USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 758 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 GLY N :NH3+ -110:sc= 0.0588 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 158:sc= -2.52 (180deg=-2.78) USER MOD Single : A 15 LYS NZ :NH3+ -141:sc= -4.09! (180deg=-5.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -39:sc= 0.103 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.09! C(o=-3.1!,f=-3.2!) USER MOD Single : A 31 LYS NZ :NH3+ -120:sc=-0.000263 (180deg=-0.291) USER MOD Single : A 33 THR OG1 : rot 154:sc= 0.298 USER MOD Single : A 35 GLN : amide:sc= -3.04! C(o=-3!,f=-7.1!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.016 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 43 ASN : amide:sc= -1.93 X(o=-1.9,f=-2.2) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0.378 K(o=0.38,f=-1.8!) USER MOD Single : A 60 CYS SG : rot -38:sc= 0.3 USER MOD Single : A 61 THR OG1 : rot 70:sc= 0.483 USER MOD Single : A 63 ASN : amide:sc= -2.04! X(o=-2!,f=-2.5) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -7.92! C(o=-7.9!,f=-8!) USER MOD Single : A 67 LYS NZ :NH3+ -164:sc=-0.00743 (180deg=-0.122) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0.0022) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.116 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 164:sc= -0.0692 (180deg=-0.407) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.876 -7.141 16.155 1.00 0.00 N ATOM 2 CA GLY A 1 -3.922 -8.590 16.213 1.00 0.00 C ATOM 3 C GLY A 1 -3.205 -9.240 15.046 1.00 0.00 C ATOM 4 O GLY A 1 -2.874 -8.575 14.065 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.257 -6.783 16.910 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.503 -6.842 15.231 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.835 -6.758 16.282 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.471 -8.928 17.146 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.962 -8.917 16.225 1.00 0.00 H new ATOM 8 N SER A 2 -2.964 -10.543 15.153 1.00 0.00 N ATOM 9 CA SER A 2 -2.277 -11.282 14.100 1.00 0.00 C ATOM 10 C SER A 2 -3.261 -11.742 13.029 1.00 0.00 C ATOM 11 O SER A 2 -3.250 -12.902 12.617 1.00 0.00 O ATOM 12 CB SER A 2 -1.546 -12.489 14.690 1.00 0.00 C ATOM 13 OG SER A 2 -0.653 -12.094 15.717 1.00 0.00 O ATOM 0 H SER A 2 -3.234 -11.108 15.958 1.00 0.00 H new ATOM 0 HA SER A 2 -1.549 -10.616 13.637 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.272 -13.198 15.088 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.995 -13.004 13.903 1.00 0.00 H new ATOM 0 HG SER A 2 -0.200 -12.884 16.078 1.00 0.00 H new ATOM 19 N SER A 3 -4.111 -10.823 12.581 1.00 0.00 N ATOM 20 CA SER A 3 -5.105 -11.134 11.560 1.00 0.00 C ATOM 21 C SER A 3 -4.458 -11.217 10.181 1.00 0.00 C ATOM 22 O SER A 3 -4.432 -10.238 9.436 1.00 0.00 O ATOM 23 CB SER A 3 -6.210 -10.076 11.555 1.00 0.00 C ATOM 24 OG SER A 3 -6.752 -9.899 12.853 1.00 0.00 O ATOM 0 H SER A 3 -4.131 -9.857 12.909 1.00 0.00 H new ATOM 0 HA SER A 3 -5.542 -12.104 11.796 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.810 -9.129 11.192 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.000 -10.373 10.865 1.00 0.00 H new ATOM 0 HG SER A 3 -7.455 -9.217 12.824 1.00 0.00 H new ATOM 30 N GLY A 4 -3.938 -12.394 9.848 1.00 0.00 N ATOM 31 CA GLY A 4 -3.298 -12.585 8.559 1.00 0.00 C ATOM 32 C GLY A 4 -2.966 -14.038 8.286 1.00 0.00 C ATOM 33 O GLY A 4 -3.074 -14.884 9.174 1.00 0.00 O ATOM 0 H GLY A 4 -3.948 -13.219 10.448 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.954 -12.211 7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.384 -11.993 8.520 1.00 0.00 H new ATOM 37 N SER A 5 -2.563 -14.330 7.054 1.00 0.00 N ATOM 38 CA SER A 5 -2.219 -15.692 6.664 1.00 0.00 C ATOM 39 C SER A 5 -0.884 -15.727 5.927 1.00 0.00 C ATOM 40 O SER A 5 -0.838 -15.657 4.699 1.00 0.00 O ATOM 41 CB SER A 5 -3.318 -16.285 5.779 1.00 0.00 C ATOM 42 OG SER A 5 -4.430 -16.696 6.555 1.00 0.00 O ATOM 0 H SER A 5 -2.467 -13.641 6.308 1.00 0.00 H new ATOM 0 HA SER A 5 -2.129 -16.290 7.571 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.636 -15.545 5.044 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.923 -17.136 5.224 1.00 0.00 H new ATOM 0 HG SER A 5 -5.119 -17.070 5.967 1.00 0.00 H new ATOM 48 N SER A 6 0.202 -15.834 6.687 1.00 0.00 N ATOM 49 CA SER A 6 1.539 -15.874 6.108 1.00 0.00 C ATOM 50 C SER A 6 1.749 -17.158 5.311 1.00 0.00 C ATOM 51 O SER A 6 1.550 -18.259 5.824 1.00 0.00 O ATOM 52 CB SER A 6 2.597 -15.764 7.207 1.00 0.00 C ATOM 53 OG SER A 6 2.578 -14.480 7.807 1.00 0.00 O ATOM 0 H SER A 6 0.181 -15.894 7.705 1.00 0.00 H new ATOM 0 HA SER A 6 1.639 -15.026 5.430 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.418 -16.526 7.966 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.584 -15.958 6.787 1.00 0.00 H new ATOM 0 HG SER A 6 3.262 -14.436 8.507 1.00 0.00 H new ATOM 59 N GLY A 7 2.151 -17.008 4.053 1.00 0.00 N ATOM 60 CA GLY A 7 2.381 -18.163 3.205 1.00 0.00 C ATOM 61 C GLY A 7 3.251 -17.839 2.007 1.00 0.00 C ATOM 62 O GLY A 7 4.336 -18.399 1.848 1.00 0.00 O ATOM 0 H GLY A 7 2.322 -16.107 3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.854 -18.951 3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.423 -18.553 2.860 1.00 0.00 H new ATOM 66 N LYS A 8 2.775 -16.933 1.160 1.00 0.00 N ATOM 67 CA LYS A 8 3.516 -16.534 -0.031 1.00 0.00 C ATOM 68 C LYS A 8 4.551 -15.465 0.305 1.00 0.00 C ATOM 69 O LYS A 8 4.223 -14.285 0.421 1.00 0.00 O ATOM 70 CB LYS A 8 2.556 -16.011 -1.102 1.00 0.00 C ATOM 71 CG LYS A 8 1.872 -17.110 -1.896 1.00 0.00 C ATOM 72 CD LYS A 8 1.149 -16.554 -3.111 1.00 0.00 C ATOM 73 CE LYS A 8 0.144 -17.552 -3.666 1.00 0.00 C ATOM 74 NZ LYS A 8 0.808 -18.630 -4.450 1.00 0.00 N ATOM 0 H LYS A 8 1.878 -16.461 1.276 1.00 0.00 H new ATOM 0 HA LYS A 8 4.037 -17.411 -0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.796 -15.392 -0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.107 -15.368 -1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.612 -17.843 -2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.161 -17.633 -1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.636 -15.632 -2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.875 -16.300 -3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.420 -17.995 -2.845 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.573 -17.031 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.090 -19.290 -4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.325 -18.210 -5.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.474 -19.144 -3.838 1.00 0.00 H new ATOM 88 N ALA A 9 5.802 -15.887 0.458 1.00 0.00 N ATOM 89 CA ALA A 9 6.885 -14.966 0.776 1.00 0.00 C ATOM 90 C ALA A 9 6.687 -13.623 0.080 1.00 0.00 C ATOM 91 O ALA A 9 6.816 -12.567 0.699 1.00 0.00 O ATOM 92 CB ALA A 9 8.226 -15.572 0.386 1.00 0.00 C ATOM 0 H ALA A 9 6.090 -16.861 0.367 1.00 0.00 H new ATOM 0 HA ALA A 9 6.876 -14.793 1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.026 -14.873 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.378 -16.502 0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.236 -15.776 -0.685 1.00 0.00 H new ATOM 98 N PHE A 10 6.373 -13.672 -1.210 1.00 0.00 N ATOM 99 CA PHE A 10 6.159 -12.459 -1.991 1.00 0.00 C ATOM 100 C PHE A 10 5.511 -11.371 -1.139 1.00 0.00 C ATOM 101 O PHE A 10 5.942 -10.217 -1.152 1.00 0.00 O ATOM 102 CB PHE A 10 5.282 -12.759 -3.208 1.00 0.00 C ATOM 103 CG PHE A 10 5.290 -11.665 -4.237 1.00 0.00 C ATOM 104 CD1 PHE A 10 4.410 -10.599 -4.140 1.00 0.00 C ATOM 105 CD2 PHE A 10 6.176 -11.703 -5.301 1.00 0.00 C ATOM 106 CE1 PHE A 10 4.415 -9.590 -5.085 1.00 0.00 C ATOM 107 CE2 PHE A 10 6.186 -10.697 -6.249 1.00 0.00 C ATOM 108 CZ PHE A 10 5.303 -9.640 -6.141 1.00 0.00 C ATOM 0 H PHE A 10 6.261 -14.538 -1.737 1.00 0.00 H new ATOM 0 HA PHE A 10 7.130 -12.100 -2.331 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.622 -13.685 -3.671 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.258 -12.926 -2.875 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.712 -10.556 -3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.867 -12.528 -5.391 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.725 -8.764 -4.997 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.883 -10.737 -7.073 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.307 -8.854 -6.882 1.00 0.00 H new ATOM 118 N LEU A 11 4.474 -11.747 -0.399 1.00 0.00 N ATOM 119 CA LEU A 11 3.765 -10.805 0.460 1.00 0.00 C ATOM 120 C LEU A 11 4.505 -10.607 1.779 1.00 0.00 C ATOM 121 O LEU A 11 4.783 -9.478 2.182 1.00 0.00 O ATOM 122 CB LEU A 11 2.343 -11.299 0.728 1.00 0.00 C ATOM 123 CG LEU A 11 1.316 -11.020 -0.370 1.00 0.00 C ATOM 124 CD1 LEU A 11 0.014 -11.752 -0.082 1.00 0.00 C ATOM 125 CD2 LEU A 11 1.070 -9.524 -0.502 1.00 0.00 C ATOM 0 H LEU A 11 4.105 -12.698 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 11 3.718 -9.846 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.380 -12.375 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.990 -10.842 1.652 1.00 0.00 H new ATOM 0 HG LEU A 11 1.715 -11.388 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.705 -11.541 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.202 -12.825 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.389 -11.415 0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.337 -9.344 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.693 -9.132 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.004 -9.023 -0.756 1.00 0.00 H new ATOM 137 N GLU A 12 4.821 -11.713 2.445 1.00 0.00 N ATOM 138 CA GLU A 12 5.530 -11.660 3.718 1.00 0.00 C ATOM 139 C GLU A 12 6.593 -10.565 3.705 1.00 0.00 C ATOM 140 O GLU A 12 6.655 -9.734 4.611 1.00 0.00 O ATOM 141 CB GLU A 12 6.180 -13.012 4.022 1.00 0.00 C ATOM 142 CG GLU A 12 5.196 -14.170 4.040 1.00 0.00 C ATOM 143 CD GLU A 12 5.860 -15.495 4.357 1.00 0.00 C ATOM 144 OE1 GLU A 12 7.008 -15.706 3.912 1.00 0.00 O ATOM 145 OE2 GLU A 12 5.232 -16.323 5.050 1.00 0.00 O ATOM 0 H GLU A 12 4.598 -12.655 2.125 1.00 0.00 H new ATOM 0 HA GLU A 12 4.805 -11.429 4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.949 -13.212 3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.680 -12.956 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.420 -13.971 4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.703 -14.238 3.070 1.00 0.00 H new ATOM 152 N ASP A 13 7.427 -10.571 2.671 1.00 0.00 N ATOM 153 CA ASP A 13 8.487 -9.578 2.537 1.00 0.00 C ATOM 154 C ASP A 13 7.905 -8.197 2.253 1.00 0.00 C ATOM 155 O ASP A 13 8.240 -7.222 2.925 1.00 0.00 O ATOM 156 CB ASP A 13 9.452 -9.979 1.420 1.00 0.00 C ATOM 157 CG ASP A 13 10.668 -9.076 1.356 1.00 0.00 C ATOM 158 OD1 ASP A 13 11.197 -8.716 2.428 1.00 0.00 O ATOM 159 OD2 ASP A 13 11.092 -8.732 0.233 1.00 0.00 O ATOM 0 H ASP A 13 7.390 -11.253 1.913 1.00 0.00 H new ATOM 0 HA ASP A 13 9.033 -9.535 3.480 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.775 -11.009 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.930 -9.949 0.464 1.00 0.00 H new ATOM 164 N MET A 14 7.033 -8.122 1.253 1.00 0.00 N ATOM 165 CA MET A 14 6.405 -6.860 0.881 1.00 0.00 C ATOM 166 C MET A 14 6.010 -6.063 2.120 1.00 0.00 C ATOM 167 O MET A 14 6.470 -4.938 2.320 1.00 0.00 O ATOM 168 CB MET A 14 5.173 -7.116 0.010 1.00 0.00 C ATOM 169 CG MET A 14 4.391 -5.855 -0.322 1.00 0.00 C ATOM 170 SD MET A 14 3.207 -5.413 0.965 1.00 0.00 S ATOM 171 CE MET A 14 1.716 -6.174 0.328 1.00 0.00 C ATOM 0 H MET A 14 6.745 -8.920 0.686 1.00 0.00 H new ATOM 0 HA MET A 14 7.129 -6.277 0.312 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.487 -7.594 -0.918 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.515 -7.817 0.523 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.087 -5.029 -0.470 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.861 -5.998 -1.264 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.013 -6.337 1.145 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.262 -5.519 -0.415 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.964 -7.130 -0.134 1.00 0.00 H new ATOM 181 N LYS A 15 5.155 -6.652 2.949 1.00 0.00 N ATOM 182 CA LYS A 15 4.699 -5.997 4.169 1.00 0.00 C ATOM 183 C LYS A 15 5.814 -5.161 4.789 1.00 0.00 C ATOM 184 O LYS A 15 5.778 -3.931 4.748 1.00 0.00 O ATOM 185 CB LYS A 15 4.208 -7.039 5.178 1.00 0.00 C ATOM 186 CG LYS A 15 2.832 -7.597 4.855 1.00 0.00 C ATOM 187 CD LYS A 15 2.924 -8.827 3.968 1.00 0.00 C ATOM 188 CE LYS A 15 1.761 -9.778 4.212 1.00 0.00 C ATOM 189 NZ LYS A 15 2.140 -11.195 3.955 1.00 0.00 N ATOM 0 H LYS A 15 4.764 -7.582 2.798 1.00 0.00 H new ATOM 0 HA LYS A 15 3.874 -5.334 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.924 -7.860 5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.185 -6.589 6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.315 -7.852 5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.236 -6.832 4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.933 -8.522 2.921 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.865 -9.344 4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.417 -9.675 5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.926 -9.503 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.350 -11.687 3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.977 -11.224 3.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.358 -11.665 4.857 1.00 0.00 H new ATOM 203 N LYS A 16 6.805 -5.836 5.361 1.00 0.00 N ATOM 204 CA LYS A 16 7.933 -5.157 5.987 1.00 0.00 C ATOM 205 C LYS A 16 8.326 -3.913 5.195 1.00 0.00 C ATOM 206 O LYS A 16 8.168 -2.788 5.670 1.00 0.00 O ATOM 207 CB LYS A 16 9.130 -6.105 6.095 1.00 0.00 C ATOM 208 CG LYS A 16 8.979 -7.153 7.184 1.00 0.00 C ATOM 209 CD LYS A 16 10.295 -7.856 7.468 1.00 0.00 C ATOM 210 CE LYS A 16 10.517 -9.026 6.521 1.00 0.00 C ATOM 211 NZ LYS A 16 11.640 -9.897 6.969 1.00 0.00 N ATOM 0 H LYS A 16 6.850 -6.854 5.404 1.00 0.00 H new ATOM 0 HA LYS A 16 7.630 -4.849 6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.274 -6.606 5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.030 -5.520 6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.613 -6.681 8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.231 -7.887 6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.116 -7.146 7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.303 -8.213 8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.604 -9.617 6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.727 -8.648 5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.759 -10.682 6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.517 -9.339 7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.428 -10.278 7.913 1.00 0.00 H new ATOM 225 N TYR A 17 8.837 -4.124 3.987 1.00 0.00 N ATOM 226 CA TYR A 17 9.253 -3.020 3.131 1.00 0.00 C ATOM 227 C TYR A 17 8.210 -1.906 3.132 1.00 0.00 C ATOM 228 O TYR A 17 8.444 -0.822 3.665 1.00 0.00 O ATOM 229 CB TYR A 17 9.486 -3.515 1.702 1.00 0.00 C ATOM 230 CG TYR A 17 9.602 -2.400 0.687 1.00 0.00 C ATOM 231 CD1 TYR A 17 10.813 -1.755 0.470 1.00 0.00 C ATOM 232 CD2 TYR A 17 8.500 -1.993 -0.055 1.00 0.00 C ATOM 233 CE1 TYR A 17 10.923 -0.736 -0.456 1.00 0.00 C ATOM 234 CE2 TYR A 17 8.602 -0.976 -0.985 1.00 0.00 C ATOM 235 CZ TYR A 17 9.815 -0.350 -1.181 1.00 0.00 C ATOM 236 OH TYR A 17 9.920 0.664 -2.105 1.00 0.00 O ATOM 0 H TYR A 17 8.973 -5.049 3.579 1.00 0.00 H new ATOM 0 HA TYR A 17 10.186 -2.619 3.526 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.397 -4.114 1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.665 -4.172 1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.683 -2.055 1.035 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.548 -2.480 0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.872 -0.244 -0.612 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.736 -0.673 -1.555 1.00 0.00 H new ATOM 0 HH TYR A 17 9.049 0.811 -2.529 1.00 0.00 H new ATOM 246 N ALA A 18 7.058 -2.183 2.530 1.00 0.00 N ATOM 247 CA ALA A 18 5.977 -1.208 2.463 1.00 0.00 C ATOM 248 C ALA A 18 5.797 -0.495 3.799 1.00 0.00 C ATOM 249 O ALA A 18 5.470 0.690 3.842 1.00 0.00 O ATOM 250 CB ALA A 18 4.680 -1.884 2.044 1.00 0.00 C ATOM 0 H ALA A 18 6.850 -3.075 2.082 1.00 0.00 H new ATOM 0 HA ALA A 18 6.242 -0.461 1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.882 -1.143 1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.808 -2.340 1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.420 -2.654 2.771 1.00 0.00 H new ATOM 256 N GLU A 19 6.012 -1.227 4.888 1.00 0.00 N ATOM 257 CA GLU A 19 5.871 -0.664 6.226 1.00 0.00 C ATOM 258 C GLU A 19 6.976 0.350 6.509 1.00 0.00 C ATOM 259 O GLU A 19 6.728 1.555 6.572 1.00 0.00 O ATOM 260 CB GLU A 19 5.902 -1.776 7.277 1.00 0.00 C ATOM 261 CG GLU A 19 5.425 -1.329 8.649 1.00 0.00 C ATOM 262 CD GLU A 19 5.879 -2.261 9.756 1.00 0.00 C ATOM 263 OE1 GLU A 19 7.091 -2.275 10.060 1.00 0.00 O ATOM 264 OE2 GLU A 19 5.024 -2.977 10.318 1.00 0.00 O ATOM 0 H GLU A 19 6.284 -2.210 4.870 1.00 0.00 H new ATOM 0 HA GLU A 19 4.910 -0.152 6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.280 -2.604 6.937 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.920 -2.157 7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.797 -0.324 8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.336 -1.272 8.651 1.00 0.00 H new ATOM 271 N THR A 20 8.197 -0.147 6.680 1.00 0.00 N ATOM 272 CA THR A 20 9.340 0.713 6.958 1.00 0.00 C ATOM 273 C THR A 20 9.524 1.755 5.860 1.00 0.00 C ATOM 274 O THR A 20 10.286 2.709 6.017 1.00 0.00 O ATOM 275 CB THR A 20 10.638 -0.104 7.096 1.00 0.00 C ATOM 276 OG1 THR A 20 11.663 0.700 7.690 1.00 0.00 O ATOM 277 CG2 THR A 20 11.106 -0.611 5.740 1.00 0.00 C ATOM 0 H THR A 20 8.419 -1.141 6.631 1.00 0.00 H new ATOM 0 HA THR A 20 9.134 1.216 7.903 1.00 0.00 H new ATOM 0 HB THR A 20 10.434 -0.962 7.736 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.606 1.614 7.341 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.024 -1.185 5.863 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.336 -1.247 5.304 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.293 0.236 5.080 1.00 0.00 H new ATOM 285 N PHE A 21 8.820 1.567 4.748 1.00 0.00 N ATOM 286 CA PHE A 21 8.906 2.491 3.623 1.00 0.00 C ATOM 287 C PHE A 21 7.814 3.552 3.707 1.00 0.00 C ATOM 288 O PHE A 21 8.036 4.716 3.370 1.00 0.00 O ATOM 289 CB PHE A 21 8.794 1.730 2.301 1.00 0.00 C ATOM 290 CG PHE A 21 8.382 2.595 1.144 1.00 0.00 C ATOM 291 CD1 PHE A 21 9.036 3.790 0.889 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.343 2.213 0.312 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.658 4.588 -0.174 1.00 0.00 C ATOM 294 CE2 PHE A 21 6.961 3.007 -0.753 1.00 0.00 C ATOM 295 CZ PHE A 21 7.620 4.196 -0.997 1.00 0.00 C ATOM 0 H PHE A 21 8.184 0.783 4.602 1.00 0.00 H new ATOM 0 HA PHE A 21 9.875 2.988 3.666 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.755 1.268 2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.071 0.922 2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.850 4.101 1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.825 1.284 0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.174 5.518 -0.361 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.148 2.698 -1.394 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.325 4.818 -1.829 1.00 0.00 H new ATOM 305 N LEU A 22 6.633 3.143 4.156 1.00 0.00 N ATOM 306 CA LEU A 22 5.503 4.057 4.284 1.00 0.00 C ATOM 307 C LEU A 22 5.407 4.609 5.703 1.00 0.00 C ATOM 308 O LEU A 22 4.523 5.408 6.009 1.00 0.00 O ATOM 309 CB LEU A 22 4.201 3.346 3.911 1.00 0.00 C ATOM 310 CG LEU A 22 4.091 2.863 2.464 1.00 0.00 C ATOM 311 CD1 LEU A 22 2.926 1.897 2.312 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.935 4.044 1.518 1.00 0.00 C ATOM 0 H LEU A 22 6.432 2.183 4.438 1.00 0.00 H new ATOM 0 HA LEU A 22 5.663 4.891 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.078 2.487 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.370 4.023 4.111 1.00 0.00 H new ATOM 0 HG LEU A 22 5.009 2.336 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.863 1.564 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.080 1.036 2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.999 2.399 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.858 3.681 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.033 4.599 1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.802 4.699 1.607 1.00 0.00 H new ATOM 324 N GLU A 23 6.323 4.177 6.564 1.00 0.00 N ATOM 325 CA GLU A 23 6.341 4.629 7.950 1.00 0.00 C ATOM 326 C GLU A 23 6.198 6.147 8.029 1.00 0.00 C ATOM 327 O GLU A 23 5.288 6.677 8.666 1.00 0.00 O ATOM 328 CB GLU A 23 7.637 4.192 8.636 1.00 0.00 C ATOM 329 CG GLU A 23 7.520 2.866 9.369 1.00 0.00 C ATOM 330 CD GLU A 23 8.662 2.633 10.338 1.00 0.00 C ATOM 331 OE1 GLU A 23 9.808 3.002 10.006 1.00 0.00 O ATOM 332 OE2 GLU A 23 8.410 2.081 11.430 1.00 0.00 O ATOM 0 H GLU A 23 7.062 3.515 6.326 1.00 0.00 H new ATOM 0 HA GLU A 23 5.495 4.174 8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.426 4.116 7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.942 4.963 9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.576 2.838 9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.494 2.054 8.642 1.00 0.00 H new ATOM 339 N PRO A 24 7.119 6.863 7.367 1.00 0.00 N ATOM 340 CA PRO A 24 7.118 8.328 7.347 1.00 0.00 C ATOM 341 C PRO A 24 5.955 8.896 6.541 1.00 0.00 C ATOM 342 O PRO A 24 5.731 10.106 6.525 1.00 0.00 O ATOM 343 CB PRO A 24 8.451 8.675 6.679 1.00 0.00 C ATOM 344 CG PRO A 24 8.777 7.485 5.845 1.00 0.00 C ATOM 345 CD PRO A 24 8.232 6.296 6.587 1.00 0.00 C ATOM 0 HA PRO A 24 7.004 8.749 8.346 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.366 9.575 6.069 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.228 8.864 7.420 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.327 7.567 4.856 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.853 7.394 5.699 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.889 5.518 5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.986 5.844 7.232 1.00 0.00 H new ATOM 353 N TRP A 25 5.219 8.015 5.873 1.00 0.00 N ATOM 354 CA TRP A 25 4.078 8.430 5.065 1.00 0.00 C ATOM 355 C TRP A 25 2.765 8.078 5.755 1.00 0.00 C ATOM 356 O TRP A 25 1.719 8.653 5.451 1.00 0.00 O ATOM 357 CB TRP A 25 4.136 7.769 3.686 1.00 0.00 C ATOM 358 CG TRP A 25 4.882 8.579 2.670 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.388 9.606 1.917 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.256 8.429 2.295 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.372 10.103 1.096 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.527 9.398 1.309 1.00 0.00 C ATOM 363 CE3 TRP A 25 7.283 7.571 2.696 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.782 9.530 0.721 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.528 7.703 2.112 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.769 8.677 1.133 1.00 0.00 C ATOM 0 H TRP A 25 5.392 7.010 5.875 1.00 0.00 H new ATOM 0 HA TRP A 25 4.125 9.512 4.944 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.609 6.791 3.779 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.120 7.599 3.330 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.373 9.973 1.960 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.260 10.872 0.435 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.107 6.818 3.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.970 10.279 -0.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.329 7.045 2.415 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.753 8.756 0.695 1.00 0.00 H new ATOM 377 N PHE A 26 2.825 7.132 6.686 1.00 0.00 N ATOM 378 CA PHE A 26 1.640 6.704 7.420 1.00 0.00 C ATOM 379 C PHE A 26 1.911 6.674 8.921 1.00 0.00 C ATOM 380 O PHE A 26 1.082 7.107 9.722 1.00 0.00 O ATOM 381 CB PHE A 26 1.192 5.321 6.943 1.00 0.00 C ATOM 382 CG PHE A 26 0.524 5.337 5.598 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.430 6.295 5.295 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.850 4.395 4.636 1.00 0.00 C ATOM 385 CE1 PHE A 26 -1.046 6.314 4.058 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.238 4.408 3.397 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.712 5.368 3.108 1.00 0.00 C ATOM 0 H PHE A 26 3.682 6.647 6.950 1.00 0.00 H new ATOM 0 HA PHE A 26 0.844 7.423 7.227 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.059 4.662 6.901 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.505 4.898 7.676 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.695 7.036 6.035 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.591 3.641 4.857 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.787 7.067 3.834 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.502 3.668 2.656 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.193 5.379 2.141 1.00 0.00 H new ATOM 397 N LYS A 27 3.077 6.160 9.296 1.00 0.00 N ATOM 398 CA LYS A 27 3.460 6.073 10.700 1.00 0.00 C ATOM 399 C LYS A 27 3.895 7.435 11.231 1.00 0.00 C ATOM 400 O LYS A 27 4.636 8.162 10.569 1.00 0.00 O ATOM 401 CB LYS A 27 4.592 5.059 10.879 1.00 0.00 C ATOM 402 CG LYS A 27 4.764 4.586 12.313 1.00 0.00 C ATOM 403 CD LYS A 27 6.142 3.988 12.541 1.00 0.00 C ATOM 404 CE LYS A 27 6.597 4.171 13.981 1.00 0.00 C ATOM 405 NZ LYS A 27 7.115 5.546 14.228 1.00 0.00 N ATOM 0 H LYS A 27 3.774 5.797 8.646 1.00 0.00 H new ATOM 0 HA LYS A 27 2.590 5.742 11.268 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.400 4.196 10.241 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.526 5.506 10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.613 5.423 12.994 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.001 3.843 12.546 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.124 2.926 12.296 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.860 4.458 11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.763 3.971 14.654 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.375 3.443 14.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.415 5.631 15.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.927 5.728 13.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.365 6.240 14.032 1.00 0.00 H new ATOM 419 N ALA A 28 3.431 7.774 12.429 1.00 0.00 N ATOM 420 CA ALA A 28 3.776 9.047 13.049 1.00 0.00 C ATOM 421 C ALA A 28 5.251 9.375 12.847 1.00 0.00 C ATOM 422 O ALA A 28 6.080 8.497 12.608 1.00 0.00 O ATOM 423 CB ALA A 28 3.438 9.020 14.533 1.00 0.00 C ATOM 0 H ALA A 28 2.815 7.185 12.989 1.00 0.00 H new ATOM 0 HA ALA A 28 3.188 9.828 12.567 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.701 9.977 14.984 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.370 8.840 14.660 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.000 8.223 15.020 1.00 0.00 H new ATOM 429 N PRO A 29 5.588 10.670 12.943 1.00 0.00 N ATOM 430 CA PRO A 29 4.610 11.724 13.226 1.00 0.00 C ATOM 431 C PRO A 29 3.656 11.959 12.060 1.00 0.00 C ATOM 432 O PRO A 29 2.731 12.764 12.155 1.00 0.00 O ATOM 433 CB PRO A 29 5.480 12.961 13.462 1.00 0.00 C ATOM 434 CG PRO A 29 6.736 12.691 12.708 1.00 0.00 C ATOM 435 CD PRO A 29 6.951 11.204 12.782 1.00 0.00 C ATOM 0 HA PRO A 29 3.969 11.469 14.070 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.989 13.865 13.102 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.679 13.108 14.523 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.649 13.022 11.673 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.577 13.229 13.145 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.428 10.822 11.880 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.591 10.932 13.621 1.00 0.00 H new ATOM 443 N ASN A 30 3.888 11.249 10.960 1.00 0.00 N ATOM 444 CA ASN A 30 3.048 11.381 9.775 1.00 0.00 C ATOM 445 C ASN A 30 1.744 10.607 9.944 1.00 0.00 C ATOM 446 O ASN A 30 1.688 9.611 10.666 1.00 0.00 O ATOM 447 CB ASN A 30 3.795 10.879 8.537 1.00 0.00 C ATOM 448 CG ASN A 30 4.648 11.958 7.900 1.00 0.00 C ATOM 449 OD1 ASN A 30 4.322 12.471 6.829 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.748 12.308 8.557 1.00 0.00 N ATOM 0 H ASN A 30 4.650 10.577 10.865 1.00 0.00 H new ATOM 0 HA ASN A 30 2.809 12.437 9.645 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.428 10.036 8.815 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.075 10.510 7.806 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.362 13.029 8.177 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.979 11.856 9.442 1.00 0.00 H new ATOM 457 N LYS A 31 0.696 11.073 9.273 1.00 0.00 N ATOM 458 CA LYS A 31 -0.609 10.425 9.346 1.00 0.00 C ATOM 459 C LYS A 31 -1.596 11.081 8.386 1.00 0.00 C ATOM 460 O LYS A 31 -1.355 12.180 7.887 1.00 0.00 O ATOM 461 CB LYS A 31 -1.153 10.488 10.775 1.00 0.00 C ATOM 462 CG LYS A 31 -1.027 11.860 11.414 1.00 0.00 C ATOM 463 CD LYS A 31 -2.118 12.096 12.445 1.00 0.00 C ATOM 464 CE LYS A 31 -3.411 12.560 11.793 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.434 12.948 12.803 1.00 0.00 N ATOM 0 H LYS A 31 0.725 11.897 8.672 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.486 9.381 9.056 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.203 10.195 10.768 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.623 9.760 11.389 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.050 11.953 11.888 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.081 12.628 10.643 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.300 11.176 13.001 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.784 12.843 13.165 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.205 13.409 11.141 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.806 11.763 11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.278 12.351 12.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.045 12.819 13.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.695 13.946 12.667 1.00 0.00 H new ATOM 479 N GLY A 32 -2.710 10.400 8.132 1.00 0.00 N ATOM 480 CA GLY A 32 -3.717 10.933 7.234 1.00 0.00 C ATOM 481 C GLY A 32 -4.443 9.846 6.466 1.00 0.00 C ATOM 482 O GLY A 32 -4.470 8.689 6.887 1.00 0.00 O ATOM 0 H GLY A 32 -2.932 9.489 8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.440 11.513 7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.245 11.618 6.530 1.00 0.00 H new ATOM 486 N THR A 33 -5.035 10.217 5.335 1.00 0.00 N ATOM 487 CA THR A 33 -5.767 9.267 4.508 1.00 0.00 C ATOM 488 C THR A 33 -4.964 8.881 3.271 1.00 0.00 C ATOM 489 O THR A 33 -3.926 9.478 2.981 1.00 0.00 O ATOM 490 CB THR A 33 -7.127 9.838 4.065 1.00 0.00 C ATOM 491 OG1 THR A 33 -6.955 11.158 3.536 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.104 9.876 5.231 1.00 0.00 C ATOM 0 H THR A 33 -5.021 11.170 4.971 1.00 0.00 H new ATOM 0 HA THR A 33 -5.935 8.381 5.120 1.00 0.00 H new ATOM 0 HB THR A 33 -7.535 9.187 3.291 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.678 11.354 2.904 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.057 10.283 4.894 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.255 8.866 5.612 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.700 10.506 6.023 1.00 0.00 H new ATOM 500 N PHE A 34 -5.449 7.880 2.544 1.00 0.00 N ATOM 501 CA PHE A 34 -4.775 7.415 1.337 1.00 0.00 C ATOM 502 C PHE A 34 -5.690 6.509 0.519 1.00 0.00 C ATOM 503 O PHE A 34 -6.793 6.172 0.949 1.00 0.00 O ATOM 504 CB PHE A 34 -3.491 6.667 1.701 1.00 0.00 C ATOM 505 CG PHE A 34 -3.703 5.556 2.688 1.00 0.00 C ATOM 506 CD1 PHE A 34 -4.141 5.827 3.974 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.464 4.238 2.330 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.338 4.807 4.885 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.660 3.214 3.237 1.00 0.00 C ATOM 510 CZ PHE A 34 -4.096 3.498 4.516 1.00 0.00 C ATOM 0 H PHE A 34 -6.306 7.375 2.769 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.521 8.286 0.733 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.050 6.256 0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.772 7.375 2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.331 6.849 4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.121 4.009 1.332 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.681 5.033 5.884 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.472 2.191 2.945 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.247 2.699 5.226 1.00 0.00 H new ATOM 520 N GLN A 35 -5.223 6.119 -0.663 1.00 0.00 N ATOM 521 CA GLN A 35 -6.000 5.253 -1.543 1.00 0.00 C ATOM 522 C GLN A 35 -5.103 4.224 -2.223 1.00 0.00 C ATOM 523 O GLN A 35 -4.277 4.569 -3.068 1.00 0.00 O ATOM 524 CB GLN A 35 -6.732 6.086 -2.597 1.00 0.00 C ATOM 525 CG GLN A 35 -5.852 7.128 -3.267 1.00 0.00 C ATOM 526 CD GLN A 35 -6.547 7.825 -4.420 1.00 0.00 C ATOM 527 OE1 GLN A 35 -6.784 9.033 -4.379 1.00 0.00 O ATOM 528 NE2 GLN A 35 -6.878 7.065 -5.458 1.00 0.00 N ATOM 0 H GLN A 35 -4.312 6.389 -1.033 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.734 4.723 -0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.136 5.419 -3.359 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.580 6.586 -2.129 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.548 7.870 -2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.943 6.650 -3.631 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.662 6.068 -5.450 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.348 7.478 -6.264 1.00 0.00 H new ATOM 537 N ILE A 36 -5.272 2.960 -1.849 1.00 0.00 N ATOM 538 CA ILE A 36 -4.479 1.881 -2.424 1.00 0.00 C ATOM 539 C ILE A 36 -5.084 1.393 -3.736 1.00 0.00 C ATOM 540 O ILE A 36 -6.303 1.287 -3.869 1.00 0.00 O ATOM 541 CB ILE A 36 -4.359 0.691 -1.454 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.632 1.118 -0.176 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.632 -0.466 -2.122 1.00 0.00 C ATOM 544 CD1 ILE A 36 -3.798 0.143 0.968 1.00 0.00 C ATOM 0 H ILE A 36 -5.951 2.658 -1.150 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.485 2.287 -2.613 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.361 0.358 -1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.570 1.233 -0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.002 2.095 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.555 -1.299 -1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.187 -0.783 -3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.632 -0.146 -2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.257 0.510 1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.856 0.045 1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.401 -0.830 0.677 1.00 0.00 H new ATOM 556 N VAL A 37 -4.222 1.095 -4.704 1.00 0.00 N ATOM 557 CA VAL A 37 -4.670 0.615 -6.006 1.00 0.00 C ATOM 558 C VAL A 37 -3.701 -0.414 -6.576 1.00 0.00 C ATOM 559 O VAL A 37 -2.494 -0.177 -6.639 1.00 0.00 O ATOM 560 CB VAL A 37 -4.822 1.773 -7.009 1.00 0.00 C ATOM 561 CG1 VAL A 37 -5.163 1.240 -8.393 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.880 2.756 -6.532 1.00 0.00 C ATOM 0 H VAL A 37 -3.210 1.178 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.643 0.147 -5.853 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.871 2.301 -7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.267 2.073 -9.088 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.367 0.579 -8.735 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.101 0.686 -8.349 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.974 3.568 -7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.837 2.243 -6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.588 3.163 -5.564 1.00 0.00 H new ATOM 572 N TYR A 38 -4.235 -1.557 -6.990 1.00 0.00 N ATOM 573 CA TYR A 38 -3.417 -2.624 -7.554 1.00 0.00 C ATOM 574 C TYR A 38 -3.301 -2.479 -9.069 1.00 0.00 C ATOM 575 O TYR A 38 -4.216 -2.837 -9.811 1.00 0.00 O ATOM 576 CB TYR A 38 -4.011 -3.989 -7.205 1.00 0.00 C ATOM 577 CG TYR A 38 -3.109 -5.150 -7.560 1.00 0.00 C ATOM 578 CD1 TYR A 38 -2.089 -5.549 -6.706 1.00 0.00 C ATOM 579 CD2 TYR A 38 -3.279 -5.849 -8.749 1.00 0.00 C ATOM 580 CE1 TYR A 38 -1.262 -6.609 -7.026 1.00 0.00 C ATOM 581 CE2 TYR A 38 -2.458 -6.910 -9.077 1.00 0.00 C ATOM 582 CZ TYR A 38 -1.451 -7.286 -8.213 1.00 0.00 C ATOM 583 OH TYR A 38 -0.631 -8.343 -8.535 1.00 0.00 O ATOM 0 H TYR A 38 -5.232 -1.769 -6.946 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.419 -2.549 -7.123 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.226 -4.020 -6.137 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.962 -4.106 -7.725 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.939 -5.022 -5.775 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.067 -5.558 -9.428 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.473 -6.905 -6.351 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.604 -7.442 -10.005 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.898 -8.711 -9.403 1.00 0.00 H new ATOM 593 N LYS A 39 -2.169 -1.952 -9.521 1.00 0.00 N ATOM 594 CA LYS A 39 -1.929 -1.761 -10.946 1.00 0.00 C ATOM 595 C LYS A 39 -1.395 -3.039 -11.585 1.00 0.00 C ATOM 596 O LYS A 39 -0.262 -3.446 -11.327 1.00 0.00 O ATOM 597 CB LYS A 39 -0.939 -0.615 -11.169 1.00 0.00 C ATOM 598 CG LYS A 39 -1.161 0.569 -10.243 1.00 0.00 C ATOM 599 CD LYS A 39 -2.235 1.501 -10.776 1.00 0.00 C ATOM 600 CE LYS A 39 -1.737 2.300 -11.971 1.00 0.00 C ATOM 601 NZ LYS A 39 -2.846 2.669 -12.893 1.00 0.00 N ATOM 0 H LYS A 39 -1.402 -1.649 -8.920 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.879 -1.510 -11.418 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.075 -0.990 -11.029 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.014 -0.277 -12.202 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.448 0.210 -9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.227 1.119 -10.124 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.111 0.921 -11.065 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.551 2.183 -9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.240 3.205 -11.621 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.993 1.717 -12.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.465 3.212 -13.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.305 1.806 -13.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.544 3.247 -12.383 1.00 0.00 H new ATOM 615 N SER A 40 -2.217 -3.666 -12.420 1.00 0.00 N ATOM 616 CA SER A 40 -1.828 -4.899 -13.094 1.00 0.00 C ATOM 617 C SER A 40 -2.356 -4.927 -14.525 1.00 0.00 C ATOM 618 O SER A 40 -3.536 -4.674 -14.767 1.00 0.00 O ATOM 619 CB SER A 40 -2.349 -6.113 -12.322 1.00 0.00 C ATOM 620 OG SER A 40 -3.711 -6.363 -12.624 1.00 0.00 O ATOM 0 H SER A 40 -3.157 -3.340 -12.646 1.00 0.00 H new ATOM 0 HA SER A 40 -0.739 -4.938 -13.127 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.751 -6.990 -12.570 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.236 -5.943 -11.251 1.00 0.00 H new ATOM 0 HG SER A 40 -4.020 -7.144 -12.120 1.00 0.00 H new ATOM 626 N ARG A 41 -1.473 -5.235 -15.469 1.00 0.00 N ATOM 627 CA ARG A 41 -1.849 -5.295 -16.876 1.00 0.00 C ATOM 628 C ARG A 41 -1.729 -6.719 -17.411 1.00 0.00 C ATOM 629 O ARG A 41 -2.709 -7.305 -17.869 1.00 0.00 O ATOM 630 CB ARG A 41 -0.969 -4.353 -17.701 1.00 0.00 C ATOM 631 CG ARG A 41 -1.665 -3.790 -18.930 1.00 0.00 C ATOM 632 CD ARG A 41 -2.707 -2.749 -18.551 1.00 0.00 C ATOM 633 NE ARG A 41 -3.643 -2.490 -19.642 1.00 0.00 N ATOM 634 CZ ARG A 41 -3.338 -1.774 -20.718 1.00 0.00 C ATOM 635 NH1 ARG A 41 -2.127 -1.249 -20.847 1.00 0.00 N ATOM 636 NH2 ARG A 41 -4.244 -1.583 -21.668 1.00 0.00 N ATOM 0 H ARG A 41 -0.492 -5.447 -15.285 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.889 -4.980 -16.962 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.642 -3.527 -17.069 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.073 -4.888 -18.015 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.926 -3.342 -19.595 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.142 -4.600 -19.483 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.258 -3.090 -17.674 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.208 -1.821 -18.273 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.583 -2.881 -19.574 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.428 -1.395 -20.119 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.895 -0.699 -21.674 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.176 -1.986 -21.572 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.009 -1.033 -22.494 1.00 0.00 H new ATOM 650 N ASN A 42 -0.521 -7.269 -17.350 1.00 0.00 N ATOM 651 CA ASN A 42 -0.272 -8.624 -17.829 1.00 0.00 C ATOM 652 C ASN A 42 0.491 -9.438 -16.789 1.00 0.00 C ATOM 653 O ASN A 42 1.695 -9.655 -16.917 1.00 0.00 O ATOM 654 CB ASN A 42 0.514 -8.587 -19.141 1.00 0.00 C ATOM 655 CG ASN A 42 -0.388 -8.449 -20.353 1.00 0.00 C ATOM 656 OD1 ASN A 42 -1.198 -7.526 -20.435 1.00 0.00 O ATOM 657 ND2 ASN A 42 -0.251 -9.370 -21.300 1.00 0.00 N ATOM 0 H ASN A 42 0.301 -6.797 -16.973 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.235 -9.103 -18.003 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.216 -7.753 -19.117 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.105 -9.498 -19.233 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.831 -9.330 -22.138 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.434 -10.118 -21.189 1.00 0.00 H new ATOM 664 N ASN A 43 -0.220 -9.886 -15.759 1.00 0.00 N ATOM 665 CA ASN A 43 0.390 -10.676 -14.695 1.00 0.00 C ATOM 666 C ASN A 43 -0.672 -11.216 -13.742 1.00 0.00 C ATOM 667 O ASN A 43 -1.453 -10.456 -13.171 1.00 0.00 O ATOM 668 CB ASN A 43 1.404 -9.831 -13.921 1.00 0.00 C ATOM 669 CG ASN A 43 0.764 -8.633 -13.248 1.00 0.00 C ATOM 670 OD1 ASN A 43 0.284 -7.715 -13.914 1.00 0.00 O ATOM 671 ND2 ASN A 43 0.753 -8.636 -11.920 1.00 0.00 N ATOM 0 H ASN A 43 -1.218 -9.716 -15.639 1.00 0.00 H new ATOM 0 HA ASN A 43 0.905 -11.520 -15.153 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.890 -10.451 -13.168 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.183 -9.488 -14.602 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.335 -7.857 -11.412 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.162 -9.418 -11.408 1.00 0.00 H new ATOM 678 N SER A 44 -0.693 -12.535 -13.575 1.00 0.00 N ATOM 679 CA SER A 44 -1.660 -13.178 -12.693 1.00 0.00 C ATOM 680 C SER A 44 -0.965 -14.142 -11.736 1.00 0.00 C ATOM 681 O SER A 44 -0.894 -15.345 -11.990 1.00 0.00 O ATOM 682 CB SER A 44 -2.711 -13.927 -13.515 1.00 0.00 C ATOM 683 OG SER A 44 -3.854 -14.224 -12.732 1.00 0.00 O ATOM 0 H SER A 44 -0.052 -13.179 -14.039 1.00 0.00 H new ATOM 0 HA SER A 44 -2.152 -12.402 -12.106 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.002 -13.324 -14.375 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.283 -14.851 -13.904 1.00 0.00 H new ATOM 0 HG SER A 44 -4.511 -14.701 -13.280 1.00 0.00 H new ATOM 689 N HIS A 45 -0.454 -13.604 -10.633 1.00 0.00 N ATOM 690 CA HIS A 45 0.235 -14.415 -9.635 1.00 0.00 C ATOM 691 C HIS A 45 -0.578 -14.499 -8.347 1.00 0.00 C ATOM 692 O HIS A 45 -0.978 -15.583 -7.923 1.00 0.00 O ATOM 693 CB HIS A 45 1.619 -13.834 -9.342 1.00 0.00 C ATOM 694 CG HIS A 45 2.462 -13.648 -10.566 1.00 0.00 C ATOM 695 ND1 HIS A 45 2.947 -14.701 -11.313 1.00 0.00 N ATOM 696 CD2 HIS A 45 2.903 -12.522 -11.174 1.00 0.00 C ATOM 697 CE1 HIS A 45 3.653 -14.230 -12.326 1.00 0.00 C ATOM 698 NE2 HIS A 45 3.641 -12.911 -12.265 1.00 0.00 N ATOM 0 H HIS A 45 -0.504 -12.610 -10.408 1.00 0.00 H new ATOM 0 HA HIS A 45 0.350 -15.422 -10.037 1.00 0.00 H new ATOM 0 HB2 HIS A 45 1.502 -12.873 -8.842 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.141 -14.493 -8.648 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.710 -11.507 -10.860 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.155 -14.823 -13.076 1.00 0.00 H new ATOM 0 HE2 HIS A 45 4.105 -12.283 -12.922 1.00 0.00 H new ATOM 706 N VAL A 46 -0.817 -13.347 -7.729 1.00 0.00 N ATOM 707 CA VAL A 46 -1.583 -13.289 -6.489 1.00 0.00 C ATOM 708 C VAL A 46 -2.774 -12.347 -6.621 1.00 0.00 C ATOM 709 O VAL A 46 -2.681 -11.299 -7.259 1.00 0.00 O ATOM 710 CB VAL A 46 -0.706 -12.828 -5.309 1.00 0.00 C ATOM 711 CG1 VAL A 46 -0.204 -11.411 -5.539 1.00 0.00 C ATOM 712 CG2 VAL A 46 -1.480 -12.924 -4.002 1.00 0.00 C ATOM 0 H VAL A 46 -0.491 -12.441 -8.066 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.943 -14.299 -6.292 1.00 0.00 H new ATOM 0 HB VAL A 46 0.159 -13.487 -5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.414 -11.102 -4.695 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.388 -11.379 -6.453 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.054 -10.735 -5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.846 -12.595 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.364 -12.289 -4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.785 -13.957 -3.835 1.00 0.00 H new ATOM 722 N ASN A 47 -3.893 -12.728 -6.014 1.00 0.00 N ATOM 723 CA ASN A 47 -5.104 -11.916 -6.064 1.00 0.00 C ATOM 724 C ASN A 47 -4.829 -10.498 -5.574 1.00 0.00 C ATOM 725 O ASN A 47 -4.261 -10.301 -4.499 1.00 0.00 O ATOM 726 CB ASN A 47 -6.207 -12.556 -5.217 1.00 0.00 C ATOM 727 CG ASN A 47 -7.595 -12.201 -5.713 1.00 0.00 C ATOM 728 OD1 ASN A 47 -7.793 -11.931 -6.897 1.00 0.00 O ATOM 729 ND2 ASN A 47 -8.564 -12.199 -4.805 1.00 0.00 N ATOM 0 H ASN A 47 -3.987 -13.593 -5.482 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.435 -11.865 -7.101 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.087 -13.639 -5.227 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.100 -12.233 -4.182 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.519 -11.967 -5.079 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.353 -12.429 -3.834 1.00 0.00 H new ATOM 736 N ARG A 48 -5.237 -9.514 -6.368 1.00 0.00 N ATOM 737 CA ARG A 48 -5.034 -8.114 -6.016 1.00 0.00 C ATOM 738 C ARG A 48 -5.640 -7.804 -4.650 1.00 0.00 C ATOM 739 O ARG A 48 -5.007 -7.163 -3.812 1.00 0.00 O ATOM 740 CB ARG A 48 -5.653 -7.204 -7.079 1.00 0.00 C ATOM 741 CG ARG A 48 -7.137 -7.445 -7.298 1.00 0.00 C ATOM 742 CD ARG A 48 -7.618 -6.817 -8.597 1.00 0.00 C ATOM 743 NE ARG A 48 -8.889 -7.383 -9.041 1.00 0.00 N ATOM 744 CZ ARG A 48 -9.015 -8.612 -9.529 1.00 0.00 C ATOM 745 NH1 ARG A 48 -7.954 -9.400 -9.634 1.00 0.00 N ATOM 746 NH2 ARG A 48 -10.206 -9.056 -9.912 1.00 0.00 N ATOM 0 H ARG A 48 -5.710 -9.660 -7.260 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.961 -7.929 -5.969 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.501 -6.165 -6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.127 -7.351 -8.022 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.334 -8.517 -7.316 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.701 -7.031 -6.462 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.728 -5.741 -8.460 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.865 -6.965 -9.371 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.725 -6.803 -8.973 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.037 -9.063 -9.340 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.054 -10.343 -10.009 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.025 -8.453 -9.832 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.302 -10.000 -10.287 1.00 0.00 H new ATOM 760 N GLU A 49 -6.869 -8.263 -4.436 1.00 0.00 N ATOM 761 CA GLU A 49 -7.559 -8.033 -3.172 1.00 0.00 C ATOM 762 C GLU A 49 -6.610 -8.214 -1.992 1.00 0.00 C ATOM 763 O GLU A 49 -6.554 -7.376 -1.093 1.00 0.00 O ATOM 764 CB GLU A 49 -8.749 -8.985 -3.035 1.00 0.00 C ATOM 765 CG GLU A 49 -9.756 -8.868 -4.166 1.00 0.00 C ATOM 766 CD GLU A 49 -10.797 -9.971 -4.137 1.00 0.00 C ATOM 767 OE1 GLU A 49 -11.423 -10.168 -3.075 1.00 0.00 O ATOM 768 OE2 GLU A 49 -10.985 -10.636 -5.178 1.00 0.00 O ATOM 0 H GLU A 49 -7.407 -8.795 -5.120 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.922 -7.005 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.380 -10.010 -2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.254 -8.788 -2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.255 -7.901 -4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.230 -8.895 -5.120 1.00 0.00 H new ATOM 775 N GLU A 50 -5.864 -9.315 -2.003 1.00 0.00 N ATOM 776 CA GLU A 50 -4.918 -9.607 -0.933 1.00 0.00 C ATOM 777 C GLU A 50 -3.951 -8.443 -0.729 1.00 0.00 C ATOM 778 O GLU A 50 -3.836 -7.903 0.371 1.00 0.00 O ATOM 779 CB GLU A 50 -4.137 -10.884 -1.248 1.00 0.00 C ATOM 780 CG GLU A 50 -4.797 -12.147 -0.720 1.00 0.00 C ATOM 781 CD GLU A 50 -4.897 -12.164 0.793 1.00 0.00 C ATOM 782 OE1 GLU A 50 -3.839 -12.191 1.457 1.00 0.00 O ATOM 783 OE2 GLU A 50 -6.032 -12.151 1.313 1.00 0.00 O ATOM 0 H GLU A 50 -5.897 -10.019 -2.741 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.483 -9.753 -0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.019 -10.970 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.137 -10.802 -0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.796 -12.237 -1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.229 -13.016 -1.053 1.00 0.00 H new ATOM 790 N VAL A 51 -3.259 -8.063 -1.798 1.00 0.00 N ATOM 791 CA VAL A 51 -2.302 -6.964 -1.738 1.00 0.00 C ATOM 792 C VAL A 51 -2.968 -5.682 -1.252 1.00 0.00 C ATOM 793 O VAL A 51 -2.625 -5.155 -0.193 1.00 0.00 O ATOM 794 CB VAL A 51 -1.657 -6.705 -3.112 1.00 0.00 C ATOM 795 CG1 VAL A 51 -0.531 -5.690 -2.991 1.00 0.00 C ATOM 796 CG2 VAL A 51 -1.151 -8.006 -3.716 1.00 0.00 C ATOM 0 H VAL A 51 -3.343 -8.500 -2.716 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.526 -7.258 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.415 -6.292 -3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.087 -5.520 -3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.927 -4.751 -2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.230 -6.070 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.698 -7.805 -4.687 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.407 -8.450 -3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.984 -8.698 -3.841 1.00 0.00 H new ATOM 806 N ILE A 52 -3.923 -5.185 -2.031 1.00 0.00 N ATOM 807 CA ILE A 52 -4.638 -3.965 -1.679 1.00 0.00 C ATOM 808 C ILE A 52 -5.107 -4.002 -0.228 1.00 0.00 C ATOM 809 O ILE A 52 -4.636 -3.229 0.606 1.00 0.00 O ATOM 810 CB ILE A 52 -5.857 -3.743 -2.595 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.414 -3.651 -4.056 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.606 -2.485 -2.183 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.562 -3.697 -5.040 1.00 0.00 C ATOM 0 H ILE A 52 -4.219 -5.609 -2.910 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.939 -3.140 -1.812 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.531 -4.594 -2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.859 -2.724 -4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.728 -4.470 -4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.464 -2.341 -2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.949 -2.587 -1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.942 -1.624 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.173 -3.627 -6.056 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.104 -4.635 -4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.237 -2.862 -4.851 1.00 0.00 H new ATOM 825 N ARG A 53 -6.035 -4.906 0.065 1.00 0.00 N ATOM 826 CA ARG A 53 -6.567 -5.045 1.416 1.00 0.00 C ATOM 827 C ARG A 53 -5.441 -5.041 2.446 1.00 0.00 C ATOM 828 O ARG A 53 -5.326 -4.115 3.249 1.00 0.00 O ATOM 829 CB ARG A 53 -7.379 -6.335 1.537 1.00 0.00 C ATOM 830 CG ARG A 53 -8.647 -6.338 0.699 1.00 0.00 C ATOM 831 CD ARG A 53 -9.679 -5.364 1.246 1.00 0.00 C ATOM 832 NE ARG A 53 -11.039 -5.742 0.875 1.00 0.00 N ATOM 833 CZ ARG A 53 -11.607 -5.408 -0.278 1.00 0.00 C ATOM 834 NH1 ARG A 53 -10.934 -4.692 -1.169 1.00 0.00 N ATOM 835 NH2 ARG A 53 -12.850 -5.789 -0.543 1.00 0.00 N ATOM 0 H ARG A 53 -6.435 -5.553 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.219 -4.194 1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.754 -7.177 1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.644 -6.490 2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.405 -6.073 -0.330 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.069 -7.343 0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.598 -5.322 2.332 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.466 -4.363 0.872 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.584 -6.293 1.538 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.978 -4.397 -0.969 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.372 -4.437 -2.054 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.371 -6.339 0.139 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.284 -5.531 -1.429 1.00 0.00 H new ATOM 849 N GLU A 54 -4.615 -6.082 2.417 1.00 0.00 N ATOM 850 CA GLU A 54 -3.501 -6.198 3.350 1.00 0.00 C ATOM 851 C GLU A 54 -2.768 -4.867 3.491 1.00 0.00 C ATOM 852 O GLU A 54 -2.728 -4.279 4.573 1.00 0.00 O ATOM 853 CB GLU A 54 -2.526 -7.281 2.883 1.00 0.00 C ATOM 854 CG GLU A 54 -1.182 -7.238 3.590 1.00 0.00 C ATOM 855 CD GLU A 54 -1.256 -7.750 5.016 1.00 0.00 C ATOM 856 OE1 GLU A 54 -2.129 -8.598 5.296 1.00 0.00 O ATOM 857 OE2 GLU A 54 -0.443 -7.302 5.850 1.00 0.00 O ATOM 0 H GLU A 54 -4.696 -6.856 1.758 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.904 -6.477 4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.980 -8.259 3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.366 -7.175 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.462 -7.835 3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.811 -6.213 3.595 1.00 0.00 H new ATOM 864 N LEU A 55 -2.191 -4.397 2.391 1.00 0.00 N ATOM 865 CA LEU A 55 -1.459 -3.135 2.390 1.00 0.00 C ATOM 866 C LEU A 55 -2.160 -2.098 3.262 1.00 0.00 C ATOM 867 O LEU A 55 -1.512 -1.267 3.898 1.00 0.00 O ATOM 868 CB LEU A 55 -1.317 -2.605 0.962 1.00 0.00 C ATOM 869 CG LEU A 55 -0.101 -3.102 0.180 1.00 0.00 C ATOM 870 CD1 LEU A 55 -0.278 -2.835 -1.307 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.170 -2.442 0.694 1.00 0.00 C ATOM 0 H LEU A 55 -2.216 -4.871 1.488 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.467 -3.319 2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.216 -2.872 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.278 -1.516 1.002 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.013 -4.178 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.597 -3.195 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.166 -3.354 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.392 -1.764 -1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.025 -2.808 0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.092 -1.361 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.305 -2.684 1.748 1.00 0.00 H new ATOM 883 N ALA A 56 -3.487 -2.155 3.288 1.00 0.00 N ATOM 884 CA ALA A 56 -4.276 -1.224 4.086 1.00 0.00 C ATOM 885 C ALA A 56 -4.240 -1.599 5.563 1.00 0.00 C ATOM 886 O ALA A 56 -4.012 -0.750 6.424 1.00 0.00 O ATOM 887 CB ALA A 56 -5.712 -1.186 3.584 1.00 0.00 C ATOM 0 H ALA A 56 -4.039 -2.836 2.766 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.838 -0.231 3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.290 -0.487 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.725 -0.863 2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.151 -2.181 3.660 1.00 0.00 H new ATOM 893 N GLY A 57 -4.467 -2.877 5.851 1.00 0.00 N ATOM 894 CA GLY A 57 -4.457 -3.342 7.226 1.00 0.00 C ATOM 895 C GLY A 57 -3.184 -2.961 7.956 1.00 0.00 C ATOM 896 O GLY A 57 -3.184 -2.809 9.178 1.00 0.00 O ATOM 0 H GLY A 57 -4.658 -3.599 5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.314 -2.924 7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.571 -4.426 7.241 1.00 0.00 H new ATOM 900 N ILE A 58 -2.097 -2.809 7.208 1.00 0.00 N ATOM 901 CA ILE A 58 -0.812 -2.445 7.793 1.00 0.00 C ATOM 902 C ILE A 58 -0.755 -0.954 8.108 1.00 0.00 C ATOM 903 O ILE A 58 -0.458 -0.557 9.235 1.00 0.00 O ATOM 904 CB ILE A 58 0.355 -2.806 6.856 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.295 -4.287 6.477 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.686 -2.477 7.517 1.00 0.00 C ATOM 907 CD1 ILE A 58 1.197 -4.652 5.319 1.00 0.00 C ATOM 0 H ILE A 58 -2.080 -2.932 6.196 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.713 -3.013 8.718 1.00 0.00 H new ATOM 0 HB ILE A 58 0.267 -2.213 5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.570 -4.887 7.344 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.732 -4.547 6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.502 -2.738 6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.727 -1.411 7.741 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.784 -3.046 8.441 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.103 -5.717 5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.908 -4.079 4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.231 -4.424 5.577 1.00 0.00 H new ATOM 919 N VAL A 59 -1.042 -0.131 7.104 1.00 0.00 N ATOM 920 CA VAL A 59 -1.026 1.317 7.274 1.00 0.00 C ATOM 921 C VAL A 59 -1.595 1.717 8.630 1.00 0.00 C ATOM 922 O VAL A 59 -0.973 2.474 9.376 1.00 0.00 O ATOM 923 CB VAL A 59 -1.829 2.021 6.164 1.00 0.00 C ATOM 924 CG1 VAL A 59 -1.937 3.512 6.446 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.190 1.772 4.805 1.00 0.00 C ATOM 0 H VAL A 59 -1.288 -0.443 6.165 1.00 0.00 H new ATOM 0 HA VAL A 59 0.016 1.632 7.214 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.836 1.605 6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.508 3.992 5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.442 3.666 7.399 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.939 3.947 6.490 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.770 2.276 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.171 2.160 4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.170 0.701 4.603 1.00 0.00 H new ATOM 935 N CYS A 60 -2.780 1.205 8.942 1.00 0.00 N ATOM 936 CA CYS A 60 -3.435 1.509 10.210 1.00 0.00 C ATOM 937 C CYS A 60 -2.577 1.056 11.387 1.00 0.00 C ATOM 938 O CYS A 60 -2.493 1.739 12.408 1.00 0.00 O ATOM 939 CB CYS A 60 -4.807 0.836 10.274 1.00 0.00 C ATOM 940 SG CYS A 60 -6.115 1.746 9.419 1.00 0.00 S ATOM 0 H CYS A 60 -3.307 0.577 8.335 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.566 2.589 10.273 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.731 -0.162 9.842 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.090 0.710 11.319 1.00 0.00 H new ATOM 0 HG CYS A 60 -5.952 3.022 9.610 1.00 0.00 H new ATOM 946 N THR A 61 -1.942 -0.103 11.239 1.00 0.00 N ATOM 947 CA THR A 61 -1.094 -0.649 12.290 1.00 0.00 C ATOM 948 C THR A 61 -0.046 0.365 12.734 1.00 0.00 C ATOM 949 O THR A 61 0.362 0.384 13.896 1.00 0.00 O ATOM 950 CB THR A 61 -0.383 -1.935 11.827 1.00 0.00 C ATOM 951 OG1 THR A 61 -1.347 -2.889 11.368 1.00 0.00 O ATOM 952 CG2 THR A 61 0.436 -2.538 12.958 1.00 0.00 C ATOM 0 H THR A 61 -2.000 -0.681 10.401 1.00 0.00 H new ATOM 0 HA THR A 61 -1.746 -0.885 13.131 1.00 0.00 H new ATOM 0 HB THR A 61 0.291 -1.677 11.010 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.744 -2.575 10.529 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.929 -3.445 12.607 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.188 -1.820 13.286 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.221 -2.782 13.793 1.00 0.00 H new ATOM 960 N LEU A 62 0.386 1.209 11.803 1.00 0.00 N ATOM 961 CA LEU A 62 1.386 2.228 12.099 1.00 0.00 C ATOM 962 C LEU A 62 0.800 3.328 12.979 1.00 0.00 C ATOM 963 O LEU A 62 1.166 3.464 14.145 1.00 0.00 O ATOM 964 CB LEU A 62 1.927 2.832 10.801 1.00 0.00 C ATOM 965 CG LEU A 62 2.537 1.845 9.805 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.602 2.461 8.416 1.00 0.00 C ATOM 967 CD2 LEU A 62 3.921 1.411 10.264 1.00 0.00 C ATOM 0 H LEU A 62 0.059 1.207 10.837 1.00 0.00 H new ATOM 0 HA LEU A 62 2.204 1.752 12.640 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.115 3.363 10.305 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.684 3.574 11.057 1.00 0.00 H new ATOM 0 HG LEU A 62 1.899 0.963 9.759 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.039 1.745 7.720 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.596 2.721 8.086 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.218 3.360 8.445 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.340 0.709 9.543 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.570 2.284 10.339 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.847 0.929 11.239 1.00 0.00 H new ATOM 979 N ASN A 63 -0.114 4.108 12.412 1.00 0.00 N ATOM 980 CA ASN A 63 -0.752 5.195 13.145 1.00 0.00 C ATOM 981 C ASN A 63 -2.272 5.074 13.084 1.00 0.00 C ATOM 982 O ASN A 63 -2.863 5.097 12.004 1.00 0.00 O ATOM 983 CB ASN A 63 -0.314 6.547 12.579 1.00 0.00 C ATOM 984 CG ASN A 63 -0.331 7.645 13.625 1.00 0.00 C ATOM 985 OD1 ASN A 63 -1.079 7.576 14.601 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.495 8.665 13.426 1.00 0.00 N ATOM 0 H ASN A 63 -0.430 4.008 11.447 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.441 5.128 14.188 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.691 6.457 12.167 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.972 6.823 11.755 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.527 9.433 14.096 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.097 8.680 12.603 1.00 0.00 H new ATOM 993 N SER A 64 -2.898 4.945 14.249 1.00 0.00 N ATOM 994 CA SER A 64 -4.348 4.817 14.328 1.00 0.00 C ATOM 995 C SER A 64 -5.035 5.961 13.589 1.00 0.00 C ATOM 996 O SER A 64 -6.152 5.811 13.093 1.00 0.00 O ATOM 997 CB SER A 64 -4.800 4.795 15.789 1.00 0.00 C ATOM 998 OG SER A 64 -4.669 3.498 16.344 1.00 0.00 O ATOM 0 H SER A 64 -2.423 4.926 15.152 1.00 0.00 H new ATOM 0 HA SER A 64 -4.632 3.878 13.853 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.206 5.503 16.367 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.838 5.120 15.857 1.00 0.00 H new ATOM 0 HG SER A 64 -4.963 3.511 17.279 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.359 7.104 13.519 1.00 0.00 N ATOM 1005 CA GLU A 65 -4.905 8.274 12.841 1.00 0.00 C ATOM 1006 C GLU A 65 -5.043 8.019 11.343 1.00 0.00 C ATOM 1007 O GLU A 65 -5.861 8.644 10.669 1.00 0.00 O ATOM 1008 CB GLU A 65 -4.012 9.493 13.082 1.00 0.00 C ATOM 1009 CG GLU A 65 -4.027 9.983 14.521 1.00 0.00 C ATOM 1010 CD GLU A 65 -5.431 10.213 15.045 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -6.067 9.233 15.486 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -5.893 11.373 15.013 1.00 0.00 O ATOM 0 H GLU A 65 -3.433 7.244 13.923 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.895 8.471 13.251 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.988 9.244 12.802 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.333 10.303 12.428 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.522 9.254 15.154 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.461 10.912 14.590 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.236 7.096 10.829 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.267 6.759 9.410 1.00 0.00 C ATOM 1021 C ASN A 66 -5.579 6.073 9.042 1.00 0.00 C ATOM 1022 O ASN A 66 -6.000 5.120 9.699 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.087 5.852 9.055 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.775 6.364 9.615 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.555 7.572 9.706 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -0.895 5.445 9.995 1.00 0.00 N ATOM 0 H ASN A 66 -3.553 6.569 11.373 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.190 7.685 8.840 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.275 4.849 9.438 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.009 5.770 7.971 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.005 5.730 10.380 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.120 4.454 9.901 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.222 6.564 7.988 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.485 5.999 7.530 1.00 0.00 C ATOM 1035 C LYS A 67 -7.576 6.032 6.008 1.00 0.00 C ATOM 1036 O LYS A 67 -7.701 7.099 5.407 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.661 6.765 8.139 1.00 0.00 C ATOM 1038 CG LYS A 67 -9.014 6.320 9.547 1.00 0.00 C ATOM 1039 CD LYS A 67 -8.234 7.100 10.591 1.00 0.00 C ATOM 1040 CE LYS A 67 -8.986 7.171 11.912 1.00 0.00 C ATOM 1041 NZ LYS A 67 -10.149 8.098 11.837 1.00 0.00 N ATOM 0 H LYS A 67 -5.888 7.353 7.434 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.529 4.960 7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.423 7.829 8.152 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.534 6.642 7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.083 6.454 9.715 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.806 5.256 9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.264 6.629 10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.043 8.109 10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.332 6.175 12.187 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.308 7.501 12.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.469 8.332 12.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.867 8.970 11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.924 7.641 11.315 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.514 4.857 5.390 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.592 4.752 3.937 1.00 0.00 C ATOM 1057 C VAL A 68 -8.941 5.242 3.423 1.00 0.00 C ATOM 1058 O VAL A 68 -9.987 4.696 3.774 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.372 3.302 3.467 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.272 2.348 4.238 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.616 3.185 1.970 1.00 0.00 C ATOM 0 H VAL A 68 -7.410 3.964 5.872 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.801 5.382 3.531 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.336 3.027 3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.102 1.328 3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.044 2.413 5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.315 2.618 4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.456 2.154 1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.641 3.479 1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.926 3.839 1.437 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.909 6.276 2.589 1.00 0.00 N ATOM 1072 CA ASP A 69 -10.129 6.840 2.023 1.00 0.00 C ATOM 1073 C ASP A 69 -10.093 6.794 0.499 1.00 0.00 C ATOM 1074 O ASP A 69 -9.030 6.911 -0.112 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.317 8.282 2.498 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.776 8.694 2.532 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.615 7.872 2.955 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -12.078 9.839 2.135 1.00 0.00 O ATOM 0 H ASP A 69 -8.052 6.740 2.290 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.971 6.239 2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.888 8.392 3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.768 8.954 1.838 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.262 6.623 -0.110 1.00 0.00 N ATOM 1084 CA LEU A 70 -11.365 6.560 -1.564 1.00 0.00 C ATOM 1085 C LEU A 70 -12.129 7.763 -2.108 1.00 0.00 C ATOM 1086 O LEU A 70 -12.393 7.854 -3.307 1.00 0.00 O ATOM 1087 CB LEU A 70 -12.058 5.265 -1.991 1.00 0.00 C ATOM 1088 CG LEU A 70 -11.420 3.967 -1.494 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -12.268 2.769 -1.891 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -10.006 3.826 -2.038 1.00 0.00 C ATOM 0 H LEU A 70 -12.151 6.526 0.380 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.356 6.577 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.090 5.296 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.091 5.236 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.367 4.004 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.798 1.855 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.261 2.865 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.353 2.727 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.567 2.897 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.035 3.811 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.401 4.669 -1.702 1.00 0.00 H new ATOM 1102 N THR A 71 -12.482 8.685 -1.218 1.00 0.00 N ATOM 1103 CA THR A 71 -13.215 9.883 -1.608 1.00 0.00 C ATOM 1104 C THR A 71 -12.363 11.133 -1.425 1.00 0.00 C ATOM 1105 O THR A 71 -12.344 12.014 -2.284 1.00 0.00 O ATOM 1106 CB THR A 71 -14.514 10.037 -0.794 1.00 0.00 C ATOM 1107 OG1 THR A 71 -15.405 8.955 -1.084 1.00 0.00 O ATOM 1108 CG2 THR A 71 -15.195 11.360 -1.108 1.00 0.00 C ATOM 0 H THR A 71 -12.272 8.625 -0.222 1.00 0.00 H new ATOM 0 HA THR A 71 -13.467 9.770 -2.662 1.00 0.00 H new ATOM 0 HB THR A 71 -14.257 10.021 0.265 1.00 0.00 H new ATOM 0 HG1 THR A 71 -16.227 9.059 -0.561 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.110 11.446 -0.522 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.525 12.183 -0.858 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.439 11.401 -2.170 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.658 11.204 -0.301 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.802 12.348 -0.006 1.00 0.00 C ATOM 1118 C ASN A 72 -9.425 11.891 0.463 1.00 0.00 C ATOM 1119 O ASN A 72 -8.932 12.300 1.514 1.00 0.00 O ATOM 1120 CB ASN A 72 -11.449 13.233 1.062 1.00 0.00 C ATOM 1121 CG ASN A 72 -11.070 14.693 0.910 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -10.077 15.150 1.477 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -11.861 15.433 0.142 1.00 0.00 N ATOM 0 H ASN A 72 -11.662 10.483 0.421 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.681 12.925 -0.923 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.533 13.134 1.004 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.149 12.884 2.050 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.656 16.422 0.003 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.674 15.012 -0.309 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.787 11.021 -0.335 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.457 10.490 -0.023 1.00 0.00 C ATOM 1132 C PRO A 73 -6.367 11.550 -0.142 1.00 0.00 C ATOM 1133 O PRO A 73 -6.411 12.401 -1.029 1.00 0.00 O ATOM 1134 CB PRO A 73 -7.256 9.396 -1.075 1.00 0.00 C ATOM 1135 CG PRO A 73 -8.125 9.803 -2.214 1.00 0.00 C ATOM 1136 CD PRO A 73 -9.314 10.491 -1.603 1.00 0.00 C ATOM 0 HA PRO A 73 -7.393 10.130 1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.212 9.326 -1.379 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.542 8.418 -0.689 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.593 10.471 -2.891 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.434 8.936 -2.798 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.692 11.287 -2.245 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.138 9.797 -1.437 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.389 11.490 0.757 1.00 0.00 N ATOM 1145 CA GLN A 74 -4.288 12.446 0.752 1.00 0.00 C ATOM 1146 C GLN A 74 -3.054 11.851 0.082 1.00 0.00 C ATOM 1147 O GLN A 74 -2.262 12.567 -0.531 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.951 12.875 2.181 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.958 13.842 2.780 1.00 0.00 C ATOM 1150 CD GLN A 74 -4.754 14.051 4.268 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -3.623 14.145 4.744 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -5.852 14.124 5.012 1.00 0.00 N ATOM 0 H GLN A 74 -5.337 10.790 1.497 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.602 13.321 0.182 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.891 11.989 2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.965 13.339 2.189 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.883 14.802 2.269 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.966 13.466 2.605 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.770 14.041 4.576 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.777 14.263 6.020 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.896 10.538 0.205 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.757 9.847 -0.387 1.00 0.00 C ATOM 1163 C TYR A 75 -2.215 8.646 -1.210 1.00 0.00 C ATOM 1164 O TYR A 75 -2.972 7.801 -0.731 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.787 9.390 0.705 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.357 10.502 1.636 1.00 0.00 C ATOM 1167 CD1 TYR A 75 0.686 11.354 1.296 1.00 0.00 C ATOM 1168 CD2 TYR A 75 -0.995 10.700 2.854 1.00 0.00 C ATOM 1169 CE1 TYR A 75 1.083 12.370 2.144 1.00 0.00 C ATOM 1170 CE2 TYR A 75 -0.606 11.714 3.707 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.434 12.547 3.348 1.00 0.00 C ATOM 1172 OH TYR A 75 0.825 13.558 4.194 1.00 0.00 O ATOM 0 H TYR A 75 -3.542 9.931 0.709 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.246 10.545 -1.050 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.257 8.599 1.290 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.097 8.957 0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.195 11.220 0.353 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.809 10.050 3.139 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.897 13.022 1.865 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.113 11.854 4.650 1.00 0.00 H new ATOM 0 HH TYR A 75 0.265 13.546 4.998 1.00 0.00 H new ATOM 1182 N THR A 76 -1.749 8.577 -2.453 1.00 0.00 N ATOM 1183 CA THR A 76 -2.110 7.482 -3.345 1.00 0.00 C ATOM 1184 C THR A 76 -0.998 6.442 -3.416 1.00 0.00 C ATOM 1185 O THR A 76 0.054 6.682 -4.008 1.00 0.00 O ATOM 1186 CB THR A 76 -2.412 7.992 -4.767 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.372 9.053 -4.713 1.00 0.00 O ATOM 1188 CG2 THR A 76 -2.941 6.867 -5.643 1.00 0.00 C ATOM 0 H THR A 76 -1.121 9.267 -2.865 1.00 0.00 H new ATOM 0 HA THR A 76 -3.008 7.022 -2.934 1.00 0.00 H new ATOM 0 HB THR A 76 -1.484 8.364 -5.201 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.557 9.373 -5.621 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.147 7.250 -6.642 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.196 6.073 -5.705 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.859 6.470 -5.210 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.237 5.284 -2.808 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.256 4.206 -2.804 1.00 0.00 C ATOM 1198 C VAL A 77 -0.638 3.111 -3.794 1.00 0.00 C ATOM 1199 O VAL A 77 -1.493 2.272 -3.509 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.109 3.586 -1.402 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.888 4.377 -0.570 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.460 3.517 -0.706 1.00 0.00 C ATOM 0 H VAL A 77 -2.102 5.069 -2.312 1.00 0.00 H new ATOM 0 HA VAL A 77 0.697 4.644 -3.101 1.00 0.00 H new ATOM 0 HB VAL A 77 0.271 2.570 -1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.979 3.924 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.860 4.370 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.541 5.405 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.337 3.076 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.870 4.522 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.142 2.903 -1.295 1.00 0.00 H new ATOM 1212 N VAL A 78 0.001 3.126 -4.959 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.270 2.133 -5.993 1.00 0.00 C ATOM 1214 C VAL A 78 0.826 1.075 -6.040 1.00 0.00 C ATOM 1215 O VAL A 78 1.985 1.353 -5.733 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.397 2.788 -7.381 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.074 4.146 -7.271 1.00 0.00 C ATOM 1218 CG2 VAL A 78 0.971 2.916 -8.035 1.00 0.00 C ATOM 0 H VAL A 78 0.710 3.815 -5.211 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.217 1.659 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.018 2.150 -8.010 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.155 4.594 -8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.070 4.023 -6.846 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.483 4.796 -6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.864 3.381 -9.015 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.617 3.533 -7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.414 1.927 -8.149 1.00 0.00 H new ATOM 1228 N VAL A 79 0.452 -0.140 -6.427 1.00 0.00 N ATOM 1229 CA VAL A 79 1.403 -1.241 -6.516 1.00 0.00 C ATOM 1230 C VAL A 79 1.399 -1.860 -7.910 1.00 0.00 C ATOM 1231 O VAL A 79 0.507 -2.635 -8.252 1.00 0.00 O ATOM 1232 CB VAL A 79 1.093 -2.337 -5.479 1.00 0.00 C ATOM 1233 CG1 VAL A 79 1.356 -1.829 -4.070 1.00 0.00 C ATOM 1234 CG2 VAL A 79 -0.344 -2.814 -5.623 1.00 0.00 C ATOM 0 H VAL A 79 -0.504 -0.387 -6.684 1.00 0.00 H new ATOM 0 HA VAL A 79 2.389 -0.824 -6.309 1.00 0.00 H new ATOM 0 HB VAL A 79 1.754 -3.184 -5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.131 -2.617 -3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.403 -1.540 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.722 -0.965 -3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.546 -3.588 -4.883 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.023 -1.976 -5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.494 -3.220 -6.623 1.00 0.00 H new ATOM 1244 N GLU A 80 2.403 -1.512 -8.709 1.00 0.00 N ATOM 1245 CA GLU A 80 2.514 -2.033 -10.066 1.00 0.00 C ATOM 1246 C GLU A 80 3.379 -3.289 -10.097 1.00 0.00 C ATOM 1247 O GLU A 80 4.272 -3.461 -9.266 1.00 0.00 O ATOM 1248 CB GLU A 80 3.103 -0.971 -10.998 1.00 0.00 C ATOM 1249 CG GLU A 80 2.664 -1.120 -12.445 1.00 0.00 C ATOM 1250 CD GLU A 80 3.366 -0.146 -13.371 1.00 0.00 C ATOM 1251 OE1 GLU A 80 3.501 1.037 -12.994 1.00 0.00 O ATOM 1252 OE2 GLU A 80 3.781 -0.567 -14.471 1.00 0.00 O ATOM 0 H GLU A 80 3.150 -0.872 -8.440 1.00 0.00 H new ATOM 0 HA GLU A 80 1.513 -2.293 -10.411 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.813 0.016 -10.639 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.191 -1.021 -10.950 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.862 -2.139 -12.778 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.587 -0.967 -12.512 1.00 0.00 H new ATOM 1259 N ILE A 81 3.109 -4.163 -11.061 1.00 0.00 N ATOM 1260 CA ILE A 81 3.863 -5.403 -11.200 1.00 0.00 C ATOM 1261 C ILE A 81 4.618 -5.441 -12.525 1.00 0.00 C ATOM 1262 O ILE A 81 4.066 -5.830 -13.554 1.00 0.00 O ATOM 1263 CB ILE A 81 2.942 -6.635 -11.112 1.00 0.00 C ATOM 1264 CG1 ILE A 81 2.104 -6.582 -9.833 1.00 0.00 C ATOM 1265 CG2 ILE A 81 3.763 -7.914 -11.161 1.00 0.00 C ATOM 1266 CD1 ILE A 81 2.934 -6.515 -8.569 1.00 0.00 C ATOM 0 H ILE A 81 2.374 -4.035 -11.757 1.00 0.00 H new ATOM 0 HA ILE A 81 4.576 -5.433 -10.376 1.00 0.00 H new ATOM 0 HB ILE A 81 2.266 -6.627 -11.967 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.448 -5.712 -9.874 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.463 -7.463 -9.791 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.098 -8.776 -11.098 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.320 -7.953 -12.097 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.460 -7.931 -10.323 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.274 -6.480 -7.702 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.571 -7.397 -8.505 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.555 -5.620 -8.589 1.00 0.00 H new ATOM 1278 N ILE A 82 5.883 -5.036 -12.490 1.00 0.00 N ATOM 1279 CA ILE A 82 6.715 -5.026 -13.687 1.00 0.00 C ATOM 1280 C ILE A 82 7.796 -6.099 -13.613 1.00 0.00 C ATOM 1281 O ILE A 82 8.829 -5.911 -12.970 1.00 0.00 O ATOM 1282 CB ILE A 82 7.381 -3.654 -13.898 1.00 0.00 C ATOM 1283 CG1 ILE A 82 6.326 -2.547 -13.911 1.00 0.00 C ATOM 1284 CG2 ILE A 82 8.181 -3.648 -15.192 1.00 0.00 C ATOM 1285 CD1 ILE A 82 5.944 -2.059 -12.531 1.00 0.00 C ATOM 0 H ILE A 82 6.354 -4.711 -11.646 1.00 0.00 H new ATOM 0 HA ILE A 82 6.057 -5.234 -14.531 1.00 0.00 H new ATOM 0 HB ILE A 82 8.065 -3.467 -13.070 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.701 -1.706 -14.494 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.433 -2.913 -14.418 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.646 -2.672 -15.328 1.00 0.00 H new ATOM 0 HG22 ILE A 82 8.954 -4.415 -15.145 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.517 -3.853 -16.031 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.192 -1.275 -12.618 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.538 -2.888 -11.951 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.826 -1.662 -12.028 1.00 0.00 H new ATOM 1297 N LYS A 83 7.553 -7.223 -14.277 1.00 0.00 N ATOM 1298 CA LYS A 83 8.507 -8.326 -14.291 1.00 0.00 C ATOM 1299 C LYS A 83 8.567 -9.010 -12.928 1.00 0.00 C ATOM 1300 O LYS A 83 9.645 -9.352 -12.443 1.00 0.00 O ATOM 1301 CB LYS A 83 9.897 -7.821 -14.682 1.00 0.00 C ATOM 1302 CG LYS A 83 9.892 -6.905 -15.894 1.00 0.00 C ATOM 1303 CD LYS A 83 9.927 -7.696 -17.190 1.00 0.00 C ATOM 1304 CE LYS A 83 8.525 -8.032 -17.676 1.00 0.00 C ATOM 1305 NZ LYS A 83 7.974 -6.967 -18.559 1.00 0.00 N ATOM 0 H LYS A 83 6.703 -7.395 -14.813 1.00 0.00 H new ATOM 0 HA LYS A 83 8.172 -9.054 -15.029 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.332 -7.289 -13.836 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.541 -8.676 -14.886 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.001 -6.278 -15.873 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.753 -6.238 -15.851 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.450 -7.121 -17.954 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.492 -8.616 -17.041 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.545 -8.978 -18.217 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.867 -8.169 -16.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.018 -7.233 -18.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.931 -6.070 -18.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.588 -6.853 -19.390 1.00 0.00 H new ATOM 1319 N ALA A 84 7.403 -9.207 -12.318 1.00 0.00 N ATOM 1320 CA ALA A 84 7.325 -9.853 -11.013 1.00 0.00 C ATOM 1321 C ALA A 84 8.010 -9.011 -9.942 1.00 0.00 C ATOM 1322 O ALA A 84 8.665 -9.543 -9.046 1.00 0.00 O ATOM 1323 CB ALA A 84 7.944 -11.241 -11.074 1.00 0.00 C ATOM 0 H ALA A 84 6.502 -8.929 -12.706 1.00 0.00 H new ATOM 0 HA ALA A 84 6.273 -9.949 -10.744 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.879 -11.712 -10.093 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.407 -11.847 -11.804 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.990 -11.160 -11.369 1.00 0.00 H new ATOM 1329 N VAL A 85 7.855 -7.695 -10.041 1.00 0.00 N ATOM 1330 CA VAL A 85 8.459 -6.780 -9.080 1.00 0.00 C ATOM 1331 C VAL A 85 7.403 -5.903 -8.417 1.00 0.00 C ATOM 1332 O VAL A 85 6.386 -5.569 -9.028 1.00 0.00 O ATOM 1333 CB VAL A 85 9.513 -5.878 -9.749 1.00 0.00 C ATOM 1334 CG1 VAL A 85 8.848 -4.687 -10.423 1.00 0.00 C ATOM 1335 CG2 VAL A 85 10.544 -5.417 -8.730 1.00 0.00 C ATOM 0 H VAL A 85 7.316 -7.238 -10.777 1.00 0.00 H new ATOM 0 HA VAL A 85 8.945 -7.394 -8.322 1.00 0.00 H new ATOM 0 HB VAL A 85 10.027 -6.458 -10.516 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.609 -4.062 -10.890 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.152 -5.041 -11.184 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.306 -4.104 -9.679 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.281 -4.781 -9.220 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.048 -4.855 -7.939 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.043 -6.285 -8.299 1.00 0.00 H new ATOM 1345 N CYS A 86 7.649 -5.532 -7.166 1.00 0.00 N ATOM 1346 CA CYS A 86 6.719 -4.693 -6.419 1.00 0.00 C ATOM 1347 C CYS A 86 7.081 -3.218 -6.563 1.00 0.00 C ATOM 1348 O CYS A 86 8.041 -2.743 -5.955 1.00 0.00 O ATOM 1349 CB CYS A 86 6.715 -5.088 -4.942 1.00 0.00 C ATOM 1350 SG CYS A 86 5.180 -4.690 -4.075 1.00 0.00 S ATOM 0 H CYS A 86 8.485 -5.799 -6.647 1.00 0.00 H new ATOM 0 HA CYS A 86 5.721 -4.845 -6.830 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.897 -6.160 -4.863 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.543 -4.587 -4.441 1.00 0.00 H new ATOM 0 HG CYS A 86 5.273 -5.064 -2.834 1.00 0.00 H new ATOM 1356 N CYS A 87 6.308 -2.501 -7.371 1.00 0.00 N ATOM 1357 CA CYS A 87 6.549 -1.080 -7.597 1.00 0.00 C ATOM 1358 C CYS A 87 5.526 -0.230 -6.851 1.00 0.00 C ATOM 1359 O CYS A 87 4.364 -0.143 -7.253 1.00 0.00 O ATOM 1360 CB CYS A 87 6.500 -0.765 -9.093 1.00 0.00 C ATOM 1361 SG CYS A 87 7.460 0.691 -9.572 1.00 0.00 S ATOM 0 H CYS A 87 5.510 -2.880 -7.880 1.00 0.00 H new ATOM 0 HA CYS A 87 7.541 -0.839 -7.215 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.868 -1.628 -9.648 1.00 0.00 H new ATOM 0 HB3 CYS A 87 5.461 -0.616 -9.388 1.00 0.00 H new ATOM 0 HG CYS A 87 7.359 0.875 -10.855 1.00 0.00 H new ATOM 1367 N LEU A 88 5.963 0.395 -5.764 1.00 0.00 N ATOM 1368 CA LEU A 88 5.084 1.237 -4.960 1.00 0.00 C ATOM 1369 C LEU A 88 5.251 2.708 -5.331 1.00 0.00 C ATOM 1370 O LEU A 88 6.360 3.243 -5.305 1.00 0.00 O ATOM 1371 CB LEU A 88 5.376 1.039 -3.471 1.00 0.00 C ATOM 1372 CG LEU A 88 4.691 -0.156 -2.807 1.00 0.00 C ATOM 1373 CD1 LEU A 88 5.504 -1.423 -3.019 1.00 0.00 C ATOM 1374 CD2 LEU A 88 4.485 0.106 -1.322 1.00 0.00 C ATOM 0 H LEU A 88 6.921 0.335 -5.419 1.00 0.00 H new ATOM 0 HA LEU A 88 4.054 0.944 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.453 0.932 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.080 1.944 -2.940 1.00 0.00 H new ATOM 0 HG LEU A 88 3.714 -0.295 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.001 -2.263 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.600 -1.619 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.495 -1.297 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.996 -0.755 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.451 0.271 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.860 0.990 -1.192 1.00 0.00 H new ATOM 1386 N SER A 89 4.143 3.356 -5.673 1.00 0.00 N ATOM 1387 CA SER A 89 4.166 4.764 -6.051 1.00 0.00 C ATOM 1388 C SER A 89 3.318 5.597 -5.095 1.00 0.00 C ATOM 1389 O SER A 89 2.115 5.372 -4.958 1.00 0.00 O ATOM 1390 CB SER A 89 3.661 4.938 -7.484 1.00 0.00 C ATOM 1391 OG SER A 89 4.269 6.056 -8.107 1.00 0.00 O ATOM 0 H SER A 89 3.217 2.928 -5.696 1.00 0.00 H new ATOM 0 HA SER A 89 5.197 5.114 -5.993 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.873 4.037 -8.060 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.578 5.065 -7.478 1.00 0.00 H new ATOM 0 HG SER A 89 3.931 6.144 -9.022 1.00 0.00 H new ATOM 1397 N VAL A 90 3.953 6.560 -4.436 1.00 0.00 N ATOM 1398 CA VAL A 90 3.258 7.429 -3.493 1.00 0.00 C ATOM 1399 C VAL A 90 3.087 8.833 -4.062 1.00 0.00 C ATOM 1400 O VAL A 90 4.066 9.530 -4.327 1.00 0.00 O ATOM 1401 CB VAL A 90 4.010 7.518 -2.152 1.00 0.00 C ATOM 1402 CG1 VAL A 90 3.220 8.348 -1.151 1.00 0.00 C ATOM 1403 CG2 VAL A 90 4.287 6.127 -1.603 1.00 0.00 C ATOM 0 H VAL A 90 4.948 6.759 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 90 2.276 6.988 -3.321 1.00 0.00 H new ATOM 0 HB VAL A 90 4.966 8.013 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.767 8.400 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.078 9.355 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.248 7.885 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.819 6.209 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.344 5.604 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.897 5.570 -2.314 1.00 0.00 H new ATOM 1413 N VAL A 91 1.836 9.242 -4.248 1.00 0.00 N ATOM 1414 CA VAL A 91 1.536 10.564 -4.784 1.00 0.00 C ATOM 1415 C VAL A 91 0.678 11.369 -3.814 1.00 0.00 C ATOM 1416 O VAL A 91 -0.318 10.871 -3.288 1.00 0.00 O ATOM 1417 CB VAL A 91 0.808 10.469 -6.138 1.00 0.00 C ATOM 1418 CG1 VAL A 91 0.513 11.857 -6.685 1.00 0.00 C ATOM 1419 CG2 VAL A 91 1.632 9.660 -7.129 1.00 0.00 C ATOM 0 H VAL A 91 1.014 8.677 -4.035 1.00 0.00 H new ATOM 0 HA VAL A 91 2.490 11.071 -4.927 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.142 9.956 -5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.001 11.769 -7.642 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.119 12.399 -5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.448 12.400 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.103 9.603 -8.080 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.598 10.143 -7.279 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.786 8.654 -6.738 1.00 0.00 H new ATOM 1429 N LYS A 92 1.070 12.617 -3.581 1.00 0.00 N ATOM 1430 CA LYS A 92 0.337 13.494 -2.676 1.00 0.00 C ATOM 1431 C LYS A 92 -0.602 14.414 -3.451 1.00 0.00 C ATOM 1432 O LYS A 92 -0.156 15.290 -4.191 1.00 0.00 O ATOM 1433 CB LYS A 92 1.311 14.327 -1.840 1.00 0.00 C ATOM 1434 CG LYS A 92 0.712 14.843 -0.543 1.00 0.00 C ATOM 1435 CD LYS A 92 1.783 15.384 0.389 1.00 0.00 C ATOM 1436 CE LYS A 92 2.360 16.694 -0.126 1.00 0.00 C ATOM 1437 NZ LYS A 92 1.331 17.769 -0.183 1.00 0.00 N ATOM 0 H LYS A 92 1.892 13.044 -4.007 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.261 12.871 -2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.188 13.722 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.654 15.174 -2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.011 15.628 -0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.169 14.039 -0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.360 15.537 1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.581 14.649 0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.179 17.009 0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.780 16.540 -1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.799 18.693 -0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.712 17.614 -1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.762 17.752 0.688 1.00 0.00 H new ATOM 1451 N SER A 93 -1.903 14.209 -3.274 1.00 0.00 N ATOM 1452 CA SER A 93 -2.904 15.019 -3.958 1.00 0.00 C ATOM 1453 C SER A 93 -3.802 15.735 -2.954 1.00 0.00 C ATOM 1454 O SER A 93 -3.966 15.286 -1.820 1.00 0.00 O ATOM 1455 CB SER A 93 -3.752 14.144 -4.885 1.00 0.00 C ATOM 1456 OG SER A 93 -4.248 14.894 -5.980 1.00 0.00 O ATOM 0 H SER A 93 -2.289 13.489 -2.663 1.00 0.00 H new ATOM 0 HA SER A 93 -2.384 15.769 -4.553 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.153 13.311 -5.252 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.584 13.716 -4.326 1.00 0.00 H new ATOM 0 HG SER A 93 -4.785 14.313 -6.558 1.00 0.00 H new ATOM 1462 N GLY A 94 -4.382 16.853 -3.380 1.00 0.00 N ATOM 1463 CA GLY A 94 -5.256 17.615 -2.508 1.00 0.00 C ATOM 1464 C GLY A 94 -4.551 18.091 -1.253 1.00 0.00 C ATOM 1465 O GLY A 94 -3.506 17.568 -0.866 1.00 0.00 O ATOM 0 H GLY A 94 -4.262 17.245 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.645 18.476 -3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.112 17.000 -2.229 1.00 0.00 H new ATOM 1469 N PRO A 95 -5.127 19.109 -0.596 1.00 0.00 N ATOM 1470 CA PRO A 95 -4.564 19.679 0.631 1.00 0.00 C ATOM 1471 C PRO A 95 -4.671 18.725 1.816 1.00 0.00 C ATOM 1472 O PRO A 95 -5.298 17.670 1.721 1.00 0.00 O ATOM 1473 CB PRO A 95 -5.420 20.925 0.869 1.00 0.00 C ATOM 1474 CG PRO A 95 -6.715 20.630 0.193 1.00 0.00 C ATOM 1475 CD PRO A 95 -6.374 19.780 -1.000 1.00 0.00 C ATOM 0 HA PRO A 95 -3.499 19.889 0.531 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.562 21.110 1.934 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.949 21.815 0.451 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -7.395 20.106 0.864 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -7.214 21.549 -0.113 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -7.164 19.062 -1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -6.233 20.384 -1.896 1.00 0.00 H new ATOM 1483 N SER A 96 -4.054 19.102 2.931 1.00 0.00 N ATOM 1484 CA SER A 96 -4.077 18.278 4.134 1.00 0.00 C ATOM 1485 C SER A 96 -5.183 18.731 5.082 1.00 0.00 C ATOM 1486 O SER A 96 -4.949 19.525 5.993 1.00 0.00 O ATOM 1487 CB SER A 96 -2.724 18.338 4.845 1.00 0.00 C ATOM 1488 OG SER A 96 -1.792 17.458 4.243 1.00 0.00 O ATOM 0 H SER A 96 -3.532 19.973 3.027 1.00 0.00 H new ATOM 0 HA SER A 96 -4.277 17.249 3.836 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.339 19.357 4.814 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.850 18.076 5.896 1.00 0.00 H new ATOM 0 HG SER A 96 -0.935 17.516 4.715 1.00 0.00 H new ATOM 1494 N SER A 97 -6.390 18.221 4.860 1.00 0.00 N ATOM 1495 CA SER A 97 -7.535 18.575 5.691 1.00 0.00 C ATOM 1496 C SER A 97 -8.368 17.341 6.024 1.00 0.00 C ATOM 1497 O SER A 97 -8.326 16.339 5.311 1.00 0.00 O ATOM 1498 CB SER A 97 -8.404 19.615 4.982 1.00 0.00 C ATOM 1499 OG SER A 97 -9.171 19.020 3.950 1.00 0.00 O ATOM 0 H SER A 97 -6.601 17.561 4.111 1.00 0.00 H new ATOM 0 HA SER A 97 -7.159 18.999 6.622 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.067 20.092 5.703 1.00 0.00 H new ATOM 0 HB3 SER A 97 -7.771 20.398 4.564 1.00 0.00 H new ATOM 0 HG SER A 97 -9.719 19.705 3.513 1.00 0.00 H new ATOM 1505 N GLY A 98 -9.125 17.421 7.114 1.00 0.00 N ATOM 1506 CA GLY A 98 -9.957 16.305 7.523 1.00 0.00 C ATOM 1507 C GLY A 98 -10.907 15.859 6.429 1.00 0.00 C ATOM 1508 O GLY A 98 -10.943 14.681 6.072 1.00 0.00 O ATOM 0 H GLY A 98 -9.177 18.239 7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.321 15.468 7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.531 16.588 8.405 1.00 0.00 H new TER 1512 GLY A 98