9.121 6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.714 -11.146 6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.874 -11.299 7.989 1.00 0.00 H new ATOM 390 N ALA A 25 9.188 -9.378 8.206 1.00 0.00 N ATOM 391 CA ALA A 25 8.133 -8.956 9.118 1.00 0.00 C ATOM 392 C ALA A 25 6.824 -8.694 8.376 1.00 0.00 C ATOM 393 O ALA A 25 6.744 -7.793 7.542 1.00 0.00 O ATOM 394 CB ALA A 25 8.565 -7.711 9.883 1.00 0.00 C ATOM 0 H ALA A 25 9.193 -8.892 7.309 1.00 0.00 H new ATOM 0 HA ALA A 25 7.958 -9.767 9.825 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.768 -7.406 10.561 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.465 -7.931 10.457 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.771 -6.905 9.179 1.00 0.00 H new ATOM 400 N PRO A 26 5.791 -9.504 8.652 1.00 0.00 N ATOM 401 CA PRO A 26 4.452 -9.309 8.096 1.00 0.00 C ATOM 402 C PRO A 26 3.708 -8.181 8.804 1.00 0.00 C ATOM 403 O PRO A 26 3.088 -8.386 9.852 1.00 0.00 O ATOM 404 CB PRO A 26 3.749 -10.655 8.340 1.00 0.00 C ATOM 405 CG PRO A 26 4.792 -11.569 8.904 1.00 0.00 C ATOM 406 CD PRO A 26 5.842 -10.685 9.512 1.00 0.00 C ATOM 0 HA PRO A 26 4.483 -9.027 7.044 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.915 -10.540 9.033 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.340 -11.055 7.412 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.362 -12.234 9.653 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.219 -12.200 8.124 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.617 -10.442 10.551 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.826 -11.155 9.500 1.00 0.00 H new ATOM 414 N ARG A 27 3.793 -6.990 8.237 1.00 0.00 N ATOM 415 CA ARG A 27 3.146 -5.822 8.805 1.00 0.00 C ATOM 416 C ARG A 27 1.739 -5.681 8.243 1.00 0.00 C ATOM 417 O ARG A 27 1.550 -5.506 7.039 1.00 0.00 O ATOM 418 CB ARG A 27 3.983 -4.567 8.531 1.00 0.00 C ATOM 419 CG ARG A 27 3.321 -3.268 8.965 1.00 0.00 C ATOM 420 CD ARG A 27 4.342 -2.157 9.156 1.00 0.00 C ATOM 421 NE ARG A 27 5.173 -2.389 10.336 1.00 0.00 N ATOM 422 CZ ARG A 27 6.352 -1.805 10.557 1.00 0.00 C ATOM 423 NH1 ARG A 27 6.842 -0.926 9.689 1.00 0.00 N ATOM 424 NH2 ARG A 27 7.038 -2.092 11.655 1.00 0.00 N ATOM 0 H ARG A 27 4.309 -6.807 7.376 1.00 0.00 H new ATOM 0 HA ARG A 27 3.069 -5.944 9.885 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.940 -4.663 9.044 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.198 -4.513 7.464 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.588 -2.965 8.217 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.778 -3.429 9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.975 -2.088 8.272 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.827 -1.201 9.255 1.00 0.00 H new ATOM 0 HE ARG A 27 4.828 -3.042 11.039 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.316 -0.694 8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.744 -0.484 9.865 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.664 -2.759 12.330 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.939 -1.646 11.824 1.00 0.00 H new ATOM 438 N ILE A 28 0.754 -5.785 9.121 1.00 0.00 N ATOM 439 CA ILE A 28 -0.641 -5.733 8.719 1.00 0.00 C ATOM 440 C ILE A 28 -1.207 -4.339 8.953 1.00 0.00 C ATOM 441 O ILE A 28 -1.199 -3.839 10.077 1.00 0.00 O ATOM 442 CB ILE A 28 -1.484 -6.767 9.496 1.00 0.00 C ATOM 443 CG1 ILE A 28 -0.887 -8.169 9.327 1.00 0.00 C ATOM 444 CG2 ILE A 28 -2.929 -6.743 9.017 1.00 0.00 C ATOM 445 CD1 ILE A 28 -1.604 -9.240 10.122 1.00 0.00 C ATOM 0 H ILE A 28 0.898 -5.907 10.123 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.689 -5.972 7.657 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.468 -6.506 10.554 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.909 -8.438 8.271 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.160 -8.146 9.628 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.510 -7.478 9.575 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.349 -5.750 9.178 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.964 -6.984 7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.124 -10.203 9.951 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.560 -8.996 11.183 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.646 -9.292 9.805 1.00 0.00 H new ATOM 457 N PHE A 29 -1.684 -3.714 7.889 1.00 0.00 N ATOM 458 CA PHE A 29 -2.235 -2.369 7.976 1.00 0.00 C ATOM 459 C PHE A 29 -3.744 -2.428 8.120 1.00 0.00 C ATOM 460 O PHE A 29 -4.436 -2.972 7.256 1.00 0.00 O ATOM 461 CB PHE A 29 -1.860 -1.556 6.738 1.00 0.00 C ATOM 462 CG PHE A 29 -0.381 -1.483 6.508 1.00 0.00 C ATOM 463 CD1 PHE A 29 0.394 -0.555 7.184 1.00 0.00 C ATOM 464 CD2 PHE A 29 0.237 -2.353 5.627 1.00 0.00 C ATOM 465 CE1 PHE A 29 1.757 -0.495 6.979 1.00 0.00 C ATOM 466 CE2 PHE A 29 1.599 -2.298 5.420 1.00 0.00 C ATOM 467 CZ PHE A 29 2.360 -1.370 6.096 1.00 0.00 C ATOM 0 H PHE A 29 -1.701 -4.117 6.952 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.814 -1.881 8.855 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.336 -1.998 5.863 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.256 -0.546 6.841 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.073 0.128 7.878 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.355 -3.084 5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.352 0.235 7.508 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.069 -2.982 4.729 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.427 -1.326 5.936 1.00 0.00 H new ATOM 477 N ASN A 30 -4.248 -1.870 9.210 1.00 0.00 N ATOM 478 CA ASN A 30 -5.676 -1.901 9.496 1.00 0.00 C ATOM 479 C ASN A 30 -6.386 -0.827 8.693 1.00 0.00 C ATOM 480 O ASN A 30 -7.424 -1.072 8.083 1.00 0.00 O ATOM 481 CB ASN A 30 -5.948 -1.658 10.986 1.00 0.00 C ATOM 482 CG ASN A 30 -4.978 -2.374 11.903 1.00 0.00 C ATOM 483 OD1 ASN A 30 -5.206 -3.516 12.311 1.00 0.00 O ATOM 484 ND2 ASN A 30 -3.893 -1.696 12.245 1.00 0.00 N ATOM 0 H ASN A 30 -3.688 -1.389 9.914 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.049 -2.888 9.223 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.901 -0.587 11.186 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.962 -1.982 11.219 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.205 -2.116 12.870 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.745 -0.754 11.883 1.00 0.00 H new ATOM 491 N GLY A 31 -5.806 0.363 8.690 1.00 0.00 N ATOM 492 CA GLY A 31 -6.450 1.494 8.068 1.00 0.00 C ATOM 493 C GLY A 31 -5.736 1.967 6.828 1.00 0.00 C ATOM 494 O GLY A 31 -4.553 1.677 6.624 1.00 0.00 O ATOM 0 H GLY A 31 -4.898 0.563 9.109 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.475 1.226 7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.505 2.314 8.784 1.00 0.00 H new ATOM 498 N VAL A 32 -6.461 2.706 6.002 1.00 0.00 N ATOM 499 CA VAL A 32 -5.930 3.213 4.751 1.00 0.00 C ATOM 500 C VAL A 32 -4.839 4.255 4.999 1.00 0.00 C ATOM 501 O VAL A 32 -3.873 4.350 4.239 1.00 0.00 O ATOM 502 CB VAL A 32 -7.049 3.827 3.880 1.00 0.00 C ATOM 503 CG1 VAL A 32 -6.496 4.325 2.557 1.00 0.00 C ATOM 504 CG2 VAL A 32 -8.159 2.814 3.640 1.00 0.00 C ATOM 0 H VAL A 32 -7.430 2.969 6.181 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.494 2.369 4.217 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.465 4.678 4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.304 4.752 1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.739 5.087 2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.047 3.493 2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.937 3.266 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.752 1.942 3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.584 2.507 4.596 1.00 0.00 H new ATOM 514 N TYR A 33 -4.967 5.014 6.085 1.00 0.00 N ATOM 515 CA TYR A 33 -4.004 6.066 6.372 1.00 0.00 C ATOM 516 C TYR A 33 -2.689 5.460 6.841 1.00 0.00 C ATOM 517 O TYR A 33 -1.617 5.960 6.505 1.00 0.00 O ATOM 518 CB TYR A 33 -4.535 7.048 7.422 1.00 0.00 C ATOM 519 CG TYR A 33 -3.647 8.263 7.601 1.00 0.00 C ATOM 520 CD1 TYR A 33 -3.819 9.388 6.807 1.00 0.00 C ATOM 521 CD2 TYR A 33 -2.631 8.278 8.550 1.00 0.00 C ATOM 522 CE1 TYR A 33 -3.007 10.494 6.952 1.00 0.00 C ATOM 523 CE2 TYR A 33 -1.811 9.382 8.697 1.00 0.00 C ATOM 524 CZ TYR A 33 -2.005 10.487 7.896 1.00 0.00 C ATOM 525 OH TYR A 33 -1.193 11.587 8.034 1.00 0.00 O ATOM 0 H TYR A 33 -5.717 4.920 6.770 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.837 6.623 5.450 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.534 7.375 7.133 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.632 6.532 8.377 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.602 9.398 6.063 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.480 7.415 9.182 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.157 11.362 6.327 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.023 9.378 9.435 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.537 11.423 8.744 1.00 0.00 H new ATOM 535 N GLU A 34 -2.775 4.373 7.608 1.00 0.00 N ATOM 536 CA GLU A 34 -1.581 3.677 8.081 1.00 0.00 C ATOM 537 C GLU A 34 -0.722 3.249 6.900 1.00 0.00 C ATOM 538 O GLU A 34 0.494 3.453 6.889 1.00 0.00 O ATOM 539 CB GLU A 34 -1.953 2.442 8.905 1.00 0.00 C ATOM 540 CG GLU A 34 -2.745 2.748 10.163 1.00 0.00 C ATOM 541 CD GLU A 34 -2.960 1.514 11.014 1.00 0.00 C ATOM 542 OE1 GLU A 34 -3.816 0.680 10.656 1.00 0.00 O ATOM 543 OE2 GLU A 34 -2.276 1.371 12.048 1.00 0.00 O ATOM 0 H GLU A 34 -3.655 3.958 7.913 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.022 4.366 8.714 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.534 1.764 8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.040 1.916 9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.220 3.504 10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.711 3.172 9.889 1.00 0.00 H new ATOM 550 N ALA A 35 -1.375 2.667 5.903 1.00 0.00 N ATOM 551 CA ALA A 35 -0.696 2.213 4.701 1.00 0.00 C ATOM 552 C ALA A 35 -0.159 3.396 3.901 1.00 0.00 C ATOM 553 O ALA A 35 0.997 3.395 3.478 1.00 0.00 O ATOM 554 CB ALA A 35 -1.641 1.372 3.858 1.00 0.00 C ATOM 0 H ALA A 35 -2.381 2.498 5.905 1.00 0.00 H new ATOM 0 HA ALA A 35 0.154 1.596 4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.125 1.036 2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.969 0.506 4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.508 1.970 3.576 1.00 0.00 H new ATOM 560 N PHE A 36 -1.001 4.411 3.721 1.00 0.00 N ATOM 561 CA PHE A 36 -0.629 5.619 2.985 1.00 0.00 C ATOM 562 C PHE A 36 0.593 6.287 3.613 1.00 0.00 C ATOM 563 O PHE A 36 1.509 6.722 2.913 1.00 0.00 O ATOM 564 CB PHE A 36 -1.813 6.593 2.963 1.00 0.00 C ATOM 565 CG PHE A 36 -1.545 7.884 2.239 1.00 0.00 C ATOM 566 CD1 PHE A 36 -1.202 7.886 0.897 1.00 0.00 C ATOM 567 CD2 PHE A 36 -1.635 9.098 2.905 1.00 0.00 C ATOM 568 CE1 PHE A 36 -0.957 9.071 0.231 1.00 0.00 C ATOM 569 CE2 PHE A 36 -1.392 10.287 2.242 1.00 0.00 C ATOM 570 CZ PHE A 36 -1.051 10.273 0.905 1.00 0.00 C ATOM 0 H PHE A 36 -1.956 4.421 4.079 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.372 5.339 1.963 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.665 6.099 2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.100 6.820 3.990 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.125 6.949 0.365 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.898 9.114 3.952 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.692 9.058 -0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.469 11.226 2.770 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.858 11.200 0.386 1.00 0.00 H new ATOM 580 N ASP A 37 0.601 6.361 4.935 1.00 0.00 N ATOM 581 CA ASP A 37 1.707 6.965 5.673 1.00 0.00 C ATOM 582 C ASP A 37 2.976 6.130 5.517 1.00 0.00 C ATOM 583 O ASP A 37 4.065 6.662 5.285 1.00 0.00 O ATOM 584 CB ASP A 37 1.333 7.089 7.151 1.00 0.00 C ATOM 585 CG ASP A 37 2.402 7.771 7.974 1.00 0.00 C ATOM 586 OD1 ASP A 37 2.397 9.020 8.046 1.00 0.00 O ATOM 587 OD2 ASP A 37 3.243 7.064 8.566 1.00 0.00 O ATOM 0 H ASP A 37 -0.152 6.008 5.526 1.00 0.00 H new ATOM 0 HA ASP A 37 1.900 7.958 5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.402 7.649 7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.147 6.095 7.558 1.00 0.00 H new ATOM 592 N PHE A 38 2.815 4.817 5.623 1.00 0.00 N ATOM 593 CA PHE A 38 3.921 3.872 5.484 1.00 0.00 C ATOM 594 C PHE A 38 4.580 3.987 4.112 1.00 0.00 C ATOM 595 O PHE A 38 5.809 3.996 4.005 1.00 0.00 O ATOM 596 CB PHE A 38 3.404 2.447 5.712 1.00 0.00 C ATOM 597 CG PHE A 38 4.366 1.358 5.320 1.00 0.00 C ATOM 598 CD1 PHE A 38 5.445 1.035 6.127 1.00 0.00 C ATOM 599 CD2 PHE A 38 4.177 0.649 4.146 1.00 0.00 C ATOM 600 CE1 PHE A 38 6.317 0.024 5.766 1.00 0.00 C ATOM 601 CE2 PHE A 38 5.042 -0.362 3.783 1.00 0.00 C ATOM 602 CZ PHE A 38 6.113 -0.675 4.592 1.00 0.00 C ATOM 0 H PHE A 38 1.915 4.375 5.808 1.00 0.00 H new ATOM 0 HA PHE A 38 4.677 4.109 6.232 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.154 2.330 6.767 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.480 2.316 5.149 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.607 1.578 7.047 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.341 0.891 3.506 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.156 -0.219 6.401 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.880 -0.908 2.865 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.792 -1.466 4.309 1.00 0.00 H new ATOM 612 N LEU A 39 3.753 4.096 3.073 1.00 0.00 N ATOM 613 CA LEU A 39 4.231 4.189 1.695 1.00 0.00 C ATOM 614 C LEU A 39 5.160 5.384 1.506 1.00 0.00 C ATOM 615 O LEU A 39 6.051 5.363 0.655 1.00 0.00 O ATOM 616 CB LEU A 39 3.050 4.317 0.731 1.00 0.00 C ATOM 617 CG LEU A 39 2.118 3.108 0.663 1.00 0.00 C ATOM 618 CD1 LEU A 39 0.908 3.421 -0.206 1.00 0.00 C ATOM 619 CD2 LEU A 39 2.860 1.894 0.127 1.00 0.00 C ATOM 0 H LEU A 39 2.737 4.122 3.162 1.00 0.00 H new ATOM 0 HA LEU A 39 4.787 3.277 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.463 5.190 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.440 4.509 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 39 1.770 2.881 1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.253 2.551 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.364 4.265 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.239 3.672 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.181 1.042 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.235 2.109 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.697 1.659 0.785 1.00 0.00 H new ATOM 631 N GLN A 40 4.942 6.423 2.297 1.00 0.00 N ATOM 632 CA GLN A 40 5.721 7.646 2.181 1.00 0.00 C ATOM 633 C GLN A 40 6.971 7.589 3.047 1.00 0.00 C ATOM 634 O GLN A 40 8.009 8.139 2.686 1.00 0.00 O ATOM 635 CB GLN A 40 4.874 8.854 2.583 1.00 0.00 C ATOM 636 CG GLN A 40 3.658 9.075 1.700 1.00 0.00 C ATOM 637 CD GLN A 40 2.677 10.055 2.309 1.00 0.00 C ATOM 638 OE1 GLN A 40 2.764 11.263 2.097 1.00 0.00 O ATOM 639 NE2 GLN A 40 1.731 9.536 3.071 1.00 0.00 N ATOM 0 H GLN A 40 4.231 6.444 3.028 1.00 0.00 H new ATOM 0 HA GLN A 40 6.027 7.747 1.140 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.544 8.727 3.614 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.498 9.748 2.556 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.981 9.445 0.727 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.158 8.122 1.529 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.694 8.528 3.222 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.038 10.143 3.508 1.00 0.00 H new ATOM 648 N HIS A 41 6.870 6.936 4.196 1.00 0.00 N ATOM 649 CA HIS A 41 8.000 6.863 5.112 1.00 0.00 C ATOM 650 C HIS A 41 9.050 5.885 4.610 1.00 0.00 C ATOM 651 O HIS A 41 10.106 6.298 4.131 1.00 0.00 O ATOM 652 CB HIS A 41 7.550 6.489 6.527 1.00 0.00 C ATOM 653 CG HIS A 41 7.053 7.661 7.314 1.00 0.00 C ATOM 654 ND1 HIS A 41 7.806 8.301 8.276 1.00 0.00 N ATOM 655 CD2 HIS A 41 5.871 8.315 7.271 1.00 0.00 C ATOM 656 CE1 HIS A 41 7.109 9.298 8.786 1.00 0.00 C ATOM 657 NE2 HIS A 41 5.931 9.328 8.193 1.00 0.00 N ATOM 0 H HIS A 41 6.029 6.455 4.514 1.00 0.00 H new ATOM 0 HA HIS A 41 8.449 7.855 5.154 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.761 5.740 6.465 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.384 6.030 7.058 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.034 8.083 6.629 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.445 9.975 9.558 1.00 0.00 H new ATOM 0 HE2 HIS A 41 5.186 9.996 8.389 1.00 0.00 H new ATOM 666 N GLU A 42 8.763 4.594 4.698 1.00 0.00 N ATOM 667 CA GLU A 42 9.734 3.591 4.291 1.00 0.00 C ATOM 668 C GLU A 42 9.082 2.432 3.553 1.00 0.00 C ATOM 669 O GLU A 42 8.860 1.361 4.117 1.00 0.00 O ATOM 670 CB GLU A 42 10.535 3.070 5.487 1.00 0.00 C ATOM 671 CG GLU A 42 11.474 4.105 6.081 1.00 0.00 C ATOM 672 CD GLU A 42 12.474 3.507 7.041 1.00 0.00 C ATOM 673 OE1 GLU A 42 13.456 2.898 6.571 1.00 0.00 O ATOM 674 OE2 GLU A 42 12.300 3.660 8.265 1.00 0.00 O ATOM 0 H GLU A 42 7.878 4.221 5.043 1.00 0.00 H new ATOM 0 HA GLU A 42 10.420 4.085 3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.843 2.732 6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.114 2.201 5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.008 4.609 5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.889 4.864 6.600 1.00 0.00 H new ATOM 681 N TRP A 43 8.750 2.671 2.298 1.00 0.00 N ATOM 682 CA TRP A 43 8.359 1.598 1.404 1.00 0.00 C ATOM 683 C TRP A 43 9.616 1.008 0.764 1.00 0.00 C ATOM 684 O TRP A 43 10.394 1.739 0.151 1.00 0.00 O ATOM 685 CB TRP A 43 7.386 2.120 0.340 1.00 0.00 C ATOM 686 CG TRP A 43 7.050 1.111 -0.719 1.00 0.00 C ATOM 687 CD1 TRP A 43 7.540 1.078 -1.986 1.00 0.00 C ATOM 688 CD2 TRP A 43 6.157 -0.002 -0.605 1.00 0.00 C ATOM 689 NE1 TRP A 43 7.012 0.014 -2.671 1.00 0.00 N ATOM 690 CE2 TRP A 43 6.161 -0.667 -1.847 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.359 -0.504 0.422 1.00 0.00 C ATOM 692 CZ2 TRP A 43 5.395 -1.805 -2.084 1.00 0.00 C ATOM 693 CZ3 TRP A 43 4.598 -1.632 0.186 1.00 0.00 C ATOM 694 CH2 TRP A 43 4.622 -2.274 -1.058 1.00 0.00 C ATOM 0 H TRP A 43 8.743 3.599 1.875 1.00 0.00 H new ATOM 0 HA TRP A 43 7.844 0.816 1.963 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.466 2.441 0.828 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.819 3.001 -0.134 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.244 1.788 -2.395 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.221 -0.230 -3.639 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.336 -0.019 1.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.411 -2.300 -3.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.974 -2.026 0.974 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.018 -3.157 -1.210 1.00 0.00 H new ATOM 705 N PRO A 44 9.829 -0.317 0.930 1.00 0.00 N ATOM 706 CA PRO A 44 11.037 -1.027 0.479 1.00 0.00 C ATOM 707 C PRO A 44 11.635 -0.496 -0.824 1.00 0.00 C ATOM 708 O PRO A 44 12.751 0.026 -0.833 1.00 0.00 O ATOM 709 CB PRO A 44 10.524 -2.447 0.294 1.00 0.00 C ATOM 710 CG PRO A 44 9.488 -2.611 1.356 1.00 0.00 C ATOM 711 CD PRO A 44 8.888 -1.244 1.590 1.00 0.00 C ATOM 0 HA PRO A 44 11.855 -0.916 1.191 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.100 -2.589 -0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.326 -3.177 0.406 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.723 -3.322 1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.931 -3.002 2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.889 -1.169 1.161 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.795 -1.027 2.654 1.00 0.00 H new ATOM 719 N ALA A 45 10.890 -0.625 -1.912 1.00 0.00 N ATOM 720 CA ALA A 45 11.337 -0.139 -3.209 1.00 0.00 C ATOM 721 C ALA A 45 10.196 0.576 -3.912 1.00 0.00 C ATOM 722 O ALA A 45 9.226 -0.063 -4.320 1.00 0.00 O ATOM 723 CB ALA A 45 11.852 -1.291 -4.060 1.00 0.00 C ATOM 0 H ALA A 45 9.969 -1.064 -1.922 1.00 0.00 H new ATOM 0 HA ALA A 45 12.155 0.566 -3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 45 12.182 -0.910 -5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.689 -1.771 -3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.054 -2.018 -4.210 1.00 0.00 H new ATOM 729 N ARG A 46 10.315 1.899 -4.032 1.00 0.00 N ATOM 730 CA ARG A 46 9.252 2.741 -4.587 1.00 0.00 C ATOM 731 C ARG A 46 8.755 2.224 -5.930 1.00 0.00 C ATOM 732 O ARG A 46 7.711 1.572 -6.000 1.00 0.00 O ATOM 733 CB ARG A 46 9.730 4.190 -4.714 1.00 0.00 C ATOM 734 CG ARG A 46 9.755 4.935 -3.388 1.00 0.00 C ATOM 735 CD ARG A 46 10.391 6.309 -3.525 1.00 0.00 C ATOM 736 NE ARG A 46 10.113 7.153 -2.363 1.00 0.00 N ATOM 737 CZ ARG A 46 10.879 7.213 -1.273 1.00 0.00 C ATOM 738 NH1 ARG A 46 12.024 6.540 -1.218 1.00 0.00 N ATOM 739 NH2 ARG A 46 10.510 7.976 -0.250 1.00 0.00 N ATOM 0 H ARG A 46 11.147 2.416 -3.749 1.00 0.00 H new ATOM 0 HA ARG A 46 8.411 2.703 -3.894 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.731 4.198 -5.146 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.078 4.720 -5.408 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.738 5.041 -3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.308 4.350 -2.653 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.469 6.200 -3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.016 6.795 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 46 9.276 7.735 -2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.321 5.974 -2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.605 6.590 -0.381 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.644 8.513 -0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.093 8.025 0.586 1.00 0.00 H new ATOM 753 N GLY A 47 9.470 2.540 -6.991 1.00 0.00 N ATOM 754 CA GLY A 47 9.131 1.994 -8.282 1.00 0.00 C ATOM 755 C GLY A 47 8.906 3.058 -9.332 1.00 0.00 C ATOM 756 O GLY A 47 9.855 3.599 -9.906 1.00 0.00 O ATOM 0 H GLY A 47 10.277 3.163 -6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.930 1.330 -8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.230 1.387 -8.189 1.00 0.00 H new ATOM 760 N ASP A 48 7.639 3.374 -9.557 1.00 0.00 N ATOM 761 CA ASP A 48 7.235 4.274 -10.627 1.00 0.00 C ATOM 762 C ASP A 48 5.765 4.653 -10.462 1.00 0.00 C ATOM 763 O ASP A 48 5.285 4.809 -9.337 1.00 0.00 O ATOM 764 CB ASP A 48 7.459 3.601 -11.990 1.00 0.00 C ATOM 765 CG ASP A 48 6.828 2.222 -12.085 1.00 0.00 C ATOM 766 OD1 ASP A 48 5.605 2.137 -12.334 1.00 0.00 O ATOM 767 OD2 ASP A 48 7.556 1.219 -11.924 1.00 0.00 O ATOM 0 H ASP A 48 6.862 3.014 -9.003 1.00 0.00 H new ATOM 0 HA ASP A 48 7.839 5.180 -10.578 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.048 4.237 -12.774 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.530 3.518 -12.176 1.00 0.00 H new ATOM 772 N ARG A 49 5.061 4.783 -11.585 1.00 0.00 N ATOM 773 CA ARG A 49 3.638 5.120 -11.598 1.00 0.00 C ATOM 774 C ARG A 49 2.836 4.192 -10.686 1.00 0.00 C ATOM 775 O ARG A 49 1.851 4.609 -10.078 1.00 0.00 O ATOM 776 CB ARG A 49 3.095 5.030 -13.027 1.00 0.00 C ATOM 777 CG ARG A 49 3.726 6.024 -13.990 1.00 0.00 C ATOM 778 CD ARG A 49 3.296 5.754 -15.424 1.00 0.00 C ATOM 779 NE ARG A 49 3.770 6.783 -16.351 1.00 0.00 N ATOM 780 CZ ARG A 49 3.936 6.595 -17.661 1.00 0.00 C ATOM 781 NH1 ARG A 49 3.737 5.399 -18.199 1.00 0.00 N ATOM 782 NH2 ARG A 49 4.315 7.609 -18.429 1.00 0.00 N ATOM 0 H ARG A 49 5.462 4.657 -12.514 1.00 0.00 H new ATOM 0 HA ARG A 49 3.531 6.139 -11.226 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.258 4.020 -13.404 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.017 5.193 -13.007 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.442 7.038 -13.708 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.812 5.965 -13.917 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.677 4.782 -15.738 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.208 5.700 -15.470 1.00 0.00 H new ATOM 0 HE ARG A 49 3.988 7.704 -15.970 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.455 4.615 -17.610 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.866 5.263 -19.202 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.478 8.528 -18.017 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.443 7.470 -19.431 1.00 0.00 H new ATOM 796 N ALA A 50 3.266 2.935 -10.589 1.00 0.00 N ATOM 797 CA ALA A 50 2.591 1.952 -9.745 1.00 0.00 C ATOM 798 C ALA A 50 2.598 2.377 -8.275 1.00 0.00 C ATOM 799 O ALA A 50 1.628 2.153 -7.548 1.00 0.00 O ATOM 800 CB ALA A 50 3.243 0.586 -9.903 1.00 0.00 C ATOM 0 H ALA A 50 4.080 2.573 -11.086 1.00 0.00 H new ATOM 0 HA ALA A 50 1.552 1.890 -10.069 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.731 -0.137 -9.269 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.175 0.269 -10.944 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.291 0.647 -9.610 1.00 0.00 H new ATOM 806 N HIS A 51 3.685 3.008 -7.848 1.00 0.00 N ATOM 807 CA HIS A 51 3.809 3.472 -6.470 1.00 0.00 C ATOM 808 C HIS A 51 2.950 4.715 -6.259 1.00 0.00 C ATOM 809 O HIS A 51 2.328 4.878 -5.210 1.00 0.00 O ATOM 810 CB HIS A 51 5.278 3.763 -6.134 1.00 0.00 C ATOM 811 CG HIS A 51 5.505 4.293 -4.745 1.00 0.00 C ATOM 812 ND1 HIS A 51 5.652 3.484 -3.638 1.00 0.00 N ATOM 813 CD2 HIS A 51 5.627 5.565 -4.293 1.00 0.00 C ATOM 814 CE1 HIS A 51 5.852 4.235 -2.569 1.00 0.00 C ATOM 815 NE2 HIS A 51 5.843 5.502 -2.939 1.00 0.00 N ATOM 0 H HIS A 51 4.494 3.211 -8.435 1.00 0.00 H new ATOM 0 HA HIS A 51 3.456 2.688 -5.800 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.855 2.847 -6.259 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.666 4.484 -6.853 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.566 6.464 -4.889 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.998 3.873 -1.562 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.975 6.302 -2.321 1.00 0.00 H new ATOM 824 N GLU A 52 2.917 5.576 -7.267 1.00 0.00 N ATOM 825 CA GLU A 52 2.108 6.790 -7.217 1.00 0.00 C ATOM 826 C GLU A 52 0.626 6.430 -7.193 1.00 0.00 C ATOM 827 O GLU A 52 -0.168 7.056 -6.492 1.00 0.00 O ATOM 828 CB GLU A 52 2.413 7.678 -8.425 1.00 0.00 C ATOM 829 CG GLU A 52 3.891 7.992 -8.585 1.00 0.00 C ATOM 830 CD GLU A 52 4.175 8.834 -9.811 1.00 0.00 C ATOM 831 OE1 GLU A 52 4.044 8.315 -10.936 1.00 0.00 O ATOM 832 OE2 GLU A 52 4.535 10.024 -9.656 1.00 0.00 O ATOM 0 H GLU A 52 3.443 5.457 -8.133 1.00 0.00 H new ATOM 0 HA GLU A 52 2.353 7.338 -6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.054 7.185 -9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.859 8.612 -8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.246 8.516 -7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.452 7.060 -8.650 1.00 0.00 H new ATOM 839 N GLN A 53 0.273 5.406 -7.962 1.00 0.00 N ATOM 840 CA GLN A 53 -1.082 4.873 -7.995 1.00 0.00 C ATOM 841 C GLN A 53 -1.532 4.461 -6.598 1.00 0.00 C ATOM 842 O GLN A 53 -2.607 4.848 -6.144 1.00 0.00 O ATOM 843 CB GLN A 53 -1.138 3.672 -8.940 1.00 0.00 C ATOM 844 CG GLN A 53 -2.485 2.975 -8.984 1.00 0.00 C ATOM 845 CD GLN A 53 -2.462 1.737 -9.857 1.00 0.00 C ATOM 846 OE1 GLN A 53 -2.731 1.804 -11.055 1.00 0.00 O ATOM 847 NE2 GLN A 53 -2.132 0.600 -9.265 1.00 0.00 N ATOM 0 H GLN A 53 0.922 4.921 -8.582 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.756 5.650 -8.357 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.880 4.004 -9.946 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.378 2.951 -8.638 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.782 2.698 -7.972 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.238 3.668 -9.359 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.916 0.588 -8.268 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.094 -0.264 -9.806 1.00 0.00 H new ATOM 856 N ALA A 54 -0.691 3.685 -5.918 1.00 0.00 N ATOM 857 CA ALA A 54 -0.992 3.221 -4.567 1.00 0.00 C ATOM 858 C ALA A 54 -1.217 4.399 -3.621 1.00 0.00 C ATOM 859 O ALA A 54 -2.093 4.354 -2.754 1.00 0.00 O ATOM 860 CB ALA A 54 0.130 2.331 -4.051 1.00 0.00 C ATOM 0 H ALA A 54 0.206 3.364 -6.282 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.912 2.638 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.108 1.993 -3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.240 1.467 -4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.063 2.895 -4.033 1.00 0.00 H new ATOM 866 N LEU A 55 -0.430 5.452 -3.803 1.00 0.00 N ATOM 867 CA LEU A 55 -0.566 6.661 -3.001 1.00 0.00 C ATOM 868 C LEU A 55 -1.911 7.328 -3.261 1.00 0.00 C ATOM 869 O LEU A 55 -2.638 7.662 -2.327 1.00 0.00 O ATOM 870 CB LEU A 55 0.569 7.639 -3.315 1.00 0.00 C ATOM 871 CG LEU A 55 1.972 7.147 -2.959 1.00 0.00 C ATOM 872 CD1 LEU A 55 3.022 8.125 -3.458 1.00 0.00 C ATOM 873 CD2 LEU A 55 2.102 6.954 -1.457 1.00 0.00 C ATOM 0 H LEU A 55 0.312 5.493 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.512 6.381 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.542 7.871 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.382 8.571 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 55 2.134 6.186 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.014 7.759 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.945 8.220 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.861 9.099 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.107 6.604 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.920 7.902 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.372 6.218 -1.120 1.00 0.00 H new ATOM 885 N ARG A 56 -2.241 7.498 -4.538 1.00 0.00 N ATOM 886 CA ARG A 56 -3.491 8.139 -4.933 1.00 0.00 C ATOM 887 C ARG A 56 -4.697 7.351 -4.440 1.00 0.00 C ATOM 888 O ARG A 56 -5.669 7.932 -3.960 1.00 0.00 O ATOM 889 CB ARG A 56 -3.562 8.292 -6.452 1.00 0.00 C ATOM 890 CG ARG A 56 -2.557 9.279 -7.011 1.00 0.00 C ATOM 891 CD ARG A 56 -2.791 9.531 -8.491 1.00 0.00 C ATOM 892 NE ARG A 56 -2.780 8.295 -9.274 1.00 0.00 N ATOM 893 CZ ARG A 56 -1.850 8.002 -10.175 1.00 0.00 C ATOM 894 NH1 ARG A 56 -0.803 8.802 -10.329 1.00 0.00 N ATOM 895 NH2 ARG A 56 -1.960 6.902 -10.913 1.00 0.00 N ATOM 0 H ARG A 56 -1.658 7.199 -5.320 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.512 9.127 -4.472 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.398 7.319 -6.915 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.566 8.612 -6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.626 10.220 -6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.547 8.897 -6.861 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.749 10.034 -8.624 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.022 10.204 -8.869 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.529 7.620 -9.119 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.713 9.641 -9.756 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.088 8.578 -11.021 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.760 6.282 -10.788 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.245 6.678 -11.605 1.00 0.00 H new ATOM 909 N LEU A 57 -4.623 6.031 -4.554 1.00 0.00 N ATOM 910 CA LEU A 57 -5.699 5.158 -4.098 1.00 0.00 C ATOM 911 C LEU A 57 -6.003 5.397 -2.626 1.00 0.00 C ATOM 912 O LEU A 57 -7.155 5.604 -2.244 1.00 0.00 O ATOM 913 CB LEU A 57 -5.322 3.694 -4.311 1.00 0.00 C ATOM 914 CG LEU A 57 -5.151 3.275 -5.768 1.00 0.00 C ATOM 915 CD1 LEU A 57 -4.582 1.871 -5.845 1.00 0.00 C ATOM 916 CD2 LEU A 57 -6.479 3.353 -6.507 1.00 0.00 C ATOM 0 H LEU A 57 -3.827 5.539 -4.960 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.590 5.389 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.391 3.494 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.090 3.067 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.453 3.962 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.464 1.583 -6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.611 1.844 -5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.261 1.176 -5.351 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.336 3.050 -7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.200 2.688 -6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.853 4.376 -6.476 1.00 0.00 H new ATOM 928 N CYS A 58 -4.962 5.382 -1.806 1.00 0.00 N ATOM 929 CA CYS A 58 -5.117 5.586 -0.373 1.00 0.00 C ATOM 930 C CYS A 58 -5.557 7.018 -0.078 1.00 0.00 C ATOM 931 O CYS A 58 -6.434 7.254 0.755 1.00 0.00 O ATOM 932 CB CYS A 58 -3.803 5.281 0.344 1.00 0.00 C ATOM 933 SG CYS A 58 -3.131 3.641 -0.016 1.00 0.00 S ATOM 0 H CYS A 58 -4.000 5.230 -2.109 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.887 4.907 -0.008 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.066 6.034 0.065 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.959 5.371 1.419 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.686 3.613 -1.237 1.00 0.00 H new ATOM 939 N ARG A 59 -4.958 7.963 -0.788 1.00 0.00 N ATOM 940 CA ARG A 59 -5.249 9.381 -0.613 1.00 0.00 C ATOM 941 C ARG A 59 -6.715 9.682 -0.928 1.00 0.00 C ATOM 942 O ARG A 59 -7.399 10.365 -0.166 1.00 0.00 O ATOM 943 CB ARG A 59 -4.324 10.198 -1.517 1.00 0.00 C ATOM 944 CG ARG A 59 -4.497 11.704 -1.423 1.00 0.00 C ATOM 945 CD ARG A 59 -3.487 12.408 -2.312 1.00 0.00 C ATOM 946 NE ARG A 59 -3.664 13.858 -2.332 1.00 0.00 N ATOM 947 CZ ARG A 59 -3.040 14.665 -3.191 1.00 0.00 C ATOM 948 NH1 ARG A 59 -2.169 14.166 -4.064 1.00 0.00 N ATOM 949 NH2 ARG A 59 -3.277 15.969 -3.166 1.00 0.00 N ATOM 0 H ARG A 59 -4.256 7.770 -1.502 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.074 9.655 0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.291 9.951 -1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.489 9.893 -2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.508 11.980 -1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.370 12.028 -0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.480 12.174 -1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.573 12.022 -3.328 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.299 14.276 -1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.977 13.164 -4.077 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.693 14.785 -4.720 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.936 16.355 -2.490 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.800 16.587 -3.823 1.00 0.00 H new ATOM 963 N ALA A 60 -7.198 9.152 -2.044 1.00 0.00 N ATOM 964 CA ALA A 60 -8.570 9.392 -2.470 1.00 0.00 C ATOM 965 C ALA A 60 -9.558 8.553 -1.665 1.00 0.00 C ATOM 966 O ALA A 60 -10.731 8.907 -1.552 1.00 0.00 O ATOM 967 CB ALA A 60 -8.718 9.112 -3.956 1.00 0.00 C ATOM 0 H ALA A 60 -6.660 8.553 -2.670 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.800 10.441 -2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.749 9.296 -4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.052 9.767 -4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.460 8.072 -4.158 1.00 0.00 H new ATOM 973 N SER A 61 -9.088 7.445 -1.103 1.00 0.00 N ATOM 974 CA SER A 61 -9.938 6.591 -0.282 1.00 0.00 C ATOM 975 C SER A 61 -10.316 7.315 1.008 1.00 0.00 C ATOM 976 O SER A 61 -11.447 7.215 1.477 1.00 0.00 O ATOM 977 CB SER A 61 -9.230 5.270 0.033 1.00 0.00 C ATOM 978 OG SER A 61 -10.117 4.336 0.628 1.00 0.00 O ATOM 0 H SER A 61 -8.127 7.118 -1.200 1.00 0.00 H new ATOM 0 HA SER A 61 -10.848 6.366 -0.838 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.817 4.849 -0.884 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.391 5.456 0.704 1.00 0.00 H new ATOM 0 HG SER A 61 -10.976 4.355 0.157 1.00 0.00 H new ATOM 984 N LEU A 62 -9.366 8.063 1.558 1.00 0.00 N ATOM 985 CA LEU A 62 -9.606 8.857 2.759 1.00 0.00 C ATOM 986 C LEU A 62 -10.562 10.006 2.456 1.00 0.00 C ATOM 987 O LEU A 62 -11.287 10.478 3.328 1.00 0.00 O ATOM 988 CB LEU A 62 -8.284 9.407 3.298 1.00 0.00 C ATOM 989 CG LEU A 62 -7.256 8.347 3.693 1.00 0.00 C ATOM 990 CD1 LEU A 62 -5.924 8.998 4.024 1.00 0.00 C ATOM 991 CD2 LEU A 62 -7.756 7.530 4.878 1.00 0.00 C ATOM 0 H LEU A 62 -8.418 8.137 1.190 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.059 8.215 3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.842 10.056 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.494 10.029 4.168 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.114 7.675 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.203 8.230 4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.557 9.540 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.055 9.692 4.854 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.010 6.781 5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.927 8.190 5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.689 7.034 4.610 1.00 0.00 H new ATOM 1003 N MET A 63 -10.562 10.438 1.202 1.00 0.00 N ATOM 1004 CA MET A 63 -11.436 11.514 0.752 1.00 0.00 C ATOM 1005 C MET A 63 -12.850 10.983 0.500 1.00 0.00 C ATOM 1006 O MET A 63 -13.787 11.751 0.281 1.00 0.00 O ATOM 1007 CB MET A 63 -10.864 12.139 -0.525 1.00 0.00 C ATOM 1008 CG MET A 63 -11.649 13.334 -1.044 1.00 0.00 C ATOM 1009 SD MET A 63 -10.958 14.009 -2.567 1.00 0.00 S ATOM 1010 CE MET A 63 -9.326 14.500 -2.012 1.00 0.00 C ATOM 0 H MET A 63 -9.961 10.056 0.472 1.00 0.00 H new ATOM 0 HA MET A 63 -11.492 12.277 1.528 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.837 12.449 -0.335 1.00 0.00 H new ATOM 0 HB3 MET A 63 -10.828 11.377 -1.304 1.00 0.00 H new ATOM 0 HG2 MET A 63 -12.683 13.037 -1.219 1.00 0.00 H new ATOM 0 HG3 MET A 63 -11.666 14.112 -0.281 1.00 0.00 H new ATOM 0 HE1 MET A 63 -9.052 15.446 -2.479 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.330 14.618 -0.928 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.601 13.735 -2.291 1.00 0.00 H new ATOM 1020 N GLY A 64 -12.995 9.663 0.535 1.00 0.00 N ATOM 1021 CA GLY A 64 -14.289 9.053 0.296 1.00 0.00 C ATOM 1022 C GLY A 64 -14.548 8.819 -1.177 1.00 0.00 C ATOM 1023 O GLY A 64 -15.660 8.481 -1.578 1.00 0.00 O ATOM 0 H GLY A 64 -12.239 9.005 0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.345 8.103 0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -15.071 9.693 0.703 1.00 0.00 H new ATOM 1027 N ASP A 65 -13.515 8.996 -1.989 1.00 0.00 N ATOM 1028 CA ASP A 65 -13.638 8.807 -3.427 1.00 0.00 C ATOM 1029 C ASP A 65 -13.446 7.339 -3.783 1.00 0.00 C ATOM 1030 O ASP A 65 -14.249 6.751 -4.507 1.00 0.00 O ATOM 1031 CB ASP A 65 -12.618 9.671 -4.170 1.00 0.00 C ATOM 1032 CG ASP A 65 -12.744 9.553 -5.675 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -13.845 9.815 -6.203 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -11.743 9.210 -6.335 1.00 0.00 O ATOM 0 H ASP A 65 -12.583 9.270 -1.677 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.638 9.114 -3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.749 10.713 -3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.612 9.379 -3.869 1.00 0.00 H new ATOM 1039 N VAL A 66 -12.384 6.750 -3.255 1.00 0.00 N ATOM 1040 CA VAL A 66 -12.131 5.332 -3.444 1.00 0.00 C ATOM 1041 C VAL A 66 -12.822 4.536 -2.342 1.00 0.00 C ATOM 1042 O VAL A 66 -12.640 4.815 -1.158 1.00 0.00 O ATOM 1043 CB VAL A 66 -10.618 5.010 -3.452 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -10.377 3.521 -3.650 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -9.909 5.807 -4.535 1.00 0.00 C ATOM 0 H VAL A 66 -11.684 7.233 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 66 -12.534 5.050 -4.417 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.209 5.295 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.305 3.323 -3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.848 2.965 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.805 3.206 -4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.846 5.568 -4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.330 5.553 -5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.043 6.873 -4.349 1.00 0.00 H new ATOM 1055 N ALA A 67 -13.609 3.543 -2.743 1.00 0.00 N ATOM 1056 CA ALA A 67 -14.410 2.753 -1.808 1.00 0.00 C ATOM 1057 C ALA A 67 -13.570 1.751 -1.007 1.00 0.00 C ATOM 1058 O ALA A 67 -14.102 0.781 -0.470 1.00 0.00 O ATOM 1059 CB ALA A 67 -15.511 2.023 -2.564 1.00 0.00 C ATOM 0 H ALA A 67 -13.711 3.263 -3.718 1.00 0.00 H new ATOM 0 HA ALA A 67 -14.846 3.447 -1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.105 1.436 -1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -16.152 2.749 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -15.065 1.361 -3.306 1.00 0.00 H new ATOM 1065 N GLY A 68 -12.267 1.986 -0.924 1.00 0.00 N ATOM 1066 CA GLY A 68 -11.401 1.146 -0.113 1.00 0.00 C ATOM 1067 C GLY A 68 -11.071 -0.190 -0.759 1.00 0.00 C ATOM 1068 O GLY A 68 -9.897 -0.531 -0.920 1.00 0.00 O ATOM 0 H GLY A 68 -11.790 2.748 -1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.473 1.682 0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.880 0.966 0.849 1.00 0.00 H new ATOM 1072 N GLU A 69 -12.104 -0.942 -1.125 1.00 0.00 N ATOM 1073 CA GLU A 69 -11.941 -2.275 -1.704 1.00 0.00 C ATOM 1074 C GLU A 69 -11.056 -2.237 -2.948 1.00 0.00 C ATOM 1075 O GLU A 69 -10.119 -3.029 -3.081 1.00 0.00 O ATOM 1076 CB GLU A 69 -13.311 -2.857 -2.061 1.00 0.00 C ATOM 1077 CG GLU A 69 -14.287 -2.885 -0.894 1.00 0.00 C ATOM 1078 CD GLU A 69 -13.774 -3.697 0.276 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -13.792 -4.944 0.195 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -13.344 -3.096 1.283 1.00 0.00 O ATOM 0 H GLU A 69 -13.076 -0.648 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.455 -2.908 -0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.745 -2.271 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.178 -3.872 -2.436 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.483 -1.865 -0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.237 -3.300 -1.230 1.00 0.00 H new ATOM 1087 N ILE A 70 -11.350 -1.299 -3.841 1.00 0.00 N ATOM 1088 CA ILE A 70 -10.598 -1.146 -5.084 1.00 0.00 C ATOM 1089 C ILE A 70 -9.126 -0.860 -4.797 1.00 0.00 C ATOM 1090 O ILE A 70 -8.234 -1.369 -5.482 1.00 0.00 O ATOM 1091 CB ILE A 70 -11.179 -0.005 -5.950 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -12.670 -0.248 -6.209 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -10.418 0.114 -7.265 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -13.348 0.871 -6.972 1.00 0.00 C ATOM 0 H ILE A 70 -12.109 -0.628 -3.727 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.682 -2.085 -5.631 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.067 0.934 -5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -12.786 -1.177 -6.767 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.178 -0.384 -5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.843 0.923 -7.859 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.369 0.327 -7.060 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.497 -0.822 -7.817 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -14.400 0.627 -7.117 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -13.265 1.799 -6.407 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -12.867 0.993 -7.942 1.00 0.00 H new ATOM 1106 N ALA A 71 -8.880 -0.062 -3.766 1.00 0.00 N ATOM 1107 CA ALA A 71 -7.524 0.303 -3.386 1.00 0.00 C ATOM 1108 C ALA A 71 -6.747 -0.918 -2.912 1.00 0.00 C ATOM 1109 O ALA A 71 -5.566 -1.055 -3.206 1.00 0.00 O ATOM 1110 CB ALA A 71 -7.543 1.372 -2.304 1.00 0.00 C ATOM 0 H ALA A 71 -9.606 0.346 -3.177 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.022 0.707 -4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.520 1.633 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.056 2.258 -2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.066 0.992 -1.426 1.00 0.00 H new ATOM 1116 N ARG A 72 -7.428 -1.812 -2.201 1.00 0.00 N ATOM 1117 CA ARG A 72 -6.798 -3.017 -1.665 1.00 0.00 C ATOM 1118 C ARG A 72 -6.264 -3.896 -2.791 1.00 0.00 C ATOM 1119 O ARG A 72 -5.104 -4.314 -2.771 1.00 0.00 O ATOM 1120 CB ARG A 72 -7.804 -3.808 -0.829 1.00 0.00 C ATOM 1121 CG ARG A 72 -7.217 -5.044 -0.158 1.00 0.00 C ATOM 1122 CD ARG A 72 -8.290 -5.840 0.566 1.00 0.00 C ATOM 1123 NE ARG A 72 -9.061 -4.997 1.478 1.00 0.00 N ATOM 1124 CZ ARG A 72 -10.365 -4.756 1.339 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -11.070 -5.396 0.415 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -10.972 -3.891 2.142 1.00 0.00 N ATOM 0 H ARG A 72 -8.420 -1.725 -1.981 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.963 -2.713 -1.034 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.218 -3.153 -0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.632 -4.113 -1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.737 -5.674 -0.907 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.444 -4.744 0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.960 -6.296 -0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.826 -6.653 1.125 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.574 -4.569 2.265 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.615 -6.076 -0.193 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.067 -5.208 0.313 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.441 -3.409 2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.970 -3.708 2.034 1.00 0.00 H new ATOM 1140 N THR A 73 -7.117 -4.163 -3.771 1.00 0.00 N ATOM 1141 CA THR A 73 -6.756 -5.001 -4.903 1.00 0.00 C ATOM 1142 C THR A 73 -5.574 -4.414 -5.674 1.00 0.00 C ATOM 1143 O THR A 73 -4.594 -5.109 -5.956 1.00 0.00 O ATOM 1144 CB THR A 73 -7.957 -5.174 -5.850 1.00 0.00 C ATOM 1145 OG1 THR A 73 -9.096 -5.619 -5.100 1.00 0.00 O ATOM 1146 CG2 THR A 73 -7.645 -6.177 -6.954 1.00 0.00 C ATOM 0 H THR A 73 -8.072 -3.807 -3.803 1.00 0.00 H new ATOM 0 HA THR A 73 -6.463 -5.975 -4.511 1.00 0.00 H new ATOM 0 HB THR A 73 -8.172 -4.212 -6.315 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.862 -5.728 -5.702 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.511 -6.279 -7.608 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.792 -5.826 -7.534 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.409 -7.144 -6.511 1.00 0.00 H new ATOM 1154 N ALA A 74 -5.657 -3.127 -5.987 1.00 0.00 N ATOM 1155 CA ALA A 74 -4.623 -2.468 -6.772 1.00 0.00 C ATOM 1156 C ALA A 74 -3.349 -2.265 -5.955 1.00 0.00 C ATOM 1157 O ALA A 74 -2.255 -2.166 -6.512 1.00 0.00 O ATOM 1158 CB ALA A 74 -5.133 -1.146 -7.314 1.00 0.00 C ATOM 0 H ALA A 74 -6.429 -2.520 -5.709 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.374 -3.115 -7.613 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.348 -0.665 -7.899 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.001 -1.324 -7.949 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.416 -0.498 -6.485 1.00 0.00 H new ATOM 1164 N PHE A 75 -3.497 -2.205 -4.635 1.00 0.00 N ATOM 1165 CA PHE A 75 -2.352 -2.101 -3.738 1.00 0.00 C ATOM 1166 C PHE A 75 -1.509 -3.364 -3.836 1.00 0.00 C ATOM 1167 O PHE A 75 -0.294 -3.300 -4.028 1.00 0.00 O ATOM 1168 CB PHE A 75 -2.822 -1.885 -2.295 1.00 0.00 C ATOM 1169 CG PHE A 75 -1.707 -1.669 -1.311 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -1.087 -0.433 -1.207 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -1.282 -2.699 -0.486 1.00 0.00 C ATOM 1172 CE1 PHE A 75 -0.065 -0.230 -0.301 1.00 0.00 C ATOM 1173 CE2 PHE A 75 -0.260 -2.499 0.421 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.349 -1.264 0.514 1.00 0.00 C ATOM 0 H PHE A 75 -4.401 -2.227 -4.163 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.746 -1.244 -4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.489 -1.023 -2.267 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.406 -2.750 -1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.407 0.380 -1.842 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.755 -3.668 -0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.410 0.737 -0.230 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.063 -3.309 1.058 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.148 -1.107 1.223 1.00 0.00 H new ATOM 1184 N VAL A 76 -2.169 -4.515 -3.726 1.00 0.00 N ATOM 1185 CA VAL A 76 -1.496 -5.798 -3.859 1.00 0.00 C ATOM 1186 C VAL A 76 -0.882 -5.928 -5.250 1.00 0.00 C ATOM 1187 O VAL A 76 0.267 -6.348 -5.392 1.00 0.00 O ATOM 1188 CB VAL A 76 -2.459 -6.980 -3.599 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -1.765 -8.313 -3.845 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -3.000 -6.916 -2.178 1.00 0.00 C ATOM 0 H VAL A 76 -3.171 -4.582 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.708 -5.835 -3.107 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.293 -6.900 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.464 -9.128 -3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.425 -8.361 -4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.909 -8.406 -3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.677 -7.754 -2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.172 -6.969 -1.471 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.539 -5.979 -2.036 1.00 0.00 H new ATOM 1200 N ALA A 77 -1.643 -5.530 -6.265 1.00 0.00 N ATOM 1201 CA ALA A 77 -1.177 -5.574 -7.647 1.00 0.00 C ATOM 1202 C ALA A 77 0.106 -4.764 -7.829 1.00 0.00 C ATOM 1203 O ALA A 77 1.014 -5.174 -8.552 1.00 0.00 O ATOM 1204 CB ALA A 77 -2.263 -5.061 -8.582 1.00 0.00 C ATOM 0 H ALA A 77 -2.591 -5.171 -6.155 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.953 -6.612 -7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.905 -5.098 -9.611 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.152 -5.685 -8.484 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.511 -4.032 -8.321 1.00 0.00 H new ATOM 1210 N ALA A 78 0.181 -3.620 -7.163 1.00 0.00 N ATOM 1211 CA ALA A 78 1.358 -2.766 -7.246 1.00 0.00 C ATOM 1212 C ALA A 78 2.521 -3.356 -6.457 1.00 0.00 C ATOM 1213 O ALA A 78 3.668 -3.319 -6.902 1.00 0.00 O ATOM 1214 CB ALA A 78 1.033 -1.367 -6.744 1.00 0.00 C ATOM 0 H ALA A 78 -0.559 -3.262 -6.559 1.00 0.00 H new ATOM 0 HA ALA A 78 1.657 -2.704 -8.292 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.922 -0.740 -6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.238 -0.937 -7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.705 -1.420 -5.706 1.00 0.00 H new ATOM 1220 N SER A 79 2.221 -3.923 -5.293 1.00 0.00 N ATOM 1221 CA SER A 79 3.257 -4.486 -4.431 1.00 0.00 C ATOM 1222 C SER A 79 3.883 -5.745 -5.041 1.00 0.00 C ATOM 1223 O SER A 79 4.926 -6.213 -4.575 1.00 0.00 O ATOM 1224 CB SER A 79 2.694 -4.784 -3.037 1.00 0.00 C ATOM 1225 OG SER A 79 1.549 -5.617 -3.103 1.00 0.00 O ATOM 0 H SER A 79 1.273 -4.005 -4.925 1.00 0.00 H new ATOM 0 HA SER A 79 4.047 -3.741 -4.338 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.460 -5.266 -2.430 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.436 -3.848 -2.541 1.00 0.00 H new ATOM 0 HG SER A 79 1.355 -5.832 -4.039 1.00 0.00 H new ATOM 1231 N ARG A 80 3.255 -6.287 -6.087 1.00 0.00 N ATOM 1232 CA ARG A 80 3.797 -7.457 -6.776 1.00 0.00 C ATOM 1233 C ARG A 80 5.119 -7.106 -7.449 1.00 0.00 C ATOM 1234 O ARG A 80 6.028 -7.934 -7.523 1.00 0.00 O ATOM 1235 CB ARG A 80 2.818 -8.000 -7.828 1.00 0.00 C ATOM 1236 CG ARG A 80 1.469 -8.425 -7.267 1.00 0.00 C ATOM 1237 CD ARG A 80 0.701 -9.293 -8.254 1.00 0.00 C ATOM 1238 NE ARG A 80 -0.693 -9.483 -7.853 1.00 0.00 N ATOM 1239 CZ ARG A 80 -1.134 -10.469 -7.064 1.00 0.00 C ATOM 1240 NH1 ARG A 80 -0.293 -11.374 -6.567 1.00 0.00 N ATOM 1241 NH2 ARG A 80 -2.428 -10.544 -6.784 1.00 0.00 N ATOM 0 H ARG A 80 2.378 -5.937 -6.472 1.00 0.00 H new ATOM 0 HA ARG A 80 3.958 -8.232 -6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.658 -7.235 -8.588 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.276 -8.854 -8.327 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.617 -8.974 -6.337 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.880 -7.541 -7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.734 -8.833 -9.242 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.189 -10.264 -8.338 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.380 -8.814 -8.201 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.702 -11.321 -6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.643 -12.120 -5.967 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.074 -9.855 -7.169 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.777 -11.291 -6.184 1.00 0.00 H new ATOM 1255 N GLN A 81 5.224 -5.861 -7.906 1.00 0.00 N ATOM 1256 CA GLN A 81 6.420 -5.379 -8.588 1.00 0.00 C ATOM 1257 C GLN A 81 7.628 -5.424 -7.658 1.00 0.00 C ATOM 1258 O GLN A 81 8.726 -5.806 -8.063 1.00 0.00 O ATOM 1259 CB GLN A 81 6.189 -3.952 -9.092 1.00 0.00 C ATOM 1260 CG GLN A 81 7.369 -3.357 -9.843 1.00 0.00 C ATOM 1261 CD GLN A 81 7.060 -1.982 -10.402 1.00 0.00 C ATOM 1262 OE1 GLN A 81 5.912 -1.678 -10.726 1.00 0.00 O ATOM 1263 NE2 GLN A 81 8.077 -1.146 -10.531 1.00 0.00 N ATOM 0 H GLN A 81 4.487 -5.162 -7.814 1.00 0.00 H new ATOM 0 HA GLN A 81 6.623 -6.030 -9.439 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.317 -3.946 -9.746 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.954 -3.312 -8.242 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.227 -3.290 -9.174 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.652 -4.023 -10.658 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.014 -1.436 -10.251 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.924 -0.212 -10.911 1.00 0.00 H new ATOM 1272 N ALA A 82 7.414 -5.055 -6.403 1.00 0.00 N ATOM 1273 CA ALA A 82 8.483 -5.048 -5.415 1.00 0.00 C ATOM 1274 C ALA A 82 8.650 -6.427 -4.785 1.00 0.00 C ATOM 1275 O ALA A 82 9.597 -6.664 -4.038 1.00 0.00 O ATOM 1276 CB ALA A 82 8.200 -4.006 -4.344 1.00 0.00 C ATOM 0 H ALA A 82 6.507 -4.756 -6.044 1.00 0.00 H new ATOM 0 HA ALA A 82 9.415 -4.791 -5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.006 -4.010 -3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.133 -3.020 -4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.258 -4.240 -3.849 1.00 0.00 H new ATOM 1282 N HIS A 83 7.718 -7.331 -5.100 1.00 0.00 N ATOM 1283 CA HIS A 83 7.708 -8.688 -4.545 1.00 0.00 C ATOM 1284 C HIS A 83 7.565 -8.656 -3.025 1.00 0.00 C ATOM 1285 O HIS A 83 7.946 -9.596 -2.331 1.00 0.00 O ATOM 1286 CB HIS A 83 8.969 -9.467 -4.948 1.00 0.00 C ATOM 1287 CG HIS A 83 9.016 -9.842 -6.400 1.00 0.00 C ATOM 1288 ND1 HIS A 83 8.722 -11.107 -6.863 1.00 0.00 N ATOM 1289 CD2 HIS A 83 9.331 -9.110 -7.496 1.00 0.00 C ATOM 1290 CE1 HIS A 83 8.856 -11.135 -8.176 1.00 0.00 C ATOM 1291 NE2 HIS A 83 9.224 -9.937 -8.584 1.00 0.00 N ATOM 0 H HIS A 83 6.951 -7.144 -5.745 1.00 0.00 H new ATOM 0 HA HIS A 83 6.844 -9.205 -4.962 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.847 -8.866 -4.710 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.031 -10.374 -4.347 1.00 0.00 H new ATOM 0 HD2 HIS A 83 9.614 -8.068 -7.510 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.692 -11.995 -8.809 1.00 0.00 H new ATOM 0 HE2 HIS A 83 9.401 -9.669 -9.552 1.00 0.00 H new ATOM 1300 N CYS A 84 6.960 -7.585 -2.523 1.00 0.00 N ATOM 1301 CA CYS A 84 6.768 -7.393 -1.088 1.00 0.00 C ATOM 1302 C CYS A 84 5.441 -8.025 -0.659 1.00 0.00 C ATOM 1303 O CYS A 84 4.835 -7.644 0.344 1.00 0.00 O ATOM 1304 CB CYS A 84 6.781 -5.891 -0.781 1.00 0.00 C ATOM 1305 SG CYS A 84 7.042 -5.470 0.957 1.00 0.00 S ATOM 0 H CYS A 84 6.590 -6.827 -3.096 1.00 0.00 H new ATOM 0 HA CYS A 84 7.572 -7.875 -0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 84 7.565 -5.421 -1.375 1.00 0.00 H new ATOM 0 HB3 CYS A 84 5.833 -5.461 -1.105 1.00 0.00 H new ATOM 0 HG CYS A 84 7.647 -6.453 1.556 1.00 0.00 H new ATOM 1311 N LEU A 85 5.022 -9.022 -1.429 1.00 0.00 N ATOM 1312 CA LEU A 85 3.728 -9.662 -1.250 1.00 0.00 C ATOM 1313 C LEU A 85 3.721 -10.609 -0.062 1.00 0.00 C ATOM 1314 O LEU A 85 4.758 -11.141 0.340 1.00 0.00 O ATOM 1315 CB LEU A 85 3.365 -10.465 -2.500 1.00 0.00 C ATOM 1316 CG LEU A 85 3.211 -9.661 -3.786 1.00 0.00 C ATOM 1317 CD1 LEU A 85 3.052 -10.600 -4.970 1.00 0.00 C ATOM 1318 CD2 LEU A 85 2.017 -8.730 -3.684 1.00 0.00 C ATOM 0 H LEU A 85 5.572 -9.409 -2.196 1.00 0.00 H new ATOM 0 HA LEU A 85 3.002 -8.868 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.133 -11.222 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.431 -10.993 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 85 4.107 -9.058 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.943 -10.017 -5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.932 -11.238 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.167 -11.220 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.919 -8.162 -4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.112 -9.315 -3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.161 -8.043 -2.850 1.00 0.00 H new ATOM 1330 N MET A 86 2.540 -10.810 0.492 1.00 0.00 N ATOM 1331 CA MET A 86 2.304 -11.886 1.435 1.00 0.00 C ATOM 1332 C MET A 86 1.182 -12.734 0.867 1.00 0.00 C ATOM 1333 O MET A 86 0.009 -12.400 1.015 1.00 0.00 O ATOM 1334 CB MET A 86 1.929 -11.344 2.819 1.00 0.00 C ATOM 1335 CG MET A 86 2.186 -12.322 3.961 1.00 0.00 C ATOM 1336 SD MET A 86 1.161 -13.807 3.887 1.00 0.00 S ATOM 1337 CE MET A 86 -0.470 -13.118 4.167 1.00 0.00 C ATOM 0 H MET A 86 1.720 -10.234 0.302 1.00 0.00 H new ATOM 0 HA MET A 86 3.210 -12.477 1.569 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.493 -10.430 3.004 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.873 -11.073 2.818 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.236 -12.615 3.948 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.008 -11.815 4.909 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.102 -13.864 4.649 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.389 -12.241 4.809 1.00 0.00 H new ATOM 0 HE3 MET A 86 -0.912 -12.830 3.213 1.00 0.00 H new ATOM 1347 N GLU A 87 1.548 -13.799 0.168 1.00 0.00 N ATOM 1348 CA GLU A 87 0.578 -14.578 -0.588 1.00 0.00 C ATOM 1349 C GLU A 87 1.150 -15.940 -0.955 1.00 0.00 C ATOM 1350 O GLU A 87 0.631 -16.980 -0.547 1.00 0.00 O ATOM 1351 CB GLU A 87 0.176 -13.801 -1.847 1.00 0.00 C ATOM 1352 CG GLU A 87 -0.827 -14.513 -2.732 1.00 0.00 C ATOM 1353 CD GLU A 87 -1.427 -13.585 -3.766 1.00 0.00 C ATOM 1354 OE1 GLU A 87 -0.791 -13.354 -4.815 1.00 0.00 O ATOM 1355 OE2 GLU A 87 -2.542 -13.080 -3.529 1.00 0.00 O ATOM 0 H GLU A 87 2.507 -14.143 0.109 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.306 -14.745 0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.241 -12.840 -1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.072 -13.592 -2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.339 -15.349 -3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.622 -14.932 -2.115 1.00 0.00 H new ATOM 1362 N ASP A 88 2.216 -15.929 -1.728 1.00 0.00 N ATOM 1363 CA ASP A 88 2.912 -17.157 -2.084 1.00 0.00 C ATOM 1364 C ASP A 88 4.107 -17.361 -1.173 1.00 0.00 C ATOM 1365 O ASP A 88 4.796 -16.404 -0.817 1.00 0.00 O ATOM 1366 CB ASP A 88 3.367 -17.139 -3.546 1.00 0.00 C ATOM 1367 CG ASP A 88 4.256 -18.327 -3.888 1.00 0.00 C ATOM 1368 OD1 ASP A 88 3.830 -19.480 -3.665 1.00 0.00 O ATOM 1369 OD2 ASP A 88 5.390 -18.111 -4.357 1.00 0.00 O ATOM 0 H ASP A 88 2.624 -15.082 -2.125 1.00 0.00 H new ATOM 0 HA ASP A 88 2.215 -17.985 -1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.493 -17.143 -4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.908 -16.214 -3.745 1.00 0.00 H new ATOM 1374 N LYS A 89 4.330 -18.603 -0.781 1.00 0.00 N ATOM 1375 CA LYS A 89 5.456 -18.945 0.066 1.00 0.00 C ATOM 1376 C LYS A 89 6.744 -18.922 -0.748 1.00 0.00 C ATOM 1377 O LYS A 89 7.706 -18.241 -0.383 1.00 0.00 O ATOM 1378 CB LYS A 89 5.232 -20.323 0.692 1.00 0.00 C ATOM 1379 CG LYS A 89 3.988 -20.389 1.564 1.00 0.00 C ATOM 1380 CD LYS A 89 3.590 -21.821 1.861 1.00 0.00 C ATOM 1381 CE LYS A 89 2.361 -21.883 2.753 1.00 0.00 C ATOM 1382 NZ LYS A 89 1.822 -23.263 2.856 1.00 0.00 N ATOM 0 H LYS A 89 3.741 -19.395 -1.038 1.00 0.00 H new ATOM 0 HA LYS A 89 5.544 -18.211 0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.152 -21.067 -0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.103 -20.589 1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.170 -19.860 2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.165 -19.878 1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.390 -22.346 0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.419 -22.337 2.345 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.615 -21.517 3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.591 -21.221 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.985 -23.263 3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.556 -23.603 1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.548 -23.890 3.258 1.00 0.00 H new ATOM 1396 N ALA A 90 6.731 -19.653 -1.863 1.00 0.00 N ATOM 1397 CA ALA A 90 7.869 -19.739 -2.778 1.00 0.00 C ATOM 1398 C ALA A 90 7.570 -20.759 -3.867 1.00 0.00 C ATOM 1399 O ALA A 90 8.482 -21.326 -4.468 1.00 0.00 O ATOM 1400 CB ALA A 90 9.136 -20.151 -2.034 1.00 0.00 C ATOM 0 H ALA A 90 5.926 -20.205 -2.158 1.00 0.00 H new ATOM 0 HA ALA A 90 8.030 -18.756 -3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.968 -20.208 -2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.361 -19.414 -1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.985 -21.126 -1.571 1.00 0.00 H new ATOM 1406 N GLU A 91 6.290 -20.975 -4.140 1.00 0.00 N ATOM 1407 CA GLU A 91 5.872 -22.100 -4.963 1.00 0.00 C ATOM 1408 C GLU A 91 4.964 -21.652 -6.096 1.00 0.00 C ATOM 1409 O GLU A 91 4.130 -22.421 -6.585 1.00 0.00 O ATOM 1410 CB GLU A 91 5.168 -23.139 -4.088 1.00 0.00 C ATOM 1411 CG GLU A 91 6.024 -23.619 -2.928 1.00 0.00 C ATOM 1412 CD GLU A 91 5.283 -24.554 -2.003 1.00 0.00 C ATOM 1413 OE1 GLU A 91 4.637 -24.066 -1.052 1.00 0.00 O ATOM 1414 OE2 GLU A 91 5.346 -25.780 -2.219 1.00 0.00 O ATOM 0 H GLU A 91 5.526 -20.388 -3.805 1.00 0.00 H new ATOM 0 HA GLU A 91 6.758 -22.547 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.245 -22.711 -3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.888 -23.994 -4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.907 -24.125 -3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.376 -22.757 -2.361 1.00 0.00 H new ATOM 1421 N ALA A 92 5.137 -20.414 -6.519 1.00 0.00 N ATOM 1422 CA ALA A 92 4.401 -19.889 -7.658 1.00 0.00 C ATOM 1423 C ALA A 92 4.934 -20.493 -8.954 1.00 0.00 C ATOM 1424 O ALA A 92 6.079 -20.253 -9.333 1.00 0.00 O ATOM 1425 CB ALA A 92 4.497 -18.371 -7.701 1.00 0.00 C ATOM 0 H ALA A 92 5.782 -19.750 -6.091 1.00 0.00 H new ATOM 0 HA ALA A 92 3.352 -20.164 -7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.940 -17.995 -8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.077 -17.954 -6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.542 -18.075 -7.788 1.00 0.00 H new ATOM 1431 N PRO A 93 4.102 -21.278 -9.662 1.00 0.00 N ATOM 1432 CA PRO A 93 4.521 -21.987 -10.878 1.00 0.00 C ATOM 1433 C PRO A 93 4.633 -21.064 -12.089 1.00 0.00 C ATOM 1434 O PRO A 93 4.769 -21.522 -13.226 1.00 0.00 O ATOM 1435 CB PRO A 93 3.406 -23.009 -11.086 1.00 0.00 C ATOM 1436 CG PRO A 93 2.197 -22.374 -10.487 1.00 0.00 C ATOM 1437 CD PRO A 93 2.685 -21.532 -9.337 1.00 0.00 C ATOM 0 HA PRO A 93 5.513 -22.427 -10.771 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.258 -23.224 -12.144 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.640 -23.955 -10.598 1.00 0.00 H new ATOM 0 HG2 PRO A 93 1.675 -21.762 -11.222 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.491 -23.130 -10.143 1.00 0.00 H new ATOM 0 HD2 PRO A 93 2.121 -20.603 -9.254 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.580 -22.054 -8.386 1.00 0.00 H new ATOM 1445 N ASN A 94 4.583 -19.767 -11.835 1.00 0.00 N ATOM 1446 CA ASN A 94 4.677 -18.777 -12.894 1.00 0.00 C ATOM 1447 C ASN A 94 6.135 -18.539 -13.261 1.00 0.00 C ATOM 1448 O ASN A 94 6.494 -18.474 -14.437 1.00 0.00 O ATOM 1449 CB ASN A 94 4.030 -17.464 -12.452 1.00 0.00 C ATOM 1450 CG ASN A 94 3.769 -16.528 -13.615 1.00 0.00 C ATOM 1451 OD1 ASN A 94 4.612 -15.707 -13.975 1.00 0.00 O ATOM 1452 ND2 ASN A 94 2.591 -16.649 -14.202 1.00 0.00 N ATOM 0 H ASN A 94 4.477 -19.374 -10.900 1.00 0.00 H new ATOM 0 HA ASN A 94 4.147 -19.153 -13.769 1.00 0.00 H new ATOM 0 HB2 ASN A 94 3.090 -17.678 -11.944 1.00 0.00 H new ATOM 0 HB3 ASN A 94 4.678 -16.968 -11.729 1.00 0.00 H new ATOM 0 HD21 ASN A 94 2.349 -16.047 -14.989 1.00 0.00 H new ATOM 0 HD22 ASN A 94 1.924 -17.345 -13.868 1.00 0.00 H new ATOM 1459 N THR A 95 6.974 -18.421 -12.239 1.00 0.00 N ATOM 1460 CA THR A 95 8.394 -18.203 -12.438 1.00 0.00 C ATOM 1461 C THR A 95 9.201 -19.321 -11.791 1.00 0.00 C ATOM 1462 O THR A 95 9.205 -19.474 -10.570 1.00 0.00 O ATOM 1463 CB THR A 95 8.842 -16.847 -11.860 1.00 0.00 C ATOM 1464 OG1 THR A 95 8.424 -16.733 -10.492 1.00 0.00 O ATOM 1465 CG2 THR A 95 8.269 -15.693 -12.667 1.00 0.00 C ATOM 0 H THR A 95 6.690 -18.474 -11.261 1.00 0.00 H new ATOM 0 HA THR A 95 8.576 -18.198 -13.513 1.00 0.00 H new ATOM 0 HB THR A 95 9.930 -16.800 -11.914 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.489 -17.608 -10.056 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.601 -14.748 -12.237 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.614 -15.764 -13.698 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.180 -15.739 -12.645 1.00 0.00 H new ATOM 1473 N ILE A 96 9.876 -20.099 -12.617 1.00 0.00 N ATOM 1474 CA ILE A 96 10.671 -21.223 -12.143 1.00 0.00 C ATOM 1475 C ILE A 96 12.097 -21.096 -12.670 1.00 0.00 C ATOM 1476 O ILE A 96 12.302 -20.599 -13.778 1.00 0.00 O ATOM 1477 CB ILE A 96 10.066 -22.574 -12.602 1.00 0.00 C ATOM 1478 CG1 ILE A 96 8.591 -22.670 -12.192 1.00 0.00 C ATOM 1479 CG2 ILE A 96 10.853 -23.742 -12.019 1.00 0.00 C ATOM 1480 CD1 ILE A 96 7.897 -23.922 -12.687 1.00 0.00 C ATOM 0 H ILE A 96 9.891 -19.973 -13.629 1.00 0.00 H new ATOM 0 HA ILE A 96 10.673 -21.204 -11.053 1.00 0.00 H new ATOM 0 HB ILE A 96 10.129 -22.623 -13.689 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.523 -22.634 -11.105 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.060 -21.797 -12.573 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.412 -24.681 -12.353 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.888 -23.687 -12.356 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.822 -23.694 -10.930 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.858 -23.917 -12.357 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.931 -23.951 -13.776 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.401 -24.801 -12.285 1.00 0.00 H new ATOM 1492 N ALA A 97 13.075 -21.523 -11.871 1.00 0.00 N ATOM 1493 CA ALA A 97 14.477 -21.499 -12.283 1.00 0.00 C ATOM 1494 C ALA A 97 14.658 -22.207 -13.621 1.00 0.00 C ATOM 1495 O ALA A 97 15.430 -21.765 -14.472 1.00 0.00 O ATOM 1496 CB ALA A 97 15.352 -22.140 -11.221 1.00 0.00 C ATOM 0 H ALA A 97 12.920 -21.891 -10.932 1.00 0.00 H new ATOM 0 HA ALA A 97 14.781 -20.459 -12.403 1.00 0.00 H new ATOM 0 HB1 ALA A 97 16.393 -22.114 -11.543 1.00 0.00 H new ATOM 0 HB2 ALA A 97 15.248 -21.592 -10.285 1.00 0.00 H new ATOM 0 HB3 ALA A 97 15.044 -23.175 -11.072 1.00 0.00 H new ATOM 1502 N SER A 98 13.943 -23.308 -13.795 1.00 0.00 N ATOM 1503 CA SER A 98 13.902 -24.000 -15.069 1.00 0.00 C ATOM 1504 C SER A 98 12.786 -23.407 -15.925 1.00 0.00 C ATOM 1505 O SER A 98 11.605 -23.630 -15.658 1.00 0.00 O ATOM 1506 CB SER A 98 13.677 -25.496 -14.842 1.00 0.00 C ATOM 1507 OG SER A 98 14.601 -26.004 -13.890 1.00 0.00 O ATOM 0 H SER A 98 13.381 -23.742 -13.063 1.00 0.00 H new ATOM 0 HA SER A 98 14.851 -23.875 -15.590 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.658 -25.667 -14.494 1.00 0.00 H new ATOM 0 HB3 SER A 98 13.786 -26.032 -15.785 1.00 0.00 H new ATOM 0 HG SER A 98 14.440 -26.962 -13.757 1.00 0.00 H new ATOM 1513 N GLY A 99 13.171 -22.629 -16.930 1.00 0.00 N ATOM 1514 CA GLY A 99 12.207 -21.880 -17.717 1.00 0.00 C ATOM 1515 C GLY A 99 11.277 -22.752 -18.538 1.00 0.00 C ATOM 1516 O GLY A 99 10.071 -22.503 -18.589 1.00 0.00 O ATOM 0 H GLY A 99 14.142 -22.503 -17.216 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.611 -21.258 -17.049 1.00 0.00 H new ATOM 0 HA3 GLY A 99 12.743 -21.206 -18.386 1.00 0.00 H new ATOM 1520 N SER A 100 11.827 -23.763 -19.193 1.00 0.00 N ATOM 1521 CA SER A 100 11.038 -24.624 -20.062 1.00 0.00 C ATOM 1522 C SER A 100 11.651 -26.018 -20.123 1.00 0.00 C ATOM 1523 O SER A 100 11.069 -26.954 -19.541 1.00 0.00 O ATOM 1524 CB SER A 100 10.950 -24.022 -21.466 1.00 0.00 C ATOM 1525 OG SER A 100 10.510 -22.672 -21.417 1.00 0.00 O ATOM 1526 OXT SER A 100 12.738 -26.166 -20.724 1.00 0.00 O ATOM 0 H SER A 100 12.816 -24.008 -19.140 1.00 0.00 H new ATOM 0 HA SER A 100 10.031 -24.704 -19.652 1.00 0.00 H new ATOM 0 HB2 SER A 100 11.926 -24.072 -21.948 1.00 0.00 H new ATOM 0 HB3 SER A 100 10.263 -24.610 -22.075 1.00 0.00 H new ATOM 0 HG SER A 100 10.464 -22.310 -22.326 1.00 0.00 H new TER 1532 SER A 100