USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 742 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 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -2.22! C(o=-2.2!,f=-2.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -157:sc= -0.814 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS :FLIP no HE2:sc= -0.462 F(o=-1.5,f=-0.46) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc= 0 F(o=-3.2,f=0) USER MOD Single : A 38 MET CE :methyl 161:sc= -3.31! (180deg=-4.96!) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 37:sc= 1.16 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= -0.0123 (180deg=-0.188) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0.141 X(o=0.14,f=-0.15) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.296 USER MOD Single : A 88 GLN : amide:sc= -3.95! C(o=-3.9!,f=-7.8!) USER MOD Single : A 90 ASN :FLIP amide:sc=-0.00535 F(o=-0.55,f=-0.0054) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 3 6.226 -1.526 -3.793 1.00 32.15 N ATOM 38 CA ALA A 3 7.008 -1.267 -4.995 1.00 74.02 C ATOM 39 C ALA A 3 6.108 -0.858 -6.157 1.00 5.42 C ATOM 40 O ALA A 3 4.967 -1.304 -6.277 1.00 64.04 O ATOM 41 CB ALA A 3 7.827 -2.494 -5.367 1.00 30.14 C ATOM 0 HA ALA A 3 7.687 -0.440 -4.786 1.00 74.02 H new ATOM 0 HB1 ALA A 3 8.406 -2.286 -6.267 1.00 30.14 H new ATOM 0 HB2 ALA A 3 8.504 -2.741 -4.549 1.00 30.14 H new ATOM 0 HB3 ALA A 3 7.159 -3.335 -5.552 1.00 30.14 H new ATOM 47 N PRO A 4 6.632 0.013 -7.033 1.00 33.02 N ATOM 48 CA PRO A 4 5.893 0.502 -8.201 1.00 34.15 C ATOM 49 C PRO A 4 5.687 -0.583 -9.252 1.00 74.01 C ATOM 50 O PRO A 4 6.302 -1.649 -9.208 1.00 51.43 O ATOM 51 CB PRO A 4 6.790 1.614 -8.748 1.00 42.14 C ATOM 52 CG PRO A 4 8.161 1.257 -8.286 1.00 14.55 C ATOM 53 CD PRO A 4 7.985 0.587 -6.951 1.00 65.42 C ATOM 0 HA PRO A 4 4.889 0.836 -7.938 1.00 34.15 H new ATOM 0 HB2 PRO A 4 6.739 1.664 -9.836 1.00 42.14 H new ATOM 0 HB3 PRO A 4 6.486 2.590 -8.369 1.00 42.14 H new ATOM 0 HG2 PRO A 4 8.651 0.591 -8.996 1.00 14.55 H new ATOM 0 HG3 PRO A 4 8.787 2.145 -8.198 1.00 14.55 H new ATOM 0 HD2 PRO A 4 8.739 -0.183 -6.785 1.00 65.42 H new ATOM 0 HD3 PRO A 4 8.070 1.299 -6.130 1.00 65.42 H new ATOM 61 N PRO A 5 4.801 -0.308 -10.221 1.00 62.25 N ATOM 62 CA PRO A 5 4.495 -1.249 -11.304 1.00 12.45 C ATOM 63 C PRO A 5 5.658 -1.411 -12.277 1.00 35.44 C ATOM 64 O PRO A 5 6.256 -0.429 -12.713 1.00 52.25 O ATOM 65 CB PRO A 5 3.297 -0.604 -12.005 1.00 53.10 C ATOM 66 CG PRO A 5 3.421 0.850 -11.707 1.00 40.54 C ATOM 67 CD PRO A 5 4.031 0.942 -10.336 1.00 65.12 C ATOM 0 HA PRO A 5 4.297 -2.253 -10.929 1.00 12.45 H new ATOM 0 HB2 PRO A 5 3.319 -0.791 -13.079 1.00 53.10 H new ATOM 0 HB3 PRO A 5 2.356 -1.006 -11.630 1.00 53.10 H new ATOM 0 HG2 PRO A 5 4.048 1.348 -12.447 1.00 40.54 H new ATOM 0 HG3 PRO A 5 2.447 1.338 -11.734 1.00 40.54 H new ATOM 0 HD2 PRO A 5 4.671 1.819 -10.239 1.00 65.12 H new ATOM 0 HD3 PRO A 5 3.268 1.017 -9.561 1.00 65.12 H new ATOM 75 N ALA A 6 5.972 -2.658 -12.612 1.00 70.33 N ATOM 76 CA ALA A 6 7.061 -2.949 -13.536 1.00 25.12 C ATOM 77 C ALA A 6 6.607 -2.802 -14.984 1.00 64.32 C ATOM 78 O ALA A 6 5.520 -3.248 -15.354 1.00 3.33 O ATOM 79 CB ALA A 6 7.602 -4.350 -13.290 1.00 4.34 C ATOM 0 H ALA A 6 5.488 -3.483 -12.257 1.00 70.33 H new ATOM 0 HA ALA A 6 7.858 -2.227 -13.358 1.00 25.12 H new ATOM 0 HB1 ALA A 6 8.415 -4.554 -13.987 1.00 4.34 H new ATOM 0 HB2 ALA A 6 7.974 -4.422 -12.268 1.00 4.34 H new ATOM 0 HB3 ALA A 6 6.805 -5.079 -13.438 1.00 4.34 H new ATOM 85 N THR A 7 7.446 -2.174 -15.802 1.00 5.01 N ATOM 86 CA THR A 7 7.130 -1.967 -17.209 1.00 45.35 C ATOM 87 C THR A 7 7.690 -3.094 -18.070 1.00 53.33 C ATOM 88 O THR A 7 8.716 -2.933 -18.731 1.00 45.14 O ATOM 89 CB THR A 7 7.686 -0.623 -17.718 1.00 64.31 C ATOM 90 OG1 THR A 7 7.332 0.428 -16.812 1.00 64.24 O ATOM 91 CG2 THR A 7 7.150 -0.306 -19.106 1.00 33.12 C ATOM 0 H THR A 7 8.350 -1.800 -15.513 1.00 5.01 H new ATOM 0 HA THR A 7 6.043 -1.957 -17.290 1.00 45.35 H new ATOM 0 HB THR A 7 8.772 -0.702 -17.775 1.00 64.31 H new ATOM 0 HG1 THR A 7 7.690 1.279 -17.142 1.00 64.24 H new ATOM 0 HG21 THR A 7 7.556 0.647 -19.444 1.00 33.12 H new ATOM 0 HG22 THR A 7 7.447 -1.093 -19.799 1.00 33.12 H new ATOM 0 HG23 THR A 7 6.062 -0.245 -19.071 1.00 33.12 H new ATOM 99 N LEU A 8 7.009 -4.234 -18.059 1.00 34.22 N ATOM 100 CA LEU A 8 7.437 -5.389 -18.840 1.00 24.21 C ATOM 101 C LEU A 8 7.055 -5.226 -20.308 1.00 22.34 C ATOM 102 O LEU A 8 5.881 -5.307 -20.665 1.00 54.41 O ATOM 103 CB LEU A 8 6.815 -6.669 -18.278 1.00 43.12 C ATOM 104 CG LEU A 8 6.915 -6.855 -16.764 1.00 12.22 C ATOM 105 CD1 LEU A 8 5.597 -6.497 -16.094 1.00 51.04 C ATOM 106 CD2 LEU A 8 7.315 -8.284 -16.427 1.00 4.30 C ATOM 0 H LEU A 8 6.158 -4.384 -17.518 1.00 34.22 H new ATOM 0 HA LEU A 8 8.523 -5.460 -18.772 1.00 24.21 H new ATOM 0 HB2 LEU A 8 5.762 -6.690 -18.558 1.00 43.12 H new ATOM 0 HB3 LEU A 8 7.291 -7.523 -18.761 1.00 43.12 H new ATOM 0 HG LEU A 8 7.686 -6.184 -16.385 1.00 12.22 H new ATOM 0 HD11 LEU A 8 5.687 -6.636 -15.017 1.00 51.04 H new ATOM 0 HD12 LEU A 8 5.351 -5.457 -16.307 1.00 51.04 H new ATOM 0 HD13 LEU A 8 4.807 -7.142 -16.478 1.00 51.04 H new ATOM 0 HD21 LEU A 8 7.381 -8.398 -15.345 1.00 4.30 H new ATOM 0 HD22 LEU A 8 6.567 -8.973 -16.819 1.00 4.30 H new ATOM 0 HD23 LEU A 8 8.283 -8.506 -16.875 1.00 4.30 H new ATOM 118 N GLU A 9 8.056 -4.999 -21.153 1.00 30.13 N ATOM 119 CA GLU A 9 7.824 -4.827 -22.582 1.00 13.51 C ATOM 120 C GLU A 9 7.709 -6.178 -23.282 1.00 11.25 C ATOM 121 O GLU A 9 7.691 -7.224 -22.634 1.00 71.22 O ATOM 122 CB GLU A 9 8.954 -4.009 -23.210 1.00 25.21 C ATOM 123 CG GLU A 9 8.799 -2.510 -23.021 1.00 2.52 C ATOM 124 CD GLU A 9 9.991 -1.883 -22.323 1.00 33.13 C ATOM 125 OE1 GLU A 9 10.564 -2.535 -21.425 1.00 71.45 O ATOM 126 OE2 GLU A 9 10.350 -0.740 -22.675 1.00 11.24 O ATOM 0 H GLU A 9 9.034 -4.930 -20.873 1.00 30.13 H new ATOM 0 HA GLU A 9 6.883 -4.291 -22.709 1.00 13.51 H new ATOM 0 HB2 GLU A 9 9.903 -4.325 -22.777 1.00 25.21 H new ATOM 0 HB3 GLU A 9 9.001 -4.229 -24.277 1.00 25.21 H new ATOM 0 HG2 GLU A 9 8.662 -2.037 -23.994 1.00 2.52 H new ATOM 0 HG3 GLU A 9 7.898 -2.312 -22.441 1.00 2.52 H new ATOM 133 N ALA A 10 7.631 -6.146 -24.608 1.00 31.12 N ATOM 134 CA ALA A 10 7.519 -7.367 -25.396 1.00 23.10 C ATOM 135 C ALA A 10 8.552 -7.393 -26.518 1.00 54.41 C ATOM 136 O ALA A 10 8.240 -7.081 -27.668 1.00 11.32 O ATOM 137 CB ALA A 10 6.115 -7.501 -25.965 1.00 73.32 C ATOM 0 H ALA A 10 7.643 -5.288 -25.159 1.00 31.12 H new ATOM 0 HA ALA A 10 7.714 -8.214 -24.738 1.00 23.10 H new ATOM 0 HB1 ALA A 10 6.046 -8.417 -26.551 1.00 73.32 H new ATOM 0 HB2 ALA A 10 5.394 -7.537 -25.149 1.00 73.32 H new ATOM 0 HB3 ALA A 10 5.898 -6.645 -26.603 1.00 73.32 H new ATOM 143 N ILE A 11 9.781 -7.765 -26.177 1.00 15.13 N ATOM 144 CA ILE A 11 10.858 -7.831 -27.156 1.00 51.12 C ATOM 145 C ILE A 11 10.666 -9.008 -28.106 1.00 20.41 C ATOM 146 O ILE A 11 9.777 -9.838 -27.912 1.00 53.10 O ATOM 147 CB ILE A 11 12.233 -7.955 -26.473 1.00 72.43 C ATOM 148 CG1 ILE A 11 12.348 -6.954 -25.323 1.00 14.44 C ATOM 149 CG2 ILE A 11 13.348 -7.738 -27.485 1.00 22.50 C ATOM 150 CD1 ILE A 11 12.851 -5.594 -25.753 1.00 51.32 C ATOM 0 H ILE A 11 10.055 -8.025 -25.230 1.00 15.13 H new ATOM 0 HA ILE A 11 10.826 -6.901 -27.723 1.00 51.12 H new ATOM 0 HB ILE A 11 12.330 -8.961 -26.065 1.00 72.43 H new ATOM 0 HG12 ILE A 11 11.371 -6.839 -24.853 1.00 14.44 H new ATOM 0 HG13 ILE A 11 13.020 -7.358 -24.566 1.00 14.44 H new ATOM 0 HG21 ILE A 11 14.314 -7.829 -26.988 1.00 22.50 H new ATOM 0 HG22 ILE A 11 13.274 -8.487 -28.274 1.00 22.50 H new ATOM 0 HG23 ILE A 11 13.256 -6.743 -27.920 1.00 22.50 H new ATOM 0 HD11 ILE A 11 12.907 -4.936 -24.886 1.00 51.32 H new ATOM 0 HD12 ILE A 11 13.842 -5.696 -26.196 1.00 51.32 H new ATOM 0 HD13 ILE A 11 12.167 -5.169 -26.487 1.00 51.32 H new ATOM 162 N HIS A 12 11.507 -9.077 -29.133 1.00 3.40 N ATOM 163 CA HIS A 12 11.432 -10.155 -30.113 1.00 1.45 C ATOM 164 C HIS A 12 11.479 -11.517 -29.426 1.00 44.53 C ATOM 165 O HIS A 12 11.720 -11.625 -28.224 1.00 4.22 O ATOM 166 CB HIS A 12 12.577 -10.038 -31.120 1.00 13.15 C ATOM 167 CG HIS A 12 12.129 -9.637 -32.491 1.00 41.43 C ATOM 168 ND1 HIS A 12 12.789 -10.019 -33.640 1.00 74.22 N ATOM 169 CD2 HIS A 12 11.080 -8.883 -32.895 1.00 14.01 C ATOM 170 CE1 HIS A 12 12.165 -9.517 -34.691 1.00 43.11 C ATOM 171 NE2 HIS A 12 11.125 -8.824 -34.266 1.00 55.41 N ATOM 0 H HIS A 12 12.249 -8.399 -29.308 1.00 3.40 H new ATOM 0 HA HIS A 12 10.483 -10.067 -30.642 1.00 1.45 H new ATOM 0 HB2 HIS A 12 13.299 -9.307 -30.754 1.00 13.15 H new ATOM 0 HB3 HIS A 12 13.095 -10.995 -31.181 1.00 13.15 H new ATOM 0 HD2 HIS A 12 10.344 -8.415 -32.258 1.00 14.01 H new ATOM 0 HE1 HIS A 12 12.456 -9.651 -35.722 1.00 43.11 H new ATOM 0 HE2 HIS A 12 10.462 -8.325 -34.860 1.00 55.41 H new ATOM 179 N PRO A 13 11.243 -12.582 -30.207 1.00 3.43 N ATOM 180 CA PRO A 13 11.253 -13.955 -29.695 1.00 63.44 C ATOM 181 C PRO A 13 12.654 -14.422 -29.314 1.00 61.05 C ATOM 182 O PRO A 13 12.915 -15.621 -29.214 1.00 35.14 O ATOM 183 CB PRO A 13 10.718 -14.776 -30.872 1.00 12.44 C ATOM 184 CG PRO A 13 11.043 -13.965 -32.078 1.00 44.42 C ATOM 185 CD PRO A 13 10.949 -12.527 -31.649 1.00 1.35 C ATOM 0 HA PRO A 13 10.663 -14.054 -28.784 1.00 63.44 H new ATOM 0 HB2 PRO A 13 11.189 -15.758 -30.916 1.00 12.44 H new ATOM 0 HB3 PRO A 13 9.644 -14.941 -30.784 1.00 12.44 H new ATOM 0 HG2 PRO A 13 12.042 -14.197 -32.447 1.00 44.42 H new ATOM 0 HG3 PRO A 13 10.347 -14.176 -32.889 1.00 44.42 H new ATOM 0 HD2 PRO A 13 11.665 -11.901 -32.182 1.00 1.35 H new ATOM 0 HD3 PRO A 13 9.959 -12.114 -31.842 1.00 1.35 H new ATOM 193 N LYS A 14 13.554 -13.467 -29.103 1.00 73.33 N ATOM 194 CA LYS A 14 14.929 -13.779 -28.732 1.00 34.55 C ATOM 195 C LYS A 14 15.325 -13.050 -27.452 1.00 45.53 C ATOM 196 O LYS A 14 16.508 -12.842 -27.186 1.00 25.31 O ATOM 197 CB LYS A 14 15.884 -13.400 -29.865 1.00 70.02 C ATOM 198 CG LYS A 14 16.149 -11.908 -29.964 1.00 13.43 C ATOM 199 CD LYS A 14 16.652 -11.520 -31.344 1.00 61.51 C ATOM 200 CE LYS A 14 16.946 -10.031 -31.432 1.00 45.25 C ATOM 201 NZ LYS A 14 16.591 -9.473 -32.767 1.00 22.51 N ATOM 0 H LYS A 14 13.355 -12.470 -29.183 1.00 73.33 H new ATOM 0 HA LYS A 14 14.996 -14.852 -28.554 1.00 34.55 H new ATOM 0 HB2 LYS A 14 16.831 -13.920 -29.720 1.00 70.02 H new ATOM 0 HB3 LYS A 14 15.470 -13.750 -30.810 1.00 70.02 H new ATOM 0 HG2 LYS A 14 15.233 -11.360 -29.742 1.00 13.43 H new ATOM 0 HG3 LYS A 14 16.884 -11.618 -29.213 1.00 13.43 H new ATOM 0 HD2 LYS A 14 17.555 -12.084 -31.575 1.00 61.51 H new ATOM 0 HD3 LYS A 14 15.907 -11.790 -32.093 1.00 61.51 H new ATOM 0 HE2 LYS A 14 16.388 -9.504 -30.658 1.00 45.25 H new ATOM 0 HE3 LYS A 14 18.004 -9.858 -31.236 1.00 45.25 H new ATOM 0 HZ1 LYS A 14 16.806 -8.456 -32.786 1.00 22.51 H new ATOM 0 HZ2 LYS A 14 17.142 -9.958 -33.504 1.00 22.51 H new ATOM 0 HZ3 LYS A 14 15.576 -9.615 -32.944 1.00 22.51 H new ATOM 215 N GLY A 15 14.328 -12.663 -26.663 1.00 12.21 N ATOM 216 CA GLY A 15 14.594 -11.962 -25.421 1.00 11.45 C ATOM 217 C GLY A 15 13.422 -11.112 -24.972 1.00 34.03 C ATOM 218 O GLY A 15 12.379 -11.084 -25.627 1.00 33.05 O ATOM 0 H GLY A 15 13.340 -12.823 -26.862 1.00 12.21 H new ATOM 0 HA2 GLY A 15 14.833 -12.687 -24.642 1.00 11.45 H new ATOM 0 HA3 GLY A 15 15.472 -11.328 -25.546 1.00 11.45 H new ATOM 222 N LEU A 16 13.590 -10.418 -23.851 1.00 64.44 N ATOM 223 CA LEU A 16 12.537 -9.565 -23.314 1.00 13.31 C ATOM 224 C LEU A 16 13.128 -8.392 -22.539 1.00 5.13 C ATOM 225 O LEU A 16 14.307 -8.402 -22.183 1.00 11.24 O ATOM 226 CB LEU A 16 11.610 -10.375 -22.406 1.00 72.11 C ATOM 227 CG LEU A 16 10.326 -9.674 -21.961 1.00 32.54 C ATOM 228 CD1 LEU A 16 9.575 -9.121 -23.162 1.00 62.30 C ATOM 229 CD2 LEU A 16 9.443 -10.630 -21.172 1.00 31.33 C ATOM 0 H LEU A 16 14.446 -10.430 -23.297 1.00 64.44 H new ATOM 0 HA LEU A 16 11.962 -9.170 -24.151 1.00 13.31 H new ATOM 0 HB2 LEU A 16 11.337 -11.294 -22.925 1.00 72.11 H new ATOM 0 HB3 LEU A 16 12.169 -10.666 -21.516 1.00 72.11 H new ATOM 0 HG LEU A 16 10.596 -8.841 -21.313 1.00 32.54 H new ATOM 0 HD11 LEU A 16 8.664 -8.626 -22.825 1.00 62.30 H new ATOM 0 HD12 LEU A 16 10.206 -8.403 -23.686 1.00 62.30 H new ATOM 0 HD13 LEU A 16 9.316 -9.937 -23.837 1.00 62.30 H new ATOM 0 HD21 LEU A 16 8.534 -10.114 -20.863 1.00 31.33 H new ATOM 0 HD22 LEU A 16 9.182 -11.484 -21.797 1.00 31.33 H new ATOM 0 HD23 LEU A 16 9.980 -10.977 -20.290 1.00 31.33 H new ATOM 241 N ARG A 17 12.302 -7.384 -22.279 1.00 3.20 N ATOM 242 CA ARG A 17 12.744 -6.204 -21.545 1.00 34.02 C ATOM 243 C ARG A 17 11.796 -5.897 -20.389 1.00 52.21 C ATOM 244 O ARG A 17 10.576 -5.958 -20.540 1.00 55.51 O ATOM 245 CB ARG A 17 12.831 -4.998 -22.481 1.00 50.53 C ATOM 246 CG ARG A 17 13.480 -3.779 -21.846 1.00 1.03 C ATOM 247 CD ARG A 17 13.101 -2.501 -22.577 1.00 14.33 C ATOM 248 NE ARG A 17 14.072 -2.152 -23.610 1.00 2.01 N ATOM 249 CZ ARG A 17 14.191 -0.934 -24.126 1.00 10.32 C ATOM 250 NH1 ARG A 17 13.404 0.047 -23.706 1.00 55.15 N ATOM 251 NH2 ARG A 17 15.099 -0.694 -25.063 1.00 24.40 N ATOM 0 H ARG A 17 11.323 -7.361 -22.566 1.00 3.20 H new ATOM 0 HA ARG A 17 13.733 -6.410 -21.137 1.00 34.02 H new ATOM 0 HB2 ARG A 17 13.397 -5.279 -23.370 1.00 50.53 H new ATOM 0 HB3 ARG A 17 11.827 -4.733 -22.813 1.00 50.53 H new ATOM 0 HG2 ARG A 17 13.176 -3.706 -20.802 1.00 1.03 H new ATOM 0 HG3 ARG A 17 14.564 -3.897 -21.855 1.00 1.03 H new ATOM 0 HD2 ARG A 17 12.117 -2.621 -23.030 1.00 14.33 H new ATOM 0 HD3 ARG A 17 13.024 -1.683 -21.861 1.00 14.33 H new ATOM 0 HE ARG A 17 14.693 -2.884 -23.954 1.00 2.01 H new ATOM 0 HH11 ARG A 17 12.705 -0.133 -22.985 1.00 55.15 H new ATOM 0 HH12 ARG A 17 13.497 0.982 -24.104 1.00 55.15 H new ATOM 0 HH21 ARG A 17 15.707 -1.446 -25.388 1.00 24.40 H new ATOM 0 HH22 ARG A 17 15.189 0.242 -25.458 1.00 24.40 H new ATOM 265 N VAL A 18 12.366 -5.567 -19.234 1.00 60.15 N ATOM 266 CA VAL A 18 11.573 -5.250 -18.053 1.00 53.11 C ATOM 267 C VAL A 18 12.255 -4.185 -17.202 1.00 44.24 C ATOM 268 O VAL A 18 13.252 -4.456 -16.532 1.00 51.44 O ATOM 269 CB VAL A 18 11.327 -6.501 -17.189 1.00 72.35 C ATOM 270 CG1 VAL A 18 10.709 -6.116 -15.854 1.00 51.31 C ATOM 271 CG2 VAL A 18 10.442 -7.493 -17.929 1.00 72.12 C ATOM 0 H VAL A 18 13.375 -5.512 -19.092 1.00 60.15 H new ATOM 0 HA VAL A 18 10.616 -4.869 -18.409 1.00 53.11 H new ATOM 0 HB VAL A 18 12.286 -6.980 -16.993 1.00 72.35 H new ATOM 0 HG11 VAL A 18 10.543 -7.013 -15.258 1.00 51.31 H new ATOM 0 HG12 VAL A 18 11.383 -5.446 -15.321 1.00 51.31 H new ATOM 0 HG13 VAL A 18 9.757 -5.613 -16.025 1.00 51.31 H new ATOM 0 HG21 VAL A 18 10.278 -8.371 -17.304 1.00 72.12 H new ATOM 0 HG22 VAL A 18 9.484 -7.026 -18.157 1.00 72.12 H new ATOM 0 HG23 VAL A 18 10.929 -7.794 -18.857 1.00 72.12 H new ATOM 281 N SER A 19 11.712 -2.972 -17.234 1.00 30.24 N ATOM 282 CA SER A 19 12.271 -1.864 -16.468 1.00 34.23 C ATOM 283 C SER A 19 11.250 -1.324 -15.471 1.00 11.31 C ATOM 284 O SER A 19 10.044 -1.506 -15.639 1.00 30.01 O ATOM 285 CB SER A 19 12.725 -0.745 -17.407 1.00 22.32 C ATOM 286 OG SER A 19 12.984 0.449 -16.689 1.00 63.13 O ATOM 0 H SER A 19 10.886 -2.732 -17.782 1.00 30.24 H new ATOM 0 HA SER A 19 13.133 -2.236 -15.914 1.00 34.23 H new ATOM 0 HB2 SER A 19 13.624 -1.055 -17.940 1.00 22.32 H new ATOM 0 HB3 SER A 19 11.957 -0.562 -18.158 1.00 22.32 H new ATOM 0 HG SER A 19 12.913 1.217 -17.294 1.00 63.13 H new ATOM 292 N VAL A 20 11.743 -0.657 -14.432 1.00 35.13 N ATOM 293 CA VAL A 20 10.875 -0.088 -13.407 1.00 71.32 C ATOM 294 C VAL A 20 11.382 1.276 -12.953 1.00 73.13 C ATOM 295 O VAL A 20 12.577 1.567 -12.994 1.00 63.15 O ATOM 296 CB VAL A 20 10.768 -1.017 -12.183 1.00 72.33 C ATOM 297 CG1 VAL A 20 10.274 -2.394 -12.600 1.00 22.54 C ATOM 298 CG2 VAL A 20 12.108 -1.115 -11.471 1.00 21.25 C ATOM 0 H VAL A 20 12.739 -0.497 -14.278 1.00 35.13 H new ATOM 0 HA VAL A 20 9.888 0.025 -13.855 1.00 71.32 H new ATOM 0 HB VAL A 20 10.043 -0.593 -11.488 1.00 72.33 H new ATOM 0 HG11 VAL A 20 10.205 -3.037 -11.722 1.00 22.54 H new ATOM 0 HG12 VAL A 20 9.291 -2.303 -13.062 1.00 22.54 H new ATOM 0 HG13 VAL A 20 10.972 -2.830 -13.315 1.00 22.54 H new ATOM 0 HG21 VAL A 20 12.014 -1.775 -10.609 1.00 21.25 H new ATOM 0 HG22 VAL A 20 12.855 -1.516 -12.156 1.00 21.25 H new ATOM 0 HG23 VAL A 20 12.416 -0.124 -11.138 1.00 21.25 H new ATOM 308 N PRO A 21 10.452 2.134 -12.509 1.00 0.54 N ATOM 309 CA PRO A 21 10.781 3.483 -12.037 1.00 32.11 C ATOM 310 C PRO A 21 11.538 3.465 -10.714 1.00 4.44 C ATOM 311 O PRO A 21 11.053 2.930 -9.717 1.00 1.54 O ATOM 312 CB PRO A 21 9.410 4.141 -11.860 1.00 21.24 C ATOM 313 CG PRO A 21 8.473 3.006 -11.627 1.00 12.53 C ATOM 314 CD PRO A 21 9.008 1.855 -12.432 1.00 23.23 C ATOM 0 HA PRO A 21 11.435 4.010 -12.732 1.00 32.11 H new ATOM 0 HB2 PRO A 21 9.409 4.834 -11.019 1.00 21.24 H new ATOM 0 HB3 PRO A 21 9.128 4.712 -12.744 1.00 21.24 H new ATOM 0 HG2 PRO A 21 8.424 2.752 -10.568 1.00 12.53 H new ATOM 0 HG3 PRO A 21 7.462 3.264 -11.940 1.00 12.53 H new ATOM 0 HD2 PRO A 21 8.809 0.899 -11.948 1.00 23.23 H new ATOM 0 HD3 PRO A 21 8.554 1.812 -13.422 1.00 23.23 H new ATOM 322 N ASP A 22 12.729 4.054 -10.711 1.00 64.34 N ATOM 323 CA ASP A 22 13.554 4.107 -9.510 1.00 33.05 C ATOM 324 C ASP A 22 13.092 5.228 -8.583 1.00 63.05 C ATOM 325 O ASP A 22 13.449 6.390 -8.775 1.00 22.10 O ATOM 326 CB ASP A 22 15.023 4.309 -9.882 1.00 24.42 C ATOM 327 CG ASP A 22 15.936 4.287 -8.671 1.00 75.41 C ATOM 328 OD1 ASP A 22 15.644 3.529 -7.722 1.00 64.50 O ATOM 329 OD2 ASP A 22 16.941 5.027 -8.673 1.00 21.22 O ATOM 0 H ASP A 22 13.145 4.502 -11.528 1.00 64.34 H new ATOM 0 HA ASP A 22 13.448 3.158 -8.985 1.00 33.05 H new ATOM 0 HB2 ASP A 22 15.329 3.528 -10.578 1.00 24.42 H new ATOM 0 HB3 ASP A 22 15.136 5.261 -10.401 1.00 24.42 H new ATOM 334 N GLU A 23 12.296 4.870 -7.581 1.00 3.44 N ATOM 335 CA GLU A 23 11.785 5.847 -6.626 1.00 51.45 C ATOM 336 C GLU A 23 12.776 6.065 -5.486 1.00 74.43 C ATOM 337 O GLU A 23 12.444 6.670 -4.468 1.00 33.42 O ATOM 338 CB GLU A 23 10.437 5.388 -6.065 1.00 44.34 C ATOM 339 CG GLU A 23 9.334 6.424 -6.207 1.00 65.31 C ATOM 340 CD GLU A 23 7.954 5.842 -5.972 1.00 61.45 C ATOM 341 OE1 GLU A 23 7.817 4.986 -5.073 1.00 72.11 O ATOM 342 OE2 GLU A 23 7.012 6.241 -6.688 1.00 33.22 O ATOM 0 H GLU A 23 11.991 3.912 -7.409 1.00 3.44 H new ATOM 0 HA GLU A 23 11.649 6.793 -7.151 1.00 51.45 H new ATOM 0 HB2 GLU A 23 10.133 4.474 -6.575 1.00 44.34 H new ATOM 0 HB3 GLU A 23 10.557 5.140 -5.010 1.00 44.34 H new ATOM 0 HG2 GLU A 23 9.508 7.234 -5.499 1.00 65.31 H new ATOM 0 HG3 GLU A 23 9.376 6.859 -7.206 1.00 65.31 H new ATOM 349 N GLY A 24 13.995 5.565 -5.666 1.00 52.31 N ATOM 350 CA GLY A 24 15.015 5.714 -4.645 1.00 63.11 C ATOM 351 C GLY A 24 15.579 4.382 -4.191 1.00 1.22 C ATOM 352 O GLY A 24 16.229 4.298 -3.148 1.00 40.05 O ATOM 0 H GLY A 24 14.294 5.060 -6.500 1.00 52.31 H new ATOM 0 HA2 GLY A 24 15.823 6.335 -5.031 1.00 63.11 H new ATOM 0 HA3 GLY A 24 14.593 6.238 -3.787 1.00 63.11 H new ATOM 356 N PHE A 25 15.329 3.338 -4.973 1.00 61.43 N ATOM 357 CA PHE A 25 15.814 2.002 -4.644 1.00 42.43 C ATOM 358 C PHE A 25 17.337 1.944 -4.715 1.00 43.34 C ATOM 359 O PHE A 25 17.979 2.841 -5.264 1.00 35.32 O ATOM 360 CB PHE A 25 15.208 0.968 -5.595 1.00 21.12 C ATOM 361 CG PHE A 25 13.708 0.913 -5.543 1.00 61.32 C ATOM 362 CD1 PHE A 25 13.060 0.295 -4.485 1.00 44.13 C ATOM 363 CD2 PHE A 25 12.946 1.479 -6.552 1.00 74.31 C ATOM 364 CE1 PHE A 25 11.680 0.242 -4.436 1.00 2.31 C ATOM 365 CE2 PHE A 25 11.565 1.429 -6.508 1.00 10.41 C ATOM 366 CZ PHE A 25 10.932 0.811 -5.448 1.00 14.13 C ATOM 0 H PHE A 25 14.793 3.391 -5.839 1.00 61.43 H new ATOM 0 HA PHE A 25 15.506 1.772 -3.624 1.00 42.43 H new ATOM 0 HB2 PHE A 25 15.520 1.196 -6.614 1.00 21.12 H new ATOM 0 HB3 PHE A 25 15.608 -0.016 -5.352 1.00 21.12 H new ATOM 0 HD1 PHE A 25 13.640 -0.150 -3.690 1.00 44.13 H new ATOM 0 HD2 PHE A 25 13.436 1.965 -7.383 1.00 74.31 H new ATOM 0 HE1 PHE A 25 11.187 -0.244 -3.607 1.00 2.31 H new ATOM 0 HE2 PHE A 25 10.982 1.873 -7.302 1.00 10.41 H new ATOM 0 HZ PHE A 25 9.853 0.773 -5.410 1.00 14.13 H new ATOM 376 N SER A 26 17.910 0.883 -4.156 1.00 71.03 N ATOM 377 CA SER A 26 19.358 0.709 -4.152 1.00 34.01 C ATOM 378 C SER A 26 19.745 -0.634 -4.764 1.00 43.41 C ATOM 379 O SER A 26 20.898 -0.847 -5.144 1.00 14.34 O ATOM 380 CB SER A 26 19.900 0.807 -2.725 1.00 11.13 C ATOM 381 OG SER A 26 21.244 0.363 -2.658 1.00 41.32 O ATOM 0 H SER A 26 17.394 0.131 -3.700 1.00 71.03 H new ATOM 0 HA SER A 26 19.797 1.504 -4.755 1.00 34.01 H new ATOM 0 HB2 SER A 26 19.837 1.839 -2.379 1.00 11.13 H new ATOM 0 HB3 SER A 26 19.282 0.208 -2.056 1.00 11.13 H new ATOM 0 HG SER A 26 21.567 0.437 -1.736 1.00 41.32 H new ATOM 387 N LEU A 27 18.775 -1.536 -4.857 1.00 62.31 N ATOM 388 CA LEU A 27 19.013 -2.860 -5.423 1.00 50.52 C ATOM 389 C LEU A 27 17.731 -3.438 -6.013 1.00 52.12 C ATOM 390 O LEU A 27 16.652 -3.298 -5.437 1.00 73.11 O ATOM 391 CB LEU A 27 19.566 -3.802 -4.353 1.00 32.13 C ATOM 392 CG LEU A 27 19.161 -5.271 -4.478 1.00 64.34 C ATOM 393 CD1 LEU A 27 17.683 -5.446 -4.169 1.00 73.34 C ATOM 394 CD2 LEU A 27 19.483 -5.796 -5.870 1.00 41.22 C ATOM 0 H LEU A 27 17.816 -1.376 -4.548 1.00 62.31 H new ATOM 0 HA LEU A 27 19.746 -2.760 -6.223 1.00 50.52 H new ATOM 0 HB2 LEU A 27 20.654 -3.743 -4.373 1.00 32.13 H new ATOM 0 HB3 LEU A 27 19.245 -3.439 -3.377 1.00 32.13 H new ATOM 0 HG LEU A 27 19.733 -5.849 -3.752 1.00 64.34 H new ATOM 0 HD11 LEU A 27 17.414 -6.498 -4.263 1.00 73.34 H new ATOM 0 HD12 LEU A 27 17.482 -5.110 -3.152 1.00 73.34 H new ATOM 0 HD13 LEU A 27 17.092 -4.856 -4.870 1.00 73.34 H new ATOM 0 HD21 LEU A 27 19.188 -6.843 -5.941 1.00 41.22 H new ATOM 0 HD22 LEU A 27 18.938 -5.214 -6.613 1.00 41.22 H new ATOM 0 HD23 LEU A 27 20.554 -5.707 -6.054 1.00 41.22 H new ATOM 406 N PHE A 28 17.857 -4.090 -7.164 1.00 53.13 N ATOM 407 CA PHE A 28 16.708 -4.691 -7.832 1.00 62.10 C ATOM 408 C PHE A 28 17.013 -6.126 -8.253 1.00 44.30 C ATOM 409 O PHE A 28 18.155 -6.463 -8.564 1.00 23.03 O ATOM 410 CB PHE A 28 16.311 -3.862 -9.055 1.00 61.22 C ATOM 411 CG PHE A 28 14.966 -4.227 -9.616 1.00 1.04 C ATOM 412 CD1 PHE A 28 13.890 -4.460 -8.774 1.00 63.02 C ATOM 413 CD2 PHE A 28 14.778 -4.337 -10.984 1.00 31.30 C ATOM 414 CE1 PHE A 28 12.651 -4.796 -9.287 1.00 2.54 C ATOM 415 CE2 PHE A 28 13.541 -4.672 -11.502 1.00 61.11 C ATOM 416 CZ PHE A 28 12.477 -4.903 -10.652 1.00 52.34 C ATOM 0 H PHE A 28 18.743 -4.216 -7.654 1.00 53.13 H new ATOM 0 HA PHE A 28 15.877 -4.707 -7.127 1.00 62.10 H new ATOM 0 HB2 PHE A 28 16.308 -2.806 -8.783 1.00 61.22 H new ATOM 0 HB3 PHE A 28 17.066 -3.989 -9.831 1.00 61.22 H new ATOM 0 HD1 PHE A 28 14.021 -4.378 -7.705 1.00 63.02 H new ATOM 0 HD2 PHE A 28 15.607 -4.159 -11.653 1.00 31.30 H new ATOM 0 HE1 PHE A 28 11.820 -4.975 -8.620 1.00 2.54 H new ATOM 0 HE2 PHE A 28 13.407 -4.753 -12.571 1.00 61.11 H new ATOM 0 HZ PHE A 28 11.510 -5.167 -11.055 1.00 52.34 H new ATOM 426 N ALA A 29 15.984 -6.966 -8.260 1.00 14.31 N ATOM 427 CA ALA A 29 16.140 -8.363 -8.644 1.00 22.24 C ATOM 428 C ALA A 29 15.006 -8.812 -9.559 1.00 12.33 C ATOM 429 O ALA A 29 13.914 -8.244 -9.534 1.00 34.10 O ATOM 430 CB ALA A 29 16.203 -9.246 -7.406 1.00 65.43 C ATOM 0 H ALA A 29 15.032 -6.703 -8.004 1.00 14.31 H new ATOM 0 HA ALA A 29 17.075 -8.460 -9.195 1.00 22.24 H new ATOM 0 HB1 ALA A 29 16.320 -10.287 -7.707 1.00 65.43 H new ATOM 0 HB2 ALA A 29 17.052 -8.949 -6.790 1.00 65.43 H new ATOM 0 HB3 ALA A 29 15.283 -9.135 -6.833 1.00 65.43 H new ATOM 436 N PHE A 30 15.272 -9.833 -10.366 1.00 72.11 N ATOM 437 CA PHE A 30 14.273 -10.357 -11.291 1.00 3.31 C ATOM 438 C PHE A 30 14.121 -11.866 -11.129 1.00 71.42 C ATOM 439 O PHE A 30 15.097 -12.613 -11.212 1.00 0.33 O ATOM 440 CB PHE A 30 14.659 -10.023 -12.734 1.00 31.35 C ATOM 441 CG PHE A 30 14.887 -8.558 -12.970 1.00 1.44 C ATOM 442 CD1 PHE A 30 15.900 -7.885 -12.305 1.00 15.32 C ATOM 443 CD2 PHE A 30 14.089 -7.853 -13.856 1.00 13.31 C ATOM 444 CE1 PHE A 30 16.112 -6.536 -12.520 1.00 25.10 C ATOM 445 CE2 PHE A 30 14.297 -6.504 -14.075 1.00 62.24 C ATOM 446 CZ PHE A 30 15.309 -5.845 -13.406 1.00 5.23 C ATOM 0 H PHE A 30 16.171 -10.314 -10.399 1.00 72.11 H new ATOM 0 HA PHE A 30 13.317 -9.887 -11.060 1.00 3.31 H new ATOM 0 HB2 PHE A 30 15.565 -10.570 -12.995 1.00 31.35 H new ATOM 0 HB3 PHE A 30 13.872 -10.372 -13.402 1.00 31.35 H new ATOM 0 HD1 PHE A 30 16.531 -8.421 -11.611 1.00 15.32 H new ATOM 0 HD2 PHE A 30 13.295 -8.363 -14.382 1.00 13.31 H new ATOM 0 HE1 PHE A 30 16.905 -6.023 -11.996 1.00 25.10 H new ATOM 0 HE2 PHE A 30 13.668 -5.966 -14.769 1.00 62.24 H new ATOM 0 HZ PHE A 30 15.472 -4.791 -13.575 1.00 5.23 H new ATOM 456 N HIS A 31 12.889 -12.309 -10.898 1.00 22.43 N ATOM 457 CA HIS A 31 12.608 -13.730 -10.724 1.00 73.12 C ATOM 458 C HIS A 31 11.206 -14.071 -11.222 1.00 2.04 C ATOM 459 O HIS A 31 10.257 -14.132 -10.441 1.00 4.41 O ATOM 460 CB HIS A 31 12.749 -14.124 -9.254 1.00 4.34 C ATOM 461 CG HIS A 31 14.082 -14.721 -8.919 1.00 54.30 C ATOM 462 ND1 HIS A 31 14.978 -14.402 -7.957 1.00 52.22 N flip ATOM 463 CD2 HIS A 31 14.629 -15.778 -9.615 1.00 2.45 C flip ATOM 464 CE1 HIS A 31 16.039 -15.264 -8.086 1.00 65.22 C flip ATOM 465 NE2 HIS A 31 15.803 -16.084 -9.094 1.00 43.45 N flip ATOM 0 H HIS A 31 12.070 -11.705 -10.827 1.00 22.43 H new ATOM 0 HA HIS A 31 13.332 -14.293 -11.314 1.00 73.12 H new ATOM 0 HB2 HIS A 31 12.588 -13.243 -8.633 1.00 4.34 H new ATOM 0 HB3 HIS A 31 11.966 -14.839 -9.001 1.00 4.34 H new ATOM 0 HD1 HIS A 31 14.883 -13.659 -7.264 1.00 52.22 H new ATOM 0 HD2 HIS A 31 14.169 -16.278 -10.455 1.00 2.45 H new ATOM 0 HE1 HIS A 31 16.922 -15.270 -7.465 1.00 65.22 H new ATOM 473 N GLY A 32 11.084 -14.292 -12.527 1.00 70.11 N ATOM 474 CA GLY A 32 9.795 -14.623 -13.106 1.00 0.01 C ATOM 475 C GLY A 32 9.913 -15.581 -14.275 1.00 1.13 C ATOM 476 O GLY A 32 11.017 -15.904 -14.714 1.00 21.03 O ATOM 0 H GLY A 32 11.855 -14.248 -13.194 1.00 70.11 H new ATOM 0 HA2 GLY A 32 9.159 -15.066 -12.340 1.00 0.01 H new ATOM 0 HA3 GLY A 32 9.304 -13.708 -13.438 1.00 0.01 H new ATOM 480 N LYS A 33 8.773 -16.039 -14.780 1.00 54.51 N ATOM 481 CA LYS A 33 8.751 -16.966 -15.905 1.00 3.00 C ATOM 482 C LYS A 33 7.767 -16.502 -16.974 1.00 32.32 C ATOM 483 O LYS A 33 7.334 -15.349 -16.976 1.00 5.23 O ATOM 484 CB LYS A 33 8.377 -18.371 -15.427 1.00 44.12 C ATOM 485 CG LYS A 33 8.983 -18.738 -14.084 1.00 2.35 C ATOM 486 CD LYS A 33 7.925 -19.228 -13.110 1.00 31.41 C ATOM 487 CE LYS A 33 7.512 -20.661 -13.411 1.00 54.13 C ATOM 488 NZ LYS A 33 8.505 -21.644 -12.897 1.00 73.44 N ATOM 0 H LYS A 33 7.851 -15.783 -14.427 1.00 54.51 H new ATOM 0 HA LYS A 33 9.749 -16.991 -16.342 1.00 3.00 H new ATOM 0 HB2 LYS A 33 7.292 -18.446 -15.359 1.00 44.12 H new ATOM 0 HB3 LYS A 33 8.700 -19.097 -16.173 1.00 44.12 H new ATOM 0 HG2 LYS A 33 9.737 -19.513 -14.224 1.00 2.35 H new ATOM 0 HG3 LYS A 33 9.492 -17.870 -13.664 1.00 2.35 H new ATOM 0 HD2 LYS A 33 8.309 -19.165 -12.092 1.00 31.41 H new ATOM 0 HD3 LYS A 33 7.052 -18.578 -13.162 1.00 31.41 H new ATOM 0 HE2 LYS A 33 6.539 -20.860 -12.963 1.00 54.13 H new ATOM 0 HE3 LYS A 33 7.399 -20.788 -14.488 1.00 54.13 H new ATOM 0 HZ1 LYS A 33 8.187 -22.608 -13.122 1.00 73.44 H new ATOM 0 HZ2 LYS A 33 9.428 -21.471 -13.343 1.00 73.44 H new ATOM 0 HZ3 LYS A 33 8.594 -21.541 -11.866 1.00 73.44 H new ATOM 502 N LEU A 34 7.415 -17.407 -17.880 1.00 60.52 N ATOM 503 CA LEU A 34 6.480 -17.092 -18.954 1.00 55.40 C ATOM 504 C LEU A 34 5.328 -18.091 -18.985 1.00 20.42 C ATOM 505 O LEU A 34 5.502 -19.264 -18.656 1.00 44.00 O ATOM 506 CB LEU A 34 7.202 -17.087 -20.302 1.00 64.31 C ATOM 507 CG LEU A 34 6.341 -16.767 -21.524 1.00 63.45 C ATOM 508 CD1 LEU A 34 6.035 -15.279 -21.587 1.00 62.11 C ATOM 509 CD2 LEU A 34 7.034 -17.225 -22.800 1.00 23.34 C ATOM 0 H LEU A 34 7.763 -18.366 -17.892 1.00 60.52 H new ATOM 0 HA LEU A 34 6.071 -16.100 -18.765 1.00 55.40 H new ATOM 0 HB2 LEU A 34 8.013 -16.361 -20.254 1.00 64.31 H new ATOM 0 HB3 LEU A 34 7.659 -18.066 -20.451 1.00 64.31 H new ATOM 0 HG LEU A 34 5.399 -17.307 -21.432 1.00 63.45 H new ATOM 0 HD11 LEU A 34 5.421 -15.071 -22.463 1.00 62.11 H new ATOM 0 HD12 LEU A 34 5.497 -14.980 -20.688 1.00 62.11 H new ATOM 0 HD13 LEU A 34 6.967 -14.718 -21.655 1.00 62.11 H new ATOM 0 HD21 LEU A 34 6.407 -16.989 -23.660 1.00 23.34 H new ATOM 0 HD22 LEU A 34 7.991 -16.713 -22.898 1.00 23.34 H new ATOM 0 HD23 LEU A 34 7.201 -18.301 -22.757 1.00 23.34 H new ATOM 521 N ASN A 35 4.152 -17.619 -19.384 1.00 74.21 N ATOM 522 CA ASN A 35 2.971 -18.472 -19.460 1.00 22.53 C ATOM 523 C ASN A 35 2.951 -19.476 -18.311 1.00 21.12 C ATOM 524 O ASN A 35 2.464 -20.596 -18.461 1.00 54.10 O ATOM 525 CB ASN A 35 2.936 -19.212 -20.799 1.00 30.24 C ATOM 526 CG ASN A 35 2.386 -18.352 -21.920 1.00 44.11 C ATOM 527 OD1 ASN A 35 2.874 -17.120 -22.014 1.00 53.25 O flip ATOM 528 ND2 ASN A 35 1.534 -18.790 -22.692 1.00 62.42 N flip ATOM 0 H ASN A 35 3.991 -16.650 -19.660 1.00 74.21 H new ATOM 0 HA ASN A 35 2.089 -17.837 -19.380 1.00 22.53 H new ATOM 0 HB2 ASN A 35 3.943 -19.539 -21.057 1.00 30.24 H new ATOM 0 HB3 ASN A 35 2.325 -20.109 -20.699 1.00 30.24 H new ATOM 0 HD21 ASN A 35 1.188 -19.743 -22.582 1.00 62.42 H new ATOM 0 HD22 ASN A 35 1.174 -18.200 -23.442 1.00 62.42 H new ATOM 535 N GLU A 36 3.484 -19.066 -17.164 1.00 54.50 N ATOM 536 CA GLU A 36 3.527 -19.929 -15.990 1.00 34.30 C ATOM 537 C GLU A 36 3.763 -19.113 -14.722 1.00 74.14 C ATOM 538 O GLU A 36 4.626 -18.237 -14.688 1.00 61.13 O ATOM 539 CB GLU A 36 4.626 -20.982 -16.144 1.00 22.11 C ATOM 540 CG GLU A 36 4.640 -22.015 -15.029 1.00 43.24 C ATOM 541 CD GLU A 36 5.720 -23.063 -15.219 1.00 12.22 C ATOM 542 OE1 GLU A 36 6.741 -22.751 -15.866 1.00 43.03 O ATOM 543 OE2 GLU A 36 5.543 -24.194 -14.720 1.00 44.14 O ATOM 0 H GLU A 36 3.892 -18.142 -17.023 1.00 54.50 H new ATOM 0 HA GLU A 36 2.563 -20.430 -15.904 1.00 34.30 H new ATOM 0 HB2 GLU A 36 4.498 -21.492 -17.099 1.00 22.11 H new ATOM 0 HB3 GLU A 36 5.594 -20.482 -16.177 1.00 22.11 H new ATOM 0 HG2 GLU A 36 4.791 -21.512 -14.074 1.00 43.24 H new ATOM 0 HG3 GLU A 36 3.668 -22.505 -14.980 1.00 43.24 H new ATOM 550 N GLU A 37 2.988 -19.408 -13.683 1.00 52.40 N ATOM 551 CA GLU A 37 3.112 -18.700 -12.414 1.00 74.20 C ATOM 552 C GLU A 37 3.778 -19.582 -11.362 1.00 71.31 C ATOM 553 O GLU A 37 3.812 -20.805 -11.494 1.00 31.41 O ATOM 554 CB GLU A 37 1.736 -18.249 -11.920 1.00 34.02 C ATOM 555 CG GLU A 37 0.841 -19.395 -11.479 1.00 24.54 C ATOM 556 CD GLU A 37 -0.050 -19.024 -10.309 1.00 45.32 C ATOM 557 OE1 GLU A 37 0.459 -18.408 -9.349 1.00 22.32 O ATOM 558 OE2 GLU A 37 -1.254 -19.348 -10.354 1.00 34.11 O ATOM 0 H GLU A 37 2.269 -20.131 -13.695 1.00 52.40 H new ATOM 0 HA GLU A 37 3.738 -17.822 -12.576 1.00 74.20 H new ATOM 0 HB2 GLU A 37 1.867 -17.560 -11.086 1.00 34.02 H new ATOM 0 HB3 GLU A 37 1.237 -17.695 -12.716 1.00 34.02 H new ATOM 0 HG2 GLU A 37 0.220 -19.709 -12.318 1.00 24.54 H new ATOM 0 HG3 GLU A 37 1.460 -20.249 -11.203 1.00 24.54 H new ATOM 565 N MET A 38 4.307 -18.952 -10.319 1.00 1.23 N ATOM 566 CA MET A 38 4.972 -19.679 -9.244 1.00 0.14 C ATOM 567 C MET A 38 4.163 -19.601 -7.953 1.00 0.42 C ATOM 568 O MET A 38 3.114 -18.960 -7.906 1.00 53.30 O ATOM 569 CB MET A 38 6.377 -19.119 -9.013 1.00 61.24 C ATOM 570 CG MET A 38 6.432 -17.600 -9.004 1.00 62.14 C ATOM 571 SD MET A 38 7.035 -16.918 -10.561 1.00 1.33 S ATOM 572 CE MET A 38 8.740 -16.566 -10.138 1.00 52.12 C ATOM 0 H MET A 38 4.288 -17.940 -10.195 1.00 1.23 H new ATOM 0 HA MET A 38 5.050 -20.725 -9.541 1.00 0.14 H new ATOM 0 HB2 MET A 38 6.757 -19.494 -8.063 1.00 61.24 H new ATOM 0 HB3 MET A 38 7.041 -19.494 -9.792 1.00 61.24 H new ATOM 0 HG2 MET A 38 5.437 -17.205 -8.800 1.00 62.14 H new ATOM 0 HG3 MET A 38 7.079 -17.268 -8.192 1.00 62.14 H new ATOM 0 HE1 MET A 38 9.328 -16.464 -11.050 1.00 52.12 H new ATOM 0 HE2 MET A 38 8.789 -15.638 -9.569 1.00 52.12 H new ATOM 0 HE3 MET A 38 9.142 -17.382 -9.537 1.00 52.12 H new ATOM 648 N GLY A 44 11.559 -18.018 -10.188 1.00 55.40 N ATOM 649 CA GLY A 44 11.112 -18.638 -11.422 1.00 13.43 C ATOM 650 C GLY A 44 12.264 -19.016 -12.331 1.00 0.01 C ATOM 651 O GLY A 44 13.144 -19.786 -11.943 1.00 54.21 O ATOM 0 HA2 GLY A 44 10.531 -19.530 -11.187 1.00 13.43 H new ATOM 0 HA3 GLY A 44 10.447 -17.954 -11.949 1.00 13.43 H new ATOM 655 N HIS A 45 12.260 -18.475 -13.545 1.00 71.33 N ATOM 656 CA HIS A 45 13.313 -18.762 -14.513 1.00 53.23 C ATOM 657 C HIS A 45 14.326 -17.623 -14.566 1.00 44.33 C ATOM 658 O HIS A 45 15.474 -17.781 -14.150 1.00 0.32 O ATOM 659 CB HIS A 45 12.711 -18.990 -15.900 1.00 42.33 C ATOM 660 CG HIS A 45 13.102 -20.298 -16.515 1.00 31.41 C ATOM 661 ND1 HIS A 45 12.459 -21.485 -16.232 1.00 12.25 N ATOM 662 CD2 HIS A 45 14.076 -20.603 -17.404 1.00 74.24 C ATOM 663 CE1 HIS A 45 13.021 -22.463 -16.919 1.00 2.03 C ATOM 664 NE2 HIS A 45 14.005 -21.954 -17.639 1.00 33.42 N ATOM 0 H HIS A 45 11.540 -17.836 -13.882 1.00 71.33 H new ATOM 0 HA HIS A 45 13.828 -19.669 -14.195 1.00 53.23 H new ATOM 0 HB2 HIS A 45 11.624 -18.942 -15.828 1.00 42.33 H new ATOM 0 HB3 HIS A 45 13.022 -18.180 -16.560 1.00 42.33 H new ATOM 0 HD2 HIS A 45 14.778 -19.912 -17.846 1.00 74.24 H new ATOM 0 HE1 HIS A 45 12.726 -23.502 -16.896 1.00 2.03 H new ATOM 0 HE2 HIS A 45 14.613 -22.479 -18.267 1.00 33.42 H new ATOM 672 N TRP A 46 13.895 -16.477 -15.081 1.00 60.24 N ATOM 673 CA TRP A 46 14.766 -15.312 -15.189 1.00 72.15 C ATOM 674 C TRP A 46 15.307 -14.908 -13.822 1.00 54.04 C ATOM 675 O TRP A 46 14.635 -14.214 -13.059 1.00 51.24 O ATOM 676 CB TRP A 46 14.009 -14.141 -15.819 1.00 23.11 C ATOM 677 CG TRP A 46 13.461 -14.451 -17.179 1.00 50.40 C ATOM 678 CD1 TRP A 46 14.156 -14.928 -18.254 1.00 14.14 C ATOM 679 CD2 TRP A 46 12.104 -14.302 -17.610 1.00 33.22 C ATOM 680 NE1 TRP A 46 13.312 -15.085 -19.327 1.00 32.14 N ATOM 681 CE2 TRP A 46 12.047 -14.709 -18.957 1.00 65.13 C ATOM 682 CE3 TRP A 46 10.930 -13.867 -16.988 1.00 61.42 C ATOM 683 CZ2 TRP A 46 10.864 -14.692 -19.691 1.00 43.30 C ATOM 684 CZ3 TRP A 46 9.757 -13.850 -17.718 1.00 33.51 C ATOM 685 CH2 TRP A 46 9.730 -14.261 -19.057 1.00 65.23 C ATOM 0 H TRP A 46 12.948 -16.330 -15.430 1.00 60.24 H new ATOM 0 HA TRP A 46 15.609 -15.577 -15.828 1.00 72.15 H new ATOM 0 HB2 TRP A 46 13.189 -13.852 -15.162 1.00 23.11 H new ATOM 0 HB3 TRP A 46 14.677 -13.283 -15.891 1.00 23.11 H new ATOM 0 HD1 TRP A 46 15.213 -15.149 -18.260 1.00 14.14 H new ATOM 0 HE1 TRP A 46 13.583 -15.426 -20.249 1.00 32.14 H new ATOM 0 HE3 TRP A 46 10.940 -13.550 -15.956 1.00 61.42 H new ATOM 0 HZ2 TRP A 46 10.842 -15.008 -20.724 1.00 43.30 H new ATOM 0 HZ3 TRP A 46 8.845 -13.514 -17.248 1.00 33.51 H new ATOM 0 HH2 TRP A 46 8.796 -14.237 -19.600 1.00 65.23 H new ATOM 696 N SER A 47 16.524 -15.346 -13.519 1.00 62.42 N ATOM 697 CA SER A 47 17.153 -15.033 -12.242 1.00 4.33 C ATOM 698 C SER A 47 18.301 -14.046 -12.429 1.00 44.54 C ATOM 699 O SER A 47 19.376 -14.410 -12.907 1.00 52.34 O ATOM 700 CB SER A 47 17.668 -16.310 -11.575 1.00 61.13 C ATOM 701 OG SER A 47 18.736 -16.877 -12.315 1.00 53.31 O ATOM 0 H SER A 47 17.094 -15.919 -14.141 1.00 62.42 H new ATOM 0 HA SER A 47 16.402 -14.573 -11.599 1.00 4.33 H new ATOM 0 HB2 SER A 47 18.002 -16.086 -10.562 1.00 61.13 H new ATOM 0 HB3 SER A 47 16.856 -17.033 -11.490 1.00 61.13 H new ATOM 0 HG SER A 47 19.297 -16.161 -12.680 1.00 53.31 H new ATOM 707 N ARG A 48 18.065 -12.794 -12.050 1.00 23.04 N ATOM 708 CA ARG A 48 19.078 -11.753 -12.177 1.00 20.03 C ATOM 709 C ARG A 48 18.957 -10.736 -11.046 1.00 52.41 C ATOM 710 O ARG A 48 17.928 -10.660 -10.373 1.00 45.24 O ATOM 711 CB ARG A 48 18.948 -11.048 -13.528 1.00 1.30 C ATOM 712 CG ARG A 48 20.284 -10.720 -14.175 1.00 12.32 C ATOM 713 CD ARG A 48 20.431 -9.227 -14.422 1.00 4.52 C ATOM 714 NE ARG A 48 21.346 -8.942 -15.525 1.00 14.14 N ATOM 715 CZ ARG A 48 22.664 -8.861 -15.384 1.00 10.30 C ATOM 716 NH1 ARG A 48 23.219 -9.042 -14.194 1.00 5.12 N ATOM 717 NH2 ARG A 48 23.430 -8.598 -16.435 1.00 74.14 N ATOM 0 H ARG A 48 17.181 -12.476 -11.652 1.00 23.04 H new ATOM 0 HA ARG A 48 20.058 -12.225 -12.114 1.00 20.03 H new ATOM 0 HB2 ARG A 48 18.372 -11.680 -14.204 1.00 1.30 H new ATOM 0 HB3 ARG A 48 18.383 -10.126 -13.394 1.00 1.30 H new ATOM 0 HG2 ARG A 48 21.095 -11.065 -13.534 1.00 12.32 H new ATOM 0 HG3 ARG A 48 20.374 -11.257 -15.119 1.00 12.32 H new ATOM 0 HD2 ARG A 48 19.453 -8.798 -14.642 1.00 4.52 H new ATOM 0 HD3 ARG A 48 20.795 -8.744 -13.515 1.00 4.52 H new ATOM 0 HE ARG A 48 20.951 -8.797 -16.454 1.00 14.14 H new ATOM 0 HH11 ARG A 48 22.633 -9.244 -13.384 1.00 5.12 H new ATOM 0 HH12 ARG A 48 24.232 -8.979 -14.089 1.00 5.12 H new ATOM 0 HH21 ARG A 48 23.007 -8.458 -17.352 1.00 74.14 H new ATOM 0 HH22 ARG A 48 24.442 -8.536 -16.326 1.00 74.14 H new ATOM 731 N ASP A 49 20.013 -9.956 -10.843 1.00 22.32 N ATOM 732 CA ASP A 49 20.025 -8.943 -9.794 1.00 44.11 C ATOM 733 C ASP A 49 20.802 -7.708 -10.241 1.00 22.34 C ATOM 734 O ASP A 49 22.003 -7.780 -10.503 1.00 2.02 O ATOM 735 CB ASP A 49 20.639 -9.511 -8.513 1.00 73.14 C ATOM 736 CG ASP A 49 22.115 -9.191 -8.387 1.00 62.11 C ATOM 737 OD1 ASP A 49 22.445 -8.129 -7.820 1.00 41.54 O ATOM 738 OD2 ASP A 49 22.941 -10.003 -8.856 1.00 12.24 O ATOM 0 H ASP A 49 20.872 -10.006 -11.391 1.00 22.32 H new ATOM 0 HA ASP A 49 18.994 -8.650 -9.594 1.00 44.11 H new ATOM 0 HB2 ASP A 49 20.108 -9.109 -7.650 1.00 73.14 H new ATOM 0 HB3 ASP A 49 20.502 -10.592 -8.496 1.00 73.14 H new ATOM 743 N ILE A 50 20.109 -6.578 -10.326 1.00 33.13 N ATOM 744 CA ILE A 50 20.734 -5.328 -10.740 1.00 72.35 C ATOM 745 C ILE A 50 21.118 -4.479 -9.534 1.00 11.22 C ATOM 746 O ILE A 50 20.255 -3.988 -8.805 1.00 72.21 O ATOM 747 CB ILE A 50 19.803 -4.510 -11.655 1.00 43.10 C ATOM 748 CG1 ILE A 50 19.326 -5.365 -12.830 1.00 72.42 C ATOM 749 CG2 ILE A 50 20.516 -3.263 -12.156 1.00 1.41 C ATOM 750 CD1 ILE A 50 20.409 -5.657 -13.845 1.00 40.41 C ATOM 0 H ILE A 50 19.114 -6.502 -10.114 1.00 33.13 H new ATOM 0 HA ILE A 50 21.634 -5.594 -11.295 1.00 72.35 H new ATOM 0 HB ILE A 50 18.931 -4.200 -11.078 1.00 43.10 H new ATOM 0 HG12 ILE A 50 18.935 -6.308 -12.447 1.00 72.42 H new ATOM 0 HG13 ILE A 50 18.501 -4.856 -13.328 1.00 72.42 H new ATOM 0 HG21 ILE A 50 19.846 -2.695 -12.801 1.00 1.41 H new ATOM 0 HG22 ILE A 50 20.811 -2.647 -11.307 1.00 1.41 H new ATOM 0 HG23 ILE A 50 21.403 -3.553 -12.719 1.00 1.41 H new ATOM 0 HD11 ILE A 50 19.999 -6.267 -14.649 1.00 40.41 H new ATOM 0 HD12 ILE A 50 20.785 -4.720 -14.256 1.00 40.41 H new ATOM 0 HD13 ILE A 50 21.225 -6.194 -13.362 1.00 40.41 H new ATOM 762 N THR A 51 22.420 -4.307 -9.328 1.00 41.23 N ATOM 763 CA THR A 51 22.920 -3.516 -8.211 1.00 14.03 C ATOM 764 C THR A 51 23.221 -2.085 -8.641 1.00 15.11 C ATOM 765 O THR A 51 24.112 -1.435 -8.093 1.00 74.14 O ATOM 766 CB THR A 51 24.194 -4.137 -7.608 1.00 34.42 C ATOM 767 OG1 THR A 51 25.224 -4.201 -8.600 1.00 23.22 O ATOM 768 CG2 THR A 51 23.913 -5.533 -7.070 1.00 40.43 C ATOM 0 H THR A 51 23.148 -4.706 -9.921 1.00 41.23 H new ATOM 0 HA THR A 51 22.135 -3.508 -7.454 1.00 14.03 H new ATOM 0 HB THR A 51 24.524 -3.506 -6.783 1.00 34.42 H new ATOM 0 HG1 THR A 51 26.031 -4.595 -8.208 1.00 23.22 H new ATOM 0 HG21 THR A 51 24.827 -5.952 -6.649 1.00 40.43 H new ATOM 0 HG22 THR A 51 23.149 -5.477 -6.295 1.00 40.43 H new ATOM 0 HG23 THR A 51 23.561 -6.171 -7.881 1.00 40.43 H new ATOM 776 N LYS A 52 22.472 -1.598 -9.624 1.00 54.24 N ATOM 777 CA LYS A 52 22.656 -0.242 -10.128 1.00 2.12 C ATOM 778 C LYS A 52 21.774 0.011 -11.346 1.00 15.22 C ATOM 779 O LYS A 52 21.629 -0.838 -12.225 1.00 61.50 O ATOM 780 CB LYS A 52 24.124 -0.006 -10.491 1.00 1.14 C ATOM 781 CG LYS A 52 24.320 1.008 -11.605 1.00 31.14 C ATOM 782 CD LYS A 52 25.566 1.849 -11.381 1.00 33.42 C ATOM 783 CE LYS A 52 25.437 3.219 -12.028 1.00 60.13 C ATOM 784 NZ LYS A 52 26.735 3.696 -12.580 1.00 25.13 N ATOM 0 H LYS A 52 21.731 -2.123 -10.088 1.00 54.24 H new ATOM 0 HA LYS A 52 22.366 0.454 -9.341 1.00 2.12 H new ATOM 0 HB2 LYS A 52 24.659 0.333 -9.604 1.00 1.14 H new ATOM 0 HB3 LYS A 52 24.572 -0.953 -10.790 1.00 1.14 H new ATOM 0 HG2 LYS A 52 24.397 0.490 -12.561 1.00 31.14 H new ATOM 0 HG3 LYS A 52 23.447 1.658 -11.664 1.00 31.14 H new ATOM 0 HD2 LYS A 52 25.740 1.966 -10.311 1.00 33.42 H new ATOM 0 HD3 LYS A 52 26.434 1.332 -11.791 1.00 33.42 H new ATOM 0 HE2 LYS A 52 24.697 3.175 -12.827 1.00 60.13 H new ATOM 0 HE3 LYS A 52 25.070 3.935 -11.293 1.00 60.13 H new ATOM 0 HZ1 LYS A 52 26.605 4.633 -13.012 1.00 25.13 H new ATOM 0 HZ2 LYS A 52 27.435 3.762 -11.814 1.00 25.13 H new ATOM 0 HZ3 LYS A 52 27.073 3.026 -13.300 1.00 25.13 H new ATOM 798 N PRO A 53 21.169 1.207 -11.402 1.00 4.43 N ATOM 799 CA PRO A 53 20.292 1.600 -12.509 1.00 3.44 C ATOM 800 C PRO A 53 21.061 1.818 -13.808 1.00 14.24 C ATOM 801 O PRO A 53 22.268 1.585 -13.874 1.00 13.30 O ATOM 802 CB PRO A 53 19.677 2.916 -12.024 1.00 63.30 C ATOM 803 CG PRO A 53 20.667 3.462 -11.053 1.00 73.43 C ATOM 804 CD PRO A 53 21.296 2.269 -10.389 1.00 25.32 C ATOM 0 HA PRO A 53 19.556 0.829 -12.740 1.00 3.44 H new ATOM 0 HB2 PRO A 53 19.513 3.605 -12.852 1.00 63.30 H new ATOM 0 HB3 PRO A 53 18.709 2.750 -11.551 1.00 63.30 H new ATOM 0 HG2 PRO A 53 21.418 4.068 -11.560 1.00 73.43 H new ATOM 0 HG3 PRO A 53 20.181 4.106 -10.320 1.00 73.43 H new ATOM 0 HD2 PRO A 53 22.339 2.456 -10.132 1.00 25.32 H new ATOM 0 HD3 PRO A 53 20.782 2.006 -9.465 1.00 25.32 H new ATOM 812 N LYS A 54 20.354 2.267 -14.839 1.00 72.14 N ATOM 813 CA LYS A 54 20.969 2.518 -16.137 1.00 52.53 C ATOM 814 C LYS A 54 20.843 3.989 -16.523 1.00 61.22 C ATOM 815 O LYS A 54 21.826 4.728 -16.516 1.00 44.04 O ATOM 816 CB LYS A 54 20.320 1.641 -17.211 1.00 3.34 C ATOM 817 CG LYS A 54 20.874 1.877 -18.605 1.00 65.30 C ATOM 818 CD LYS A 54 19.998 1.237 -19.669 1.00 13.42 C ATOM 819 CE LYS A 54 20.086 -0.280 -19.626 1.00 23.52 C ATOM 820 NZ LYS A 54 21.429 -0.770 -20.045 1.00 52.24 N ATOM 0 H LYS A 54 19.354 2.465 -14.801 1.00 72.14 H new ATOM 0 HA LYS A 54 22.027 2.268 -16.064 1.00 52.53 H new ATOM 0 HB2 LYS A 54 20.460 0.593 -16.946 1.00 3.34 H new ATOM 0 HB3 LYS A 54 19.246 1.827 -17.220 1.00 3.34 H new ATOM 0 HG2 LYS A 54 20.950 2.948 -18.791 1.00 65.30 H new ATOM 0 HG3 LYS A 54 21.883 1.470 -18.670 1.00 65.30 H new ATOM 0 HD2 LYS A 54 18.963 1.547 -19.524 1.00 13.42 H new ATOM 0 HD3 LYS A 54 20.302 1.592 -20.654 1.00 13.42 H new ATOM 0 HE2 LYS A 54 19.872 -0.628 -18.615 1.00 23.52 H new ATOM 0 HE3 LYS A 54 19.324 -0.707 -20.278 1.00 23.52 H new ATOM 0 HZ1 LYS A 54 21.383 -1.792 -20.231 1.00 52.24 H new ATOM 0 HZ2 LYS A 54 21.726 -0.273 -20.909 1.00 52.24 H new ATOM 0 HZ3 LYS A 54 22.117 -0.587 -19.287 1.00 52.24 H new ATOM 834 N ASN A 55 19.626 4.406 -16.858 1.00 4.22 N ATOM 835 CA ASN A 55 19.372 5.789 -17.246 1.00 25.05 C ATOM 836 C ASN A 55 18.307 6.417 -16.353 1.00 11.44 C ATOM 837 O ASN A 55 17.379 7.064 -16.837 1.00 1.45 O ATOM 838 CB ASN A 55 18.932 5.857 -18.709 1.00 44.53 C ATOM 839 CG ASN A 55 19.761 6.837 -19.517 1.00 3.50 C ATOM 840 OD1 ASN A 55 20.677 6.445 -20.240 1.00 60.31 O ATOM 841 ND2 ASN A 55 19.443 8.121 -19.397 1.00 0.13 N ATOM 0 H ASN A 55 18.801 3.806 -16.869 1.00 4.22 H new ATOM 0 HA ASN A 55 20.299 6.350 -17.126 1.00 25.05 H new ATOM 0 HB2 ASN A 55 19.009 4.866 -19.155 1.00 44.53 H new ATOM 0 HB3 ASN A 55 17.882 6.147 -18.757 1.00 44.53 H new ATOM 0 HD21 ASN A 55 19.966 8.827 -19.916 1.00 0.13 H new ATOM 0 HD22 ASN A 55 18.676 8.401 -18.786 1.00 0.13 H new ATOM 848 N GLY A 56 18.448 6.222 -15.045 1.00 12.21 N ATOM 849 CA GLY A 56 17.491 6.776 -14.105 1.00 1.32 C ATOM 850 C GLY A 56 16.663 5.706 -13.422 1.00 30.02 C ATOM 851 O GLY A 56 16.311 5.838 -12.250 1.00 12.04 O ATOM 0 H GLY A 56 19.208 5.690 -14.620 1.00 12.21 H new ATOM 0 HA2 GLY A 56 18.022 7.357 -13.351 1.00 1.32 H new ATOM 0 HA3 GLY A 56 16.828 7.464 -14.629 1.00 1.32 H new ATOM 855 N ARG A 57 16.350 4.644 -14.156 1.00 72.34 N ATOM 856 CA ARG A 57 15.555 3.548 -13.615 1.00 62.30 C ATOM 857 C ARG A 57 16.286 2.217 -13.771 1.00 41.42 C ATOM 858 O ARG A 57 17.375 2.160 -14.342 1.00 62.20 O ATOM 859 CB ARG A 57 14.196 3.481 -14.315 1.00 25.43 C ATOM 860 CG ARG A 57 14.111 4.343 -15.564 1.00 22.25 C ATOM 861 CD ARG A 57 13.897 5.808 -15.216 1.00 22.44 C ATOM 862 NE ARG A 57 12.935 6.447 -16.109 1.00 12.34 N ATOM 863 CZ ARG A 57 12.512 7.698 -15.959 1.00 63.23 C ATOM 864 NH1 ARG A 57 12.965 8.439 -14.958 1.00 5.02 N ATOM 865 NH2 ARG A 57 11.635 8.209 -16.813 1.00 50.33 N ATOM 0 H ARG A 57 16.635 4.519 -15.127 1.00 72.34 H new ATOM 0 HA ARG A 57 15.400 3.735 -12.552 1.00 62.30 H new ATOM 0 HB2 ARG A 57 13.986 2.446 -14.583 1.00 25.43 H new ATOM 0 HB3 ARG A 57 13.421 3.793 -13.615 1.00 25.43 H new ATOM 0 HG2 ARG A 57 15.027 4.236 -16.144 1.00 22.25 H new ATOM 0 HG3 ARG A 57 13.292 3.994 -16.193 1.00 22.25 H new ATOM 0 HD2 ARG A 57 13.546 5.889 -14.187 1.00 22.44 H new ATOM 0 HD3 ARG A 57 14.849 6.336 -15.270 1.00 22.44 H new ATOM 0 HE ARG A 57 12.568 5.904 -16.890 1.00 12.34 H new ATOM 0 HH11 ARG A 57 13.640 8.050 -14.300 1.00 5.02 H new ATOM 0 HH12 ARG A 57 12.638 9.399 -14.846 1.00 5.02 H new ATOM 0 HH21 ARG A 57 11.285 7.642 -17.585 1.00 50.33 H new ATOM 0 HH22 ARG A 57 11.311 9.169 -16.698 1.00 50.33 H new ATOM 879 N TRP A 58 15.680 1.152 -13.260 1.00 51.11 N ATOM 880 CA TRP A 58 16.274 -0.178 -13.342 1.00 54.34 C ATOM 881 C TRP A 58 15.769 -0.924 -14.573 1.00 1.24 C ATOM 882 O TRP A 58 14.679 -1.495 -14.559 1.00 35.41 O ATOM 883 CB TRP A 58 15.957 -0.979 -12.079 1.00 35.21 C ATOM 884 CG TRP A 58 16.132 -0.192 -10.816 1.00 3.50 C ATOM 885 CD1 TRP A 58 15.263 0.722 -10.292 1.00 52.11 C ATOM 886 CD2 TRP A 58 17.248 -0.247 -9.920 1.00 14.41 C ATOM 887 NE1 TRP A 58 15.770 1.238 -9.124 1.00 44.32 N ATOM 888 CE2 TRP A 58 16.986 0.660 -8.874 1.00 25.34 C ATOM 889 CE3 TRP A 58 18.440 -0.975 -9.898 1.00 42.43 C ATOM 890 CZ2 TRP A 58 17.875 0.856 -7.820 1.00 44.11 C ATOM 891 CZ3 TRP A 58 19.322 -0.778 -8.852 1.00 75.32 C ATOM 892 CH2 TRP A 58 19.035 0.130 -7.824 1.00 44.24 C ATOM 0 H TRP A 58 14.778 1.183 -12.785 1.00 51.11 H new ATOM 0 HA TRP A 58 17.354 -0.062 -13.428 1.00 54.34 H new ATOM 0 HB2 TRP A 58 14.930 -1.339 -12.134 1.00 35.21 H new ATOM 0 HB3 TRP A 58 16.601 -1.857 -12.043 1.00 35.21 H new ATOM 0 HD1 TRP A 58 14.316 0.999 -10.731 1.00 52.11 H new ATOM 0 HE1 TRP A 58 15.315 1.938 -8.538 1.00 44.32 H new ATOM 0 HE3 TRP A 58 18.668 -1.679 -10.684 1.00 42.43 H new ATOM 0 HZ2 TRP A 58 17.657 1.556 -7.027 1.00 44.11 H new ATOM 0 HZ3 TRP A 58 20.248 -1.333 -8.827 1.00 75.32 H new ATOM 0 HH2 TRP A 58 19.743 0.259 -7.019 1.00 44.24 H new ATOM 903 N ILE A 59 16.568 -0.915 -15.634 1.00 4.41 N ATOM 904 CA ILE A 59 16.202 -1.592 -16.871 1.00 62.24 C ATOM 905 C ILE A 59 16.954 -2.910 -17.020 1.00 22.43 C ATOM 906 O ILE A 59 18.135 -3.005 -16.683 1.00 73.42 O ATOM 907 CB ILE A 59 16.487 -0.710 -18.102 1.00 30.44 C ATOM 908 CG1 ILE A 59 15.933 0.699 -17.885 1.00 3.40 C ATOM 909 CG2 ILE A 59 15.886 -1.335 -19.352 1.00 33.23 C ATOM 910 CD1 ILE A 59 16.476 1.718 -18.862 1.00 52.44 C ATOM 0 H ILE A 59 17.473 -0.446 -15.662 1.00 4.41 H new ATOM 0 HA ILE A 59 15.132 -1.791 -16.816 1.00 62.24 H new ATOM 0 HB ILE A 59 17.566 -0.639 -18.238 1.00 30.44 H new ATOM 0 HG12 ILE A 59 14.847 0.670 -17.968 1.00 3.40 H new ATOM 0 HG13 ILE A 59 16.166 1.020 -16.870 1.00 3.40 H new ATOM 0 HG21 ILE A 59 16.096 -0.700 -20.213 1.00 33.23 H new ATOM 0 HG22 ILE A 59 16.323 -2.320 -19.512 1.00 33.23 H new ATOM 0 HG23 ILE A 59 14.808 -1.433 -19.227 1.00 33.23 H new ATOM 0 HD11 ILE A 59 16.040 2.694 -18.649 1.00 52.44 H new ATOM 0 HD12 ILE A 59 17.560 1.775 -18.763 1.00 52.44 H new ATOM 0 HD13 ILE A 59 16.220 1.420 -19.879 1.00 52.44 H new ATOM 922 N PHE A 60 16.263 -3.926 -17.527 1.00 41.44 N ATOM 923 CA PHE A 60 16.866 -5.239 -17.722 1.00 35.33 C ATOM 924 C PHE A 60 16.492 -5.813 -19.085 1.00 52.35 C ATOM 925 O PHE A 60 15.398 -5.569 -19.595 1.00 11.53 O ATOM 926 CB PHE A 60 16.421 -6.197 -16.614 1.00 52.31 C ATOM 927 CG PHE A 60 16.707 -7.640 -16.918 1.00 55.53 C ATOM 928 CD1 PHE A 60 18.001 -8.065 -17.170 1.00 72.01 C ATOM 929 CD2 PHE A 60 15.681 -8.570 -16.953 1.00 74.21 C ATOM 930 CE1 PHE A 60 18.267 -9.392 -17.450 1.00 64.11 C ATOM 931 CE2 PHE A 60 15.941 -9.899 -17.232 1.00 41.40 C ATOM 932 CZ PHE A 60 17.236 -10.310 -17.482 1.00 52.21 C ATOM 0 H PHE A 60 15.285 -3.865 -17.810 1.00 41.44 H new ATOM 0 HA PHE A 60 17.949 -5.123 -17.681 1.00 35.33 H new ATOM 0 HB2 PHE A 60 16.922 -5.923 -15.685 1.00 52.31 H new ATOM 0 HB3 PHE A 60 15.351 -6.074 -16.447 1.00 52.31 H new ATOM 0 HD1 PHE A 60 18.811 -7.351 -17.147 1.00 72.01 H new ATOM 0 HD2 PHE A 60 14.667 -8.253 -16.760 1.00 74.21 H new ATOM 0 HE1 PHE A 60 19.281 -9.711 -17.644 1.00 64.11 H new ATOM 0 HE2 PHE A 60 15.133 -10.615 -17.254 1.00 41.40 H new ATOM 0 HZ PHE A 60 17.442 -11.347 -17.702 1.00 52.21 H new ATOM 942 N ARG A 61 17.409 -6.576 -19.671 1.00 52.33 N ATOM 943 CA ARG A 61 17.177 -7.183 -20.976 1.00 43.35 C ATOM 944 C ARG A 61 17.614 -8.645 -20.981 1.00 43.44 C ATOM 945 O ARG A 61 18.748 -8.965 -20.623 1.00 34.30 O ATOM 946 CB ARG A 61 17.929 -6.411 -22.062 1.00 43.32 C ATOM 947 CG ARG A 61 17.549 -4.941 -22.139 1.00 71.20 C ATOM 948 CD ARG A 61 18.439 -4.088 -21.249 1.00 21.11 C ATOM 949 NE ARG A 61 19.150 -3.063 -22.008 1.00 4.22 N ATOM 950 CZ ARG A 61 20.290 -3.285 -22.654 1.00 13.43 C ATOM 951 NH1 ARG A 61 20.844 -4.489 -22.633 1.00 74.03 N ATOM 952 NH2 ARG A 61 20.877 -2.300 -23.322 1.00 60.45 N ATOM 0 H ARG A 61 18.319 -6.788 -19.263 1.00 52.33 H new ATOM 0 HA ARG A 61 16.108 -7.141 -21.184 1.00 43.35 H new ATOM 0 HB2 ARG A 61 19.000 -6.491 -21.877 1.00 43.32 H new ATOM 0 HB3 ARG A 61 17.736 -6.878 -23.028 1.00 43.32 H new ATOM 0 HG2 ARG A 61 17.628 -4.597 -23.170 1.00 71.20 H new ATOM 0 HG3 ARG A 61 16.508 -4.817 -21.840 1.00 71.20 H new ATOM 0 HD2 ARG A 61 17.832 -3.613 -20.478 1.00 21.11 H new ATOM 0 HD3 ARG A 61 19.160 -4.727 -20.739 1.00 21.11 H new ATOM 0 HE ARG A 61 18.750 -2.125 -22.044 1.00 4.22 H new ATOM 0 HH11 ARG A 61 20.395 -5.248 -22.120 1.00 74.03 H new ATOM 0 HH12 ARG A 61 21.719 -4.657 -23.130 1.00 74.03 H new ATOM 0 HH21 ARG A 61 20.453 -1.372 -23.340 1.00 60.45 H new ATOM 0 HH22 ARG A 61 21.752 -2.471 -23.818 1.00 60.45 H new ATOM 966 N ASP A 62 16.708 -9.526 -21.389 1.00 61.13 N ATOM 967 CA ASP A 62 17.000 -10.954 -21.442 1.00 33.04 C ATOM 968 C ASP A 62 17.238 -11.408 -22.878 1.00 50.34 C ATOM 969 O ASP A 62 16.994 -10.659 -23.825 1.00 34.13 O ATOM 970 CB ASP A 62 15.851 -11.754 -20.825 1.00 0.31 C ATOM 971 CG ASP A 62 16.303 -12.613 -19.660 1.00 43.44 C ATOM 972 OD1 ASP A 62 17.461 -13.082 -19.683 1.00 13.20 O ATOM 973 OD2 ASP A 62 15.500 -12.815 -18.726 1.00 3.01 O ATOM 0 H ASP A 62 15.765 -9.277 -21.688 1.00 61.13 H new ATOM 0 HA ASP A 62 17.909 -11.135 -20.868 1.00 33.04 H new ATOM 0 HB2 ASP A 62 15.075 -11.067 -20.487 1.00 0.31 H new ATOM 0 HB3 ASP A 62 15.403 -12.390 -21.589 1.00 0.31 H new ATOM 978 N ARG A 63 17.717 -12.638 -23.033 1.00 43.44 N ATOM 979 CA ARG A 63 17.991 -13.190 -24.355 1.00 31.05 C ATOM 980 C ARG A 63 17.505 -14.633 -24.452 1.00 30.24 C ATOM 981 O ARG A 63 17.951 -15.392 -25.311 1.00 72.01 O ATOM 982 CB ARG A 63 19.489 -13.123 -24.658 1.00 73.54 C ATOM 983 CG ARG A 63 20.039 -11.707 -24.700 1.00 63.45 C ATOM 984 CD ARG A 63 21.435 -11.634 -24.100 1.00 75.00 C ATOM 985 NE ARG A 63 22.135 -10.413 -24.490 1.00 33.20 N ATOM 986 CZ ARG A 63 23.423 -10.196 -24.250 1.00 62.53 C ATOM 987 NH1 ARG A 63 24.148 -11.114 -23.626 1.00 22.22 N ATOM 988 NH2 ARG A 63 23.989 -9.060 -24.636 1.00 61.02 N ATOM 0 H ARG A 63 17.923 -13.271 -22.260 1.00 43.44 H new ATOM 0 HA ARG A 63 17.452 -12.593 -25.090 1.00 31.05 H new ATOM 0 HB2 ARG A 63 20.030 -13.692 -23.901 1.00 73.54 H new ATOM 0 HB3 ARG A 63 19.679 -13.606 -25.616 1.00 73.54 H new ATOM 0 HG2 ARG A 63 20.066 -11.356 -25.732 1.00 63.45 H new ATOM 0 HG3 ARG A 63 19.372 -11.040 -24.154 1.00 63.45 H new ATOM 0 HD2 ARG A 63 21.365 -11.681 -23.013 1.00 75.00 H new ATOM 0 HD3 ARG A 63 22.013 -12.501 -24.420 1.00 75.00 H new ATOM 0 HE ARG A 63 21.606 -9.687 -24.973 1.00 33.20 H new ATOM 0 HH11 ARG A 63 23.717 -11.989 -23.329 1.00 22.22 H new ATOM 0 HH12 ARG A 63 25.137 -10.945 -23.443 1.00 22.22 H new ATOM 0 HH21 ARG A 63 23.435 -8.352 -25.118 1.00 61.02 H new ATOM 0 HH22 ARG A 63 24.978 -8.895 -24.451 1.00 61.02 H new ATOM 1002 N ASN A 64 16.589 -15.005 -23.564 1.00 15.45 N ATOM 1003 CA ASN A 64 16.043 -16.357 -23.548 1.00 52.04 C ATOM 1004 C ASN A 64 14.522 -16.328 -23.435 1.00 74.51 C ATOM 1005 O ASN A 64 13.892 -17.344 -23.141 1.00 72.13 O ATOM 1006 CB ASN A 64 16.637 -17.156 -22.387 1.00 21.21 C ATOM 1007 CG ASN A 64 16.304 -16.550 -21.037 1.00 54.35 C ATOM 1008 OD1 ASN A 64 17.051 -15.723 -20.515 1.00 14.54 O ATOM 1009 ND2 ASN A 64 15.177 -16.960 -20.467 1.00 31.02 N ATOM 0 H ASN A 64 16.209 -14.389 -22.846 1.00 15.45 H new ATOM 0 HA ASN A 64 16.311 -16.841 -24.487 1.00 52.04 H new ATOM 0 HB2 ASN A 64 16.263 -18.179 -22.425 1.00 21.21 H new ATOM 0 HB3 ASN A 64 17.720 -17.208 -22.502 1.00 21.21 H new ATOM 0 HD21 ASN A 64 14.900 -16.587 -19.559 1.00 31.02 H new ATOM 0 HD22 ASN A 64 14.589 -17.648 -20.937 1.00 31.02 H new ATOM 1016 N ALA A 65 13.938 -15.158 -23.671 1.00 10.02 N ATOM 1017 CA ALA A 65 12.491 -14.997 -23.598 1.00 21.40 C ATOM 1018 C ALA A 65 11.877 -14.912 -24.991 1.00 64.13 C ATOM 1019 O ALA A 65 11.937 -13.870 -25.643 1.00 61.24 O ATOM 1020 CB ALA A 65 12.138 -13.760 -22.787 1.00 14.42 C ATOM 0 H ALA A 65 14.445 -14.307 -23.915 1.00 10.02 H new ATOM 0 HA ALA A 65 12.077 -15.874 -23.100 1.00 21.40 H new ATOM 0 HB1 ALA A 65 11.054 -13.652 -22.741 1.00 14.42 H new ATOM 0 HB2 ALA A 65 12.536 -13.861 -21.777 1.00 14.42 H new ATOM 0 HB3 ALA A 65 12.570 -12.879 -23.261 1.00 14.42 H new ATOM 1026 N ALA A 66 11.288 -16.015 -25.442 1.00 3.01 N ATOM 1027 CA ALA A 66 10.663 -16.064 -26.757 1.00 54.15 C ATOM 1028 C ALA A 66 9.153 -15.874 -26.655 1.00 1.22 C ATOM 1029 O ALA A 66 8.396 -16.845 -26.619 1.00 12.41 O ATOM 1030 CB ALA A 66 10.985 -17.382 -27.447 1.00 10.45 C ATOM 0 H ALA A 66 11.231 -16.887 -24.915 1.00 3.01 H new ATOM 0 HA ALA A 66 11.067 -15.246 -27.354 1.00 54.15 H new ATOM 0 HB1 ALA A 66 10.511 -17.404 -28.428 1.00 10.45 H new ATOM 0 HB2 ALA A 66 12.065 -17.478 -27.563 1.00 10.45 H new ATOM 0 HB3 ALA A 66 10.610 -18.209 -26.844 1.00 10.45 H new ATOM 1036 N LEU A 67 8.722 -14.618 -26.607 1.00 74.33 N ATOM 1037 CA LEU A 67 7.301 -14.301 -26.508 1.00 2.31 C ATOM 1038 C LEU A 67 6.929 -13.169 -27.460 1.00 15.30 C ATOM 1039 O LEU A 67 7.797 -12.537 -28.061 1.00 65.05 O ATOM 1040 CB LEU A 67 6.944 -13.913 -25.072 1.00 4.01 C ATOM 1041 CG LEU A 67 7.288 -12.481 -24.658 1.00 75.52 C ATOM 1042 CD1 LEU A 67 8.719 -12.143 -25.044 1.00 41.10 C ATOM 1043 CD2 LEU A 67 6.316 -11.496 -25.290 1.00 75.15 C ATOM 0 H LEU A 67 9.335 -13.803 -26.635 1.00 74.33 H new ATOM 0 HA LEU A 67 6.735 -15.189 -26.789 1.00 2.31 H new ATOM 0 HB2 LEU A 67 5.874 -14.063 -24.932 1.00 4.01 H new ATOM 0 HB3 LEU A 67 7.453 -14.598 -24.394 1.00 4.01 H new ATOM 0 HG LEU A 67 7.199 -12.405 -23.574 1.00 75.52 H new ATOM 0 HD11 LEU A 67 8.946 -11.121 -24.742 1.00 41.10 H new ATOM 0 HD12 LEU A 67 9.402 -12.829 -24.544 1.00 41.10 H new ATOM 0 HD13 LEU A 67 8.836 -12.237 -26.124 1.00 41.10 H new ATOM 0 HD21 LEU A 67 6.575 -10.482 -24.985 1.00 75.15 H new ATOM 0 HD22 LEU A 67 6.373 -11.574 -26.376 1.00 75.15 H new ATOM 0 HD23 LEU A 67 5.302 -11.725 -24.963 1.00 75.15 H new ATOM 1055 N LYS A 68 5.631 -12.916 -27.591 1.00 13.23 N ATOM 1056 CA LYS A 68 5.141 -11.858 -28.466 1.00 43.44 C ATOM 1057 C LYS A 68 3.746 -11.407 -28.048 1.00 15.03 C ATOM 1058 O LYS A 68 3.019 -12.145 -27.381 1.00 2.41 O ATOM 1059 CB LYS A 68 5.119 -12.339 -29.919 1.00 1.01 C ATOM 1060 CG LYS A 68 4.380 -13.652 -30.113 1.00 42.45 C ATOM 1061 CD LYS A 68 5.300 -14.844 -29.914 1.00 20.45 C ATOM 1062 CE LYS A 68 4.592 -16.153 -30.229 1.00 22.21 C ATOM 1063 NZ LYS A 68 5.196 -17.301 -29.497 1.00 43.21 N ATOM 0 H LYS A 68 4.899 -13.430 -27.101 1.00 13.23 H new ATOM 0 HA LYS A 68 5.818 -11.008 -28.381 1.00 43.44 H new ATOM 0 HB2 LYS A 68 4.652 -11.574 -30.539 1.00 1.01 H new ATOM 0 HB3 LYS A 68 6.144 -12.453 -30.271 1.00 1.01 H new ATOM 0 HG2 LYS A 68 3.550 -13.711 -29.409 1.00 42.45 H new ATOM 0 HG3 LYS A 68 3.952 -13.685 -31.115 1.00 42.45 H new ATOM 0 HD2 LYS A 68 6.176 -14.740 -30.554 1.00 20.45 H new ATOM 0 HD3 LYS A 68 5.658 -14.861 -28.884 1.00 20.45 H new ATOM 0 HE2 LYS A 68 3.538 -16.068 -29.965 1.00 22.21 H new ATOM 0 HE3 LYS A 68 4.638 -16.342 -31.302 1.00 22.21 H new ATOM 0 HZ1 LYS A 68 4.685 -18.174 -29.739 1.00 43.21 H new ATOM 0 HZ2 LYS A 68 6.195 -17.398 -29.768 1.00 43.21 H new ATOM 0 HZ3 LYS A 68 5.129 -17.133 -28.473 1.00 43.21 H new ATOM 1077 N ILE A 69 3.377 -10.194 -28.444 1.00 52.41 N ATOM 1078 CA ILE A 69 2.067 -9.647 -28.112 1.00 21.02 C ATOM 1079 C ILE A 69 1.019 -10.751 -28.016 1.00 2.44 C ATOM 1080 O ILE A 69 0.728 -11.432 -28.998 1.00 20.04 O ATOM 1081 CB ILE A 69 1.609 -8.609 -29.154 1.00 22.34 C ATOM 1082 CG1 ILE A 69 2.576 -7.424 -29.183 1.00 51.44 C ATOM 1083 CG2 ILE A 69 0.195 -8.139 -28.847 1.00 21.31 C ATOM 1084 CD1 ILE A 69 2.224 -6.332 -28.197 1.00 73.01 C ATOM 0 H ILE A 69 3.967 -9.571 -28.995 1.00 52.41 H new ATOM 0 HA ILE A 69 2.166 -9.157 -27.143 1.00 21.02 H new ATOM 0 HB ILE A 69 1.609 -9.078 -30.138 1.00 22.34 H new ATOM 0 HG12 ILE A 69 3.583 -7.782 -28.971 1.00 51.44 H new ATOM 0 HG13 ILE A 69 2.592 -7.003 -30.188 1.00 51.44 H new ATOM 0 HG21 ILE A 69 -0.115 -7.406 -29.592 1.00 21.31 H new ATOM 0 HG22 ILE A 69 -0.485 -8.991 -28.872 1.00 21.31 H new ATOM 0 HG23 ILE A 69 0.170 -7.683 -27.857 1.00 21.31 H new ATOM 0 HD11 ILE A 69 2.952 -5.524 -28.273 1.00 73.01 H new ATOM 0 HD12 ILE A 69 1.230 -5.946 -28.421 1.00 73.01 H new ATOM 0 HD13 ILE A 69 2.236 -6.737 -27.185 1.00 73.01 H new ATOM 1096 N GLY A 70 0.454 -10.920 -26.824 1.00 74.21 N ATOM 1097 CA GLY A 70 -0.557 -11.941 -26.622 1.00 35.44 C ATOM 1098 C GLY A 70 -0.235 -12.854 -25.455 1.00 5.41 C ATOM 1099 O GLY A 70 -1.133 -13.434 -24.845 1.00 64.52 O ATOM 0 H GLY A 70 0.678 -10.369 -25.996 1.00 74.21 H new ATOM 0 HA2 GLY A 70 -1.522 -11.464 -26.450 1.00 35.44 H new ATOM 0 HA3 GLY A 70 -0.653 -12.537 -27.530 1.00 35.44 H new ATOM 1103 N ASP A 71 1.051 -12.982 -25.144 1.00 53.52 N ATOM 1104 CA ASP A 71 1.490 -13.831 -24.043 1.00 3.50 C ATOM 1105 C ASP A 71 1.151 -13.195 -22.698 1.00 60.22 C ATOM 1106 O ASP A 71 0.510 -12.146 -22.639 1.00 35.01 O ATOM 1107 CB ASP A 71 2.996 -14.084 -24.136 1.00 33.20 C ATOM 1108 CG ASP A 71 3.318 -15.463 -24.676 1.00 61.53 C ATOM 1109 OD1 ASP A 71 2.372 -16.199 -25.028 1.00 62.25 O ATOM 1110 OD2 ASP A 71 4.516 -15.807 -24.748 1.00 4.02 O ATOM 0 H ASP A 71 1.807 -12.509 -25.639 1.00 53.52 H new ATOM 0 HA ASP A 71 0.964 -14.783 -24.118 1.00 3.50 H new ATOM 0 HB2 ASP A 71 3.449 -13.330 -24.779 1.00 33.20 H new ATOM 0 HB3 ASP A 71 3.442 -13.970 -23.148 1.00 33.20 H new ATOM 1115 N LYS A 72 1.585 -13.838 -21.620 1.00 31.45 N ATOM 1116 CA LYS A 72 1.328 -13.338 -20.274 1.00 42.55 C ATOM 1117 C LYS A 72 2.505 -13.633 -19.350 1.00 40.01 C ATOM 1118 O LYS A 72 3.352 -14.473 -19.657 1.00 54.21 O ATOM 1119 CB LYS A 72 0.052 -13.965 -19.709 1.00 70.03 C ATOM 1120 CG LYS A 72 -1.217 -13.237 -20.119 1.00 63.31 C ATOM 1121 CD LYS A 72 -2.144 -14.139 -20.916 1.00 50.05 C ATOM 1122 CE LYS A 72 -3.288 -13.352 -21.538 1.00 63.33 C ATOM 1123 NZ LYS A 72 -4.418 -14.237 -21.935 1.00 13.34 N ATOM 0 H LYS A 72 2.117 -14.708 -21.652 1.00 31.45 H new ATOM 0 HA LYS A 72 1.198 -12.257 -20.334 1.00 42.55 H new ATOM 0 HB2 LYS A 72 -0.011 -15.002 -20.040 1.00 70.03 H new ATOM 0 HB3 LYS A 72 0.116 -13.981 -18.621 1.00 70.03 H new ATOM 0 HG2 LYS A 72 -1.734 -12.877 -19.230 1.00 63.31 H new ATOM 0 HG3 LYS A 72 -0.959 -12.361 -20.715 1.00 63.31 H new ATOM 0 HD2 LYS A 72 -1.578 -14.642 -21.700 1.00 50.05 H new ATOM 0 HD3 LYS A 72 -2.546 -14.915 -20.265 1.00 50.05 H new ATOM 0 HE2 LYS A 72 -3.644 -12.605 -20.828 1.00 63.33 H new ATOM 0 HE3 LYS A 72 -2.924 -12.813 -22.413 1.00 63.33 H new ATOM 0 HZ1 LYS A 72 -5.177 -13.663 -22.355 1.00 13.34 H new ATOM 0 HZ2 LYS A 72 -4.085 -14.934 -22.632 1.00 13.34 H new ATOM 0 HZ3 LYS A 72 -4.782 -14.733 -21.096 1.00 13.34 H new ATOM 1137 N ILE A 73 2.551 -12.939 -18.218 1.00 32.11 N ATOM 1138 CA ILE A 73 3.622 -13.130 -17.248 1.00 44.24 C ATOM 1139 C ILE A 73 3.081 -13.127 -15.823 1.00 20.01 C ATOM 1140 O ILE A 73 2.154 -12.383 -15.501 1.00 61.21 O ATOM 1141 CB ILE A 73 4.700 -12.037 -17.378 1.00 62.34 C ATOM 1142 CG1 ILE A 73 5.196 -11.949 -18.823 1.00 51.42 C ATOM 1143 CG2 ILE A 73 5.857 -12.320 -16.432 1.00 44.30 C ATOM 1144 CD1 ILE A 73 5.941 -10.668 -19.129 1.00 14.10 C ATOM 0 H ILE A 73 1.859 -12.239 -17.950 1.00 32.11 H new ATOM 0 HA ILE A 73 4.071 -14.100 -17.461 1.00 44.24 H new ATOM 0 HB ILE A 73 4.259 -11.078 -17.106 1.00 62.34 H new ATOM 0 HG12 ILE A 73 5.849 -12.797 -19.027 1.00 51.42 H new ATOM 0 HG13 ILE A 73 4.344 -12.034 -19.497 1.00 51.42 H new ATOM 0 HG21 ILE A 73 6.611 -11.539 -16.535 1.00 44.30 H new ATOM 0 HG22 ILE A 73 5.491 -12.338 -15.405 1.00 44.30 H new ATOM 0 HG23 ILE A 73 6.299 -13.286 -16.677 1.00 44.30 H new ATOM 0 HD11 ILE A 73 6.263 -10.674 -20.170 1.00 14.10 H new ATOM 0 HD12 ILE A 73 5.284 -9.815 -18.958 1.00 14.10 H new ATOM 0 HD13 ILE A 73 6.813 -10.590 -18.480 1.00 14.10 H new ATOM 1156 N TYR A 74 3.667 -13.962 -14.972 1.00 73.21 N ATOM 1157 CA TYR A 74 3.243 -14.057 -13.580 1.00 50.02 C ATOM 1158 C TYR A 74 4.432 -14.336 -12.666 1.00 64.14 C ATOM 1159 O TYR A 74 4.947 -15.454 -12.622 1.00 2.42 O ATOM 1160 CB TYR A 74 2.192 -15.157 -13.419 1.00 4.13 C ATOM 1161 CG TYR A 74 1.310 -15.335 -14.634 1.00 3.22 C ATOM 1162 CD1 TYR A 74 1.685 -16.181 -15.671 1.00 2.44 C ATOM 1163 CD2 TYR A 74 0.103 -14.657 -14.746 1.00 11.33 C ATOM 1164 CE1 TYR A 74 0.883 -16.346 -16.783 1.00 51.22 C ATOM 1165 CE2 TYR A 74 -0.706 -14.817 -15.854 1.00 33.03 C ATOM 1166 CZ TYR A 74 -0.312 -15.662 -16.870 1.00 20.42 C ATOM 1167 OH TYR A 74 -1.115 -15.824 -17.976 1.00 4.42 O ATOM 0 H TYR A 74 4.437 -14.583 -15.222 1.00 73.21 H new ATOM 0 HA TYR A 74 2.805 -13.101 -13.294 1.00 50.02 H new ATOM 0 HB2 TYR A 74 2.695 -16.100 -13.205 1.00 4.13 H new ATOM 0 HB3 TYR A 74 1.566 -14.926 -12.557 1.00 4.13 H new ATOM 0 HD1 TYR A 74 2.620 -16.718 -15.606 1.00 2.44 H new ATOM 0 HD2 TYR A 74 -0.208 -13.993 -13.953 1.00 11.33 H new ATOM 0 HE1 TYR A 74 1.190 -17.007 -17.580 1.00 51.22 H new ATOM 0 HE2 TYR A 74 -1.642 -14.283 -15.924 1.00 33.03 H new ATOM 0 HH TYR A 74 -1.920 -15.273 -17.880 1.00 4.42 H new ATOM 1177 N PHE A 75 4.864 -13.312 -11.938 1.00 13.21 N ATOM 1178 CA PHE A 75 5.993 -13.445 -11.025 1.00 14.25 C ATOM 1179 C PHE A 75 6.058 -12.260 -10.065 1.00 24.30 C ATOM 1180 O PHE A 75 5.075 -11.543 -9.880 1.00 5.41 O ATOM 1181 CB PHE A 75 7.301 -13.553 -11.810 1.00 3.21 C ATOM 1182 CG PHE A 75 7.767 -12.244 -12.382 1.00 31.33 C ATOM 1183 CD1 PHE A 75 7.012 -11.583 -13.337 1.00 11.10 C ATOM 1184 CD2 PHE A 75 8.959 -11.675 -11.964 1.00 21.42 C ATOM 1185 CE1 PHE A 75 7.439 -10.379 -13.865 1.00 74.13 C ATOM 1186 CE2 PHE A 75 9.391 -10.472 -12.488 1.00 53.43 C ATOM 1187 CZ PHE A 75 8.629 -9.822 -13.440 1.00 33.24 C ATOM 0 H PHE A 75 4.449 -12.380 -11.963 1.00 13.21 H new ATOM 0 HA PHE A 75 5.852 -14.355 -10.442 1.00 14.25 H new ATOM 0 HB2 PHE A 75 8.076 -13.951 -11.155 1.00 3.21 H new ATOM 0 HB3 PHE A 75 7.170 -14.269 -12.621 1.00 3.21 H new ATOM 0 HD1 PHE A 75 6.080 -12.013 -13.673 1.00 11.10 H new ATOM 0 HD2 PHE A 75 9.558 -12.178 -11.219 1.00 21.42 H new ATOM 0 HE1 PHE A 75 6.842 -9.874 -14.610 1.00 74.13 H new ATOM 0 HE2 PHE A 75 10.323 -10.040 -12.154 1.00 53.43 H new ATOM 0 HZ PHE A 75 8.963 -8.881 -13.851 1.00 33.24 H new ATOM 1197 N TRP A 76 7.223 -12.063 -9.457 1.00 73.15 N ATOM 1198 CA TRP A 76 7.417 -10.966 -8.516 1.00 63.11 C ATOM 1199 C TRP A 76 8.840 -10.423 -8.600 1.00 34.15 C ATOM 1200 O TRP A 76 9.685 -10.974 -9.306 1.00 3.45 O ATOM 1201 CB TRP A 76 7.119 -11.432 -7.090 1.00 53.41 C ATOM 1202 CG TRP A 76 6.962 -12.917 -6.971 1.00 31.42 C ATOM 1203 CD1 TRP A 76 7.949 -13.856 -7.065 1.00 5.01 C ATOM 1204 CD2 TRP A 76 5.745 -13.635 -6.737 1.00 51.44 C ATOM 1205 NE1 TRP A 76 7.420 -15.114 -6.904 1.00 53.40 N ATOM 1206 CE2 TRP A 76 6.069 -15.005 -6.701 1.00 5.12 C ATOM 1207 CE3 TRP A 76 4.413 -13.253 -6.554 1.00 3.24 C ATOM 1208 CZ2 TRP A 76 5.110 -15.991 -6.489 1.00 71.44 C ATOM 1209 CZ3 TRP A 76 3.462 -14.233 -6.344 1.00 62.11 C ATOM 1210 CH2 TRP A 76 3.814 -15.589 -6.313 1.00 30.14 C ATOM 0 H TRP A 76 8.046 -12.648 -9.599 1.00 73.15 H new ATOM 0 HA TRP A 76 6.726 -10.166 -8.781 1.00 63.11 H new ATOM 0 HB2 TRP A 76 7.925 -11.105 -6.433 1.00 53.41 H new ATOM 0 HB3 TRP A 76 6.207 -10.948 -6.741 1.00 53.41 H new ATOM 0 HD1 TRP A 76 8.993 -13.641 -7.240 1.00 5.01 H new ATOM 0 HE1 TRP A 76 7.947 -15.987 -6.931 1.00 53.40 H new ATOM 0 HE3 TRP A 76 4.132 -12.210 -6.576 1.00 3.24 H new ATOM 0 HZ2 TRP A 76 5.379 -17.037 -6.464 1.00 71.44 H new ATOM 0 HZ3 TRP A 76 2.430 -13.949 -6.201 1.00 62.11 H new ATOM 0 HH2 TRP A 76 3.047 -16.331 -6.147 1.00 30.14 H new ATOM 1221 N THR A 77 9.098 -9.339 -7.874 1.00 64.32 N ATOM 1222 CA THR A 77 10.418 -8.722 -7.867 1.00 43.42 C ATOM 1223 C THR A 77 10.786 -8.227 -6.473 1.00 44.42 C ATOM 1224 O THR A 77 9.913 -7.964 -5.646 1.00 21.41 O ATOM 1225 CB THR A 77 10.491 -7.541 -8.855 1.00 25.55 C ATOM 1226 OG1 THR A 77 9.293 -6.762 -8.776 1.00 72.11 O ATOM 1227 CG2 THR A 77 10.687 -8.039 -10.279 1.00 12.22 C ATOM 0 H THR A 77 8.410 -8.871 -7.284 1.00 64.32 H new ATOM 0 HA THR A 77 11.128 -9.489 -8.176 1.00 43.42 H new ATOM 0 HB THR A 77 11.345 -6.920 -8.584 1.00 25.55 H new ATOM 0 HG1 THR A 77 9.348 -6.013 -9.405 1.00 72.11 H new ATOM 0 HG21 THR A 77 10.736 -7.188 -10.959 1.00 12.22 H new ATOM 0 HG22 THR A 77 11.615 -8.607 -10.341 1.00 12.22 H new ATOM 0 HG23 THR A 77 9.851 -8.679 -10.559 1.00 12.22 H new ATOM 1235 N PHE A 78 12.085 -8.100 -6.219 1.00 34.21 N ATOM 1236 CA PHE A 78 12.568 -7.636 -4.924 1.00 24.52 C ATOM 1237 C PHE A 78 13.348 -6.333 -5.069 1.00 65.24 C ATOM 1238 O PHE A 78 14.146 -6.174 -5.994 1.00 12.43 O ATOM 1239 CB PHE A 78 13.452 -8.703 -4.274 1.00 22.11 C ATOM 1240 CG PHE A 78 12.946 -9.169 -2.939 1.00 33.30 C ATOM 1241 CD1 PHE A 78 13.305 -8.506 -1.777 1.00 32.02 C ATOM 1242 CD2 PHE A 78 12.111 -10.271 -2.846 1.00 70.43 C ATOM 1243 CE1 PHE A 78 12.840 -8.932 -0.547 1.00 22.23 C ATOM 1244 CE2 PHE A 78 11.643 -10.702 -1.619 1.00 50.12 C ATOM 1245 CZ PHE A 78 12.009 -10.032 -0.468 1.00 30.31 C ATOM 0 H PHE A 78 12.821 -8.312 -6.893 1.00 34.21 H new ATOM 0 HA PHE A 78 11.703 -7.452 -4.286 1.00 24.52 H new ATOM 0 HB2 PHE A 78 13.527 -9.559 -4.944 1.00 22.11 H new ATOM 0 HB3 PHE A 78 14.459 -8.304 -4.153 1.00 22.11 H new ATOM 0 HD1 PHE A 78 13.956 -7.646 -1.833 1.00 32.02 H new ATOM 0 HD2 PHE A 78 11.823 -10.799 -3.743 1.00 70.43 H new ATOM 0 HE1 PHE A 78 13.126 -8.405 0.351 1.00 22.23 H new ATOM 0 HE2 PHE A 78 10.992 -11.562 -1.560 1.00 50.12 H new ATOM 0 HZ PHE A 78 11.646 -10.368 0.492 1.00 30.31 H new ATOM 1255 N VAL A 79 13.112 -5.403 -4.150 1.00 11.12 N ATOM 1256 CA VAL A 79 13.792 -4.113 -4.174 1.00 73.34 C ATOM 1257 C VAL A 79 14.303 -3.735 -2.789 1.00 23.32 C ATOM 1258 O VAL A 79 13.922 -4.343 -1.788 1.00 70.43 O ATOM 1259 CB VAL A 79 12.862 -2.998 -4.688 1.00 73.21 C ATOM 1260 CG1 VAL A 79 13.080 -2.764 -6.175 1.00 55.21 C ATOM 1261 CG2 VAL A 79 11.408 -3.343 -4.402 1.00 21.24 C ATOM 0 H VAL A 79 12.455 -5.518 -3.379 1.00 11.12 H new ATOM 0 HA VAL A 79 14.637 -4.214 -4.855 1.00 73.34 H new ATOM 0 HB VAL A 79 13.103 -2.075 -4.160 1.00 73.21 H new ATOM 0 HG11 VAL A 79 12.414 -1.973 -6.520 1.00 55.21 H new ATOM 0 HG12 VAL A 79 14.115 -2.469 -6.349 1.00 55.21 H new ATOM 0 HG13 VAL A 79 12.867 -3.682 -6.723 1.00 55.21 H new ATOM 0 HG21 VAL A 79 10.765 -2.544 -4.772 1.00 21.24 H new ATOM 0 HG22 VAL A 79 11.151 -4.277 -4.902 1.00 21.24 H new ATOM 0 HG23 VAL A 79 11.265 -3.455 -3.327 1.00 21.24 H new ATOM 1271 N ILE A 80 15.168 -2.728 -2.738 1.00 40.21 N ATOM 1272 CA ILE A 80 15.731 -2.268 -1.475 1.00 14.43 C ATOM 1273 C ILE A 80 15.881 -0.750 -1.460 1.00 63.23 C ATOM 1274 O ILE A 80 16.872 -0.209 -1.952 1.00 12.43 O ATOM 1275 CB ILE A 80 17.103 -2.911 -1.202 1.00 20.11 C ATOM 1276 CG1 ILE A 80 16.967 -4.432 -1.102 1.00 51.23 C ATOM 1277 CG2 ILE A 80 17.710 -2.344 0.072 1.00 2.45 C ATOM 1278 CD1 ILE A 80 18.294 -5.157 -1.074 1.00 2.21 C ATOM 0 H ILE A 80 15.494 -2.215 -3.557 1.00 40.21 H new ATOM 0 HA ILE A 80 15.036 -2.570 -0.692 1.00 14.43 H new ATOM 0 HB ILE A 80 17.768 -2.678 -2.033 1.00 20.11 H new ATOM 0 HG12 ILE A 80 16.408 -4.680 -0.200 1.00 51.23 H new ATOM 0 HG13 ILE A 80 16.383 -4.793 -1.949 1.00 51.23 H new ATOM 0 HG21 ILE A 80 18.680 -2.809 0.251 1.00 2.45 H new ATOM 0 HG22 ILE A 80 17.838 -1.267 -0.034 1.00 2.45 H new ATOM 0 HG23 ILE A 80 17.048 -2.550 0.913 1.00 2.45 H new ATOM 0 HD11 ILE A 80 18.121 -6.231 -1.002 1.00 2.21 H new ATOM 0 HD12 ILE A 80 18.847 -4.939 -1.988 1.00 2.21 H new ATOM 0 HD13 ILE A 80 18.872 -4.825 -0.212 1.00 2.21 H new ATOM 1290 N LYS A 81 14.893 -0.068 -0.892 1.00 34.42 N ATOM 1291 CA LYS A 81 14.915 1.387 -0.809 1.00 51.24 C ATOM 1292 C LYS A 81 14.959 1.849 0.644 1.00 55.23 C ATOM 1293 O LYS A 81 14.402 1.199 1.529 1.00 63.33 O ATOM 1294 CB LYS A 81 13.687 1.977 -1.507 1.00 31.15 C ATOM 1295 CG LYS A 81 13.421 3.428 -1.146 1.00 42.30 C ATOM 1296 CD LYS A 81 12.173 3.954 -1.835 1.00 1.44 C ATOM 1297 CE LYS A 81 11.312 4.769 -0.881 1.00 71.33 C ATOM 1298 NZ LYS A 81 11.460 6.232 -1.113 1.00 12.32 N ATOM 0 H LYS A 81 14.065 -0.501 -0.482 1.00 34.42 H new ATOM 0 HA LYS A 81 15.815 1.741 -1.311 1.00 51.24 H new ATOM 0 HB2 LYS A 81 13.820 1.898 -2.586 1.00 31.15 H new ATOM 0 HB3 LYS A 81 12.812 1.381 -1.249 1.00 31.15 H new ATOM 0 HG2 LYS A 81 13.308 3.520 -0.066 1.00 42.30 H new ATOM 0 HG3 LYS A 81 14.279 4.038 -1.430 1.00 42.30 H new ATOM 0 HD2 LYS A 81 12.459 4.571 -2.687 1.00 1.44 H new ATOM 0 HD3 LYS A 81 11.593 3.119 -2.227 1.00 1.44 H new ATOM 0 HE2 LYS A 81 10.267 4.486 -1.003 1.00 71.33 H new ATOM 0 HE3 LYS A 81 11.588 4.535 0.147 1.00 71.33 H new ATOM 0 HZ1 LYS A 81 10.858 6.752 -0.444 1.00 12.32 H new ATOM 0 HZ2 LYS A 81 12.453 6.507 -0.972 1.00 12.32 H new ATOM 0 HZ3 LYS A 81 11.173 6.460 -2.086 1.00 12.32 H new ATOM 1312 N ASP A 82 15.621 2.976 0.882 1.00 60.32 N ATOM 1313 CA ASP A 82 15.735 3.526 2.227 1.00 13.15 C ATOM 1314 C ASP A 82 16.180 2.454 3.217 1.00 1.12 C ATOM 1315 O ASP A 82 15.867 2.523 4.405 1.00 62.10 O ATOM 1316 CB ASP A 82 14.399 4.124 2.671 1.00 12.13 C ATOM 1317 CG ASP A 82 14.418 5.640 2.682 1.00 41.00 C ATOM 1318 OD1 ASP A 82 14.634 6.238 1.607 1.00 34.31 O ATOM 1319 OD2 ASP A 82 14.219 6.229 3.765 1.00 33.34 O ATOM 0 H ASP A 82 16.087 3.526 0.161 1.00 60.32 H new ATOM 0 HA ASP A 82 16.489 4.313 2.208 1.00 13.15 H new ATOM 0 HB2 ASP A 82 13.610 3.778 2.003 1.00 12.13 H new ATOM 0 HB3 ASP A 82 14.155 3.759 3.669 1.00 12.13 H new ATOM 1324 N GLY A 83 16.912 1.463 2.718 1.00 23.54 N ATOM 1325 CA GLY A 83 17.388 0.389 3.572 1.00 53.41 C ATOM 1326 C GLY A 83 16.255 -0.367 4.238 1.00 43.23 C ATOM 1327 O GLY A 83 16.407 -0.875 5.350 1.00 41.24 O ATOM 0 H GLY A 83 17.184 1.384 1.738 1.00 23.54 H new ATOM 0 HA2 GLY A 83 17.985 -0.305 2.980 1.00 53.41 H new ATOM 0 HA3 GLY A 83 18.045 0.802 4.338 1.00 53.41 H new ATOM 1331 N LEU A 84 15.116 -0.441 3.559 1.00 60.14 N ATOM 1332 CA LEU A 84 13.952 -1.140 4.092 1.00 54.31 C ATOM 1333 C LEU A 84 13.782 -2.502 3.426 1.00 13.45 C ATOM 1334 O LEU A 84 14.044 -3.538 4.035 1.00 61.22 O ATOM 1335 CB LEU A 84 12.690 -0.299 3.888 1.00 42.21 C ATOM 1336 CG LEU A 84 12.353 0.688 5.006 1.00 2.12 C ATOM 1337 CD1 LEU A 84 11.821 1.990 4.427 1.00 34.52 C ATOM 1338 CD2 LEU A 84 11.345 0.079 5.969 1.00 30.44 C ATOM 0 H LEU A 84 14.973 -0.026 2.638 1.00 60.14 H new ATOM 0 HA LEU A 84 14.110 -1.295 5.159 1.00 54.31 H new ATOM 0 HB2 LEU A 84 12.796 0.259 2.958 1.00 42.21 H new ATOM 0 HB3 LEU A 84 11.844 -0.975 3.760 1.00 42.21 H new ATOM 0 HG LEU A 84 13.267 0.907 5.559 1.00 2.12 H new ATOM 0 HD11 LEU A 84 11.587 2.680 5.238 1.00 34.52 H new ATOM 0 HD12 LEU A 84 12.576 2.435 3.779 1.00 34.52 H new ATOM 0 HD13 LEU A 84 10.919 1.789 3.849 1.00 34.52 H new ATOM 0 HD21 LEU A 84 11.117 0.795 6.758 1.00 30.44 H new ATOM 0 HD22 LEU A 84 10.431 -0.170 5.430 1.00 30.44 H new ATOM 0 HD23 LEU A 84 11.764 -0.825 6.410 1.00 30.44 H new ATOM 1350 N GLY A 85 13.343 -2.491 2.171 1.00 15.14 N ATOM 1351 CA GLY A 85 13.147 -3.731 1.443 1.00 4.03 C ATOM 1352 C GLY A 85 11.703 -3.942 1.035 1.00 70.41 C ATOM 1353 O GLY A 85 10.821 -4.059 1.886 1.00 73.12 O ATOM 0 H GLY A 85 13.120 -1.646 1.646 1.00 15.14 H new ATOM 0 HA2 GLY A 85 13.776 -3.729 0.553 1.00 4.03 H new ATOM 0 HA3 GLY A 85 13.472 -4.567 2.062 1.00 4.03 H new ATOM 1357 N TYR A 86 11.460 -3.990 -0.270 1.00 71.21 N ATOM 1358 CA TYR A 86 10.111 -4.185 -0.790 1.00 5.43 C ATOM 1359 C TYR A 86 10.075 -5.333 -1.793 1.00 72.14 C ATOM 1360 O TYR A 86 11.115 -5.851 -2.200 1.00 3.43 O ATOM 1361 CB TYR A 86 9.606 -2.900 -1.449 1.00 22.21 C ATOM 1362 CG TYR A 86 9.528 -1.724 -0.502 1.00 44.21 C ATOM 1363 CD1 TYR A 86 10.659 -0.975 -0.199 1.00 21.43 C ATOM 1364 CD2 TYR A 86 8.325 -1.361 0.090 1.00 72.43 C ATOM 1365 CE1 TYR A 86 10.593 0.100 0.666 1.00 21.23 C ATOM 1366 CE2 TYR A 86 8.249 -0.287 0.955 1.00 41.14 C ATOM 1367 CZ TYR A 86 9.386 0.440 1.240 1.00 51.41 C ATOM 1368 OH TYR A 86 9.315 1.510 2.102 1.00 11.51 O ATOM 0 H TYR A 86 12.179 -3.897 -0.987 1.00 71.21 H new ATOM 0 HA TYR A 86 9.459 -4.437 0.046 1.00 5.43 H new ATOM 0 HB2 TYR A 86 10.265 -2.644 -2.279 1.00 22.21 H new ATOM 0 HB3 TYR A 86 8.618 -3.082 -1.871 1.00 22.21 H new ATOM 0 HD1 TYR A 86 11.606 -1.238 -0.648 1.00 21.43 H new ATOM 0 HD2 TYR A 86 7.433 -1.929 -0.130 1.00 72.43 H new ATOM 0 HE1 TYR A 86 11.482 0.671 0.891 1.00 21.23 H new ATOM 0 HE2 TYR A 86 7.305 -0.018 1.406 1.00 41.14 H new ATOM 0 HH TYR A 86 8.393 1.615 2.417 1.00 11.51 H new ATOM 1378 N ARG A 87 8.868 -5.726 -2.189 1.00 44.23 N ATOM 1379 CA ARG A 87 8.694 -6.813 -3.145 1.00 23.01 C ATOM 1380 C ARG A 87 7.325 -6.735 -3.814 1.00 43.42 C ATOM 1381 O ARG A 87 6.322 -6.447 -3.163 1.00 14.13 O ATOM 1382 CB ARG A 87 8.856 -8.165 -2.447 1.00 11.31 C ATOM 1383 CG ARG A 87 8.490 -9.351 -3.324 1.00 43.23 C ATOM 1384 CD ARG A 87 8.230 -10.598 -2.495 1.00 22.35 C ATOM 1385 NE ARG A 87 7.151 -10.399 -1.530 1.00 65.23 N ATOM 1386 CZ ARG A 87 7.002 -11.133 -0.433 1.00 51.30 C ATOM 1387 NH1 ARG A 87 7.858 -12.108 -0.162 1.00 71.30 N ATOM 1388 NH2 ARG A 87 5.995 -10.891 0.396 1.00 13.42 N ATOM 0 H ARG A 87 7.997 -5.308 -1.863 1.00 44.23 H new ATOM 0 HA ARG A 87 9.461 -6.714 -3.913 1.00 23.01 H new ATOM 0 HB2 ARG A 87 9.889 -8.273 -2.118 1.00 11.31 H new ATOM 0 HB3 ARG A 87 8.233 -8.179 -1.553 1.00 11.31 H new ATOM 0 HG2 ARG A 87 7.603 -9.111 -3.910 1.00 43.23 H new ATOM 0 HG3 ARG A 87 9.297 -9.545 -4.031 1.00 43.23 H new ATOM 0 HD2 ARG A 87 7.977 -11.427 -3.156 1.00 22.35 H new ATOM 0 HD3 ARG A 87 9.141 -10.879 -1.967 1.00 22.35 H new ATOM 0 HE ARG A 87 6.475 -9.656 -1.708 1.00 65.23 H new ATOM 0 HH11 ARG A 87 8.634 -12.296 -0.797 1.00 71.30 H new ATOM 0 HH12 ARG A 87 7.741 -12.670 0.681 1.00 71.30 H new ATOM 0 HH21 ARG A 87 5.335 -10.141 0.191 1.00 13.42 H new ATOM 0 HH22 ARG A 87 5.881 -11.455 1.238 1.00 13.42 H new ATOM 1402 N GLN A 88 7.294 -6.992 -5.118 1.00 0.22 N ATOM 1403 CA GLN A 88 6.049 -6.949 -5.875 1.00 15.23 C ATOM 1404 C GLN A 88 5.257 -8.240 -5.694 1.00 50.11 C ATOM 1405 O GLN A 88 5.807 -9.265 -5.291 1.00 75.33 O ATOM 1406 CB GLN A 88 6.337 -6.717 -7.359 1.00 11.21 C ATOM 1407 CG GLN A 88 5.286 -5.868 -8.057 1.00 64.54 C ATOM 1408 CD GLN A 88 5.581 -4.384 -7.967 1.00 35.01 C ATOM 1409 OE1 GLN A 88 6.582 -3.972 -7.380 1.00 72.41 O ATOM 1410 NE2 GLN A 88 4.707 -3.571 -8.549 1.00 43.33 N ATOM 0 H GLN A 88 8.116 -7.232 -5.672 1.00 0.22 H new ATOM 0 HA GLN A 88 5.451 -6.121 -5.495 1.00 15.23 H new ATOM 0 HB2 GLN A 88 7.309 -6.234 -7.461 1.00 11.21 H new ATOM 0 HB3 GLN A 88 6.406 -7.681 -7.862 1.00 11.21 H new ATOM 0 HG2 GLN A 88 5.226 -6.160 -9.106 1.00 64.54 H new ATOM 0 HG3 GLN A 88 4.310 -6.068 -7.614 1.00 64.54 H new ATOM 0 HE21 GLN A 88 3.891 -3.956 -9.025 1.00 43.33 H new ATOM 0 HE22 GLN A 88 4.852 -2.562 -8.520 1.00 43.33 H new ATOM 1419 N ASP A 89 3.964 -8.182 -5.994 1.00 62.11 N ATOM 1420 CA ASP A 89 3.097 -9.347 -5.866 1.00 34.25 C ATOM 1421 C ASP A 89 2.029 -9.352 -6.955 1.00 71.51 C ATOM 1422 O ASP A 89 2.050 -8.522 -7.862 1.00 51.13 O ATOM 1423 CB ASP A 89 2.436 -9.368 -4.486 1.00 53.24 C ATOM 1424 CG ASP A 89 3.376 -9.855 -3.401 1.00 75.23 C ATOM 1425 OD1 ASP A 89 3.515 -11.086 -3.247 1.00 22.31 O ATOM 1426 OD2 ASP A 89 3.971 -9.006 -2.706 1.00 12.53 O ATOM 0 H ASP A 89 3.494 -7.341 -6.327 1.00 62.11 H new ATOM 0 HA ASP A 89 3.711 -10.240 -5.980 1.00 34.25 H new ATOM 0 HB2 ASP A 89 2.088 -8.365 -4.238 1.00 53.24 H new ATOM 0 HB3 ASP A 89 1.557 -10.012 -4.517 1.00 53.24 H new ATOM 1431 N ASN A 90 1.097 -10.295 -6.859 1.00 21.42 N ATOM 1432 CA ASN A 90 0.022 -10.410 -7.837 1.00 53.03 C ATOM 1433 C ASN A 90 0.469 -11.231 -9.043 1.00 34.20 C ATOM 1434 O ASN A 90 -0.329 -11.942 -9.653 1.00 22.31 O ATOM 1435 CB ASN A 90 -0.432 -9.021 -8.292 1.00 33.40 C ATOM 1436 CG ASN A 90 -1.900 -8.989 -8.673 1.00 63.15 C ATOM 1437 OD1 ASN A 90 -2.444 -10.147 -9.028 1.00 23.34 O flip ATOM 1438 ND2 ASN A 90 -2.536 -7.935 -8.650 1.00 34.33 N flip ATOM 0 H ASN A 90 1.065 -10.990 -6.114 1.00 21.42 H new ATOM 0 HA ASN A 90 -0.815 -10.921 -7.362 1.00 53.03 H new ATOM 0 HB2 ASN A 90 -0.251 -8.303 -7.493 1.00 33.40 H new ATOM 0 HB3 ASN A 90 0.169 -8.707 -9.145 1.00 33.40 H new ATOM 0 HD21 ASN A 90 -2.077 -7.068 -8.370 1.00 34.33 H new ATOM 0 HD22 ASN A 90 -3.522 -7.929 -8.910 1.00 34.33 H new ATOM 1445 N GLY A 91 1.751 -11.128 -9.381 1.00 14.24 N ATOM 1446 CA GLY A 91 2.282 -11.866 -10.511 1.00 72.32 C ATOM 1447 C GLY A 91 1.268 -12.029 -11.626 1.00 15.41 C ATOM 1448 O GLY A 91 0.617 -13.067 -11.735 1.00 21.53 O ATOM 0 H GLY A 91 2.431 -10.546 -8.892 1.00 14.24 H new ATOM 0 HA2 GLY A 91 3.162 -11.350 -10.897 1.00 72.32 H new ATOM 0 HA3 GLY A 91 2.611 -12.850 -10.176 1.00 72.32 H new ATOM 1452 N GLU A 92 1.131 -10.998 -12.455 1.00 24.31 N ATOM 1453 CA GLU A 92 0.187 -11.032 -13.565 1.00 55.40 C ATOM 1454 C GLU A 92 0.358 -9.810 -14.463 1.00 4.54 C ATOM 1455 O GLU A 92 0.045 -8.687 -14.067 1.00 3.24 O ATOM 1456 CB GLU A 92 -1.249 -11.095 -13.040 1.00 13.40 C ATOM 1457 CG GLU A 92 -2.291 -11.251 -14.135 1.00 14.33 C ATOM 1458 CD GLU A 92 -3.699 -10.973 -13.644 1.00 50.11 C ATOM 1459 OE1 GLU A 92 -3.891 -9.967 -12.929 1.00 72.24 O ATOM 1460 OE2 GLU A 92 -4.609 -11.762 -13.976 1.00 3.14 O ATOM 0 H GLU A 92 1.662 -10.130 -12.378 1.00 24.31 H new ATOM 0 HA GLU A 92 0.391 -11.926 -14.154 1.00 55.40 H new ATOM 0 HB2 GLU A 92 -1.337 -11.930 -12.345 1.00 13.40 H new ATOM 0 HB3 GLU A 92 -1.461 -10.187 -12.475 1.00 13.40 H new ATOM 0 HG2 GLU A 92 -2.055 -10.572 -14.955 1.00 14.33 H new ATOM 0 HG3 GLU A 92 -2.243 -12.264 -14.535 1.00 14.33 H new ATOM 1467 N TRP A 93 0.858 -10.037 -15.672 1.00 0.12 N ATOM 1468 CA TRP A 93 1.072 -8.955 -16.626 1.00 4.31 C ATOM 1469 C TRP A 93 1.006 -9.471 -18.059 1.00 32.21 C ATOM 1470 O TRP A 93 1.928 -10.134 -18.535 1.00 21.23 O ATOM 1471 CB TRP A 93 2.425 -8.286 -16.374 1.00 53.22 C ATOM 1472 CG TRP A 93 2.480 -7.525 -15.084 1.00 41.00 C ATOM 1473 CD1 TRP A 93 2.018 -6.260 -14.858 1.00 44.33 C ATOM 1474 CD2 TRP A 93 3.030 -7.981 -13.843 1.00 50.12 C ATOM 1475 NE1 TRP A 93 2.248 -5.902 -13.552 1.00 3.52 N ATOM 1476 CE2 TRP A 93 2.867 -6.940 -12.908 1.00 32.31 C ATOM 1477 CE3 TRP A 93 3.642 -9.167 -13.431 1.00 22.44 C ATOM 1478 CZ2 TRP A 93 3.295 -7.052 -11.588 1.00 23.41 C ATOM 1479 CZ3 TRP A 93 4.067 -9.277 -12.120 1.00 42.13 C ATOM 1480 CH2 TRP A 93 3.892 -8.225 -11.211 1.00 74.13 C ATOM 0 H TRP A 93 1.123 -10.960 -16.015 1.00 0.12 H new ATOM 0 HA TRP A 93 0.279 -8.220 -16.488 1.00 4.31 H new ATOM 0 HB2 TRP A 93 3.204 -9.048 -16.371 1.00 53.22 H new ATOM 0 HB3 TRP A 93 2.646 -7.607 -17.198 1.00 53.22 H new ATOM 0 HD1 TRP A 93 1.542 -5.633 -15.597 1.00 44.33 H new ATOM 0 HE1 TRP A 93 1.998 -5.008 -13.130 1.00 3.52 H new ATOM 0 HE3 TRP A 93 3.781 -9.984 -14.124 1.00 22.44 H new ATOM 0 HZ2 TRP A 93 3.161 -6.242 -10.886 1.00 23.41 H new ATOM 0 HZ3 TRP A 93 4.542 -10.189 -11.791 1.00 42.13 H new ATOM 0 HH2 TRP A 93 4.235 -8.342 -10.193 1.00 74.13 H new ATOM 1491 N THR A 94 -0.091 -9.164 -18.744 1.00 13.40 N ATOM 1492 CA THR A 94 -0.278 -9.598 -20.123 1.00 13.34 C ATOM 1493 C THR A 94 0.555 -8.755 -21.082 1.00 73.50 C ATOM 1494 O THR A 94 0.611 -7.532 -20.961 1.00 50.41 O ATOM 1495 CB THR A 94 -1.759 -9.518 -20.541 1.00 23.53 C ATOM 1496 OG1 THR A 94 -2.555 -10.343 -19.682 1.00 40.14 O ATOM 1497 CG2 THR A 94 -1.937 -9.960 -21.985 1.00 74.33 C ATOM 0 H THR A 94 -0.864 -8.616 -18.366 1.00 13.40 H new ATOM 0 HA THR A 94 0.051 -10.636 -20.176 1.00 13.34 H new ATOM 0 HB THR A 94 -2.084 -8.482 -20.452 1.00 23.53 H new ATOM 0 HG1 THR A 94 -3.495 -10.286 -19.953 1.00 40.14 H new ATOM 0 HG21 THR A 94 -2.990 -9.895 -22.258 1.00 74.33 H new ATOM 0 HG22 THR A 94 -1.352 -9.313 -22.638 1.00 74.33 H new ATOM 0 HG23 THR A 94 -1.596 -10.990 -22.095 1.00 74.33 H new ATOM 1505 N VAL A 95 1.201 -9.418 -22.036 1.00 75.33 N ATOM 1506 CA VAL A 95 2.030 -8.730 -23.018 1.00 54.13 C ATOM 1507 C VAL A 95 1.189 -7.818 -23.905 1.00 72.52 C ATOM 1508 O VAL A 95 0.411 -8.289 -24.735 1.00 23.23 O ATOM 1509 CB VAL A 95 2.794 -9.729 -23.907 1.00 23.24 C ATOM 1510 CG1 VAL A 95 3.719 -8.994 -24.864 1.00 50.54 C ATOM 1511 CG2 VAL A 95 3.575 -10.714 -23.049 1.00 42.05 C ATOM 0 H VAL A 95 1.166 -10.431 -22.149 1.00 75.33 H new ATOM 0 HA VAL A 95 2.748 -8.129 -22.460 1.00 54.13 H new ATOM 0 HB VAL A 95 2.071 -10.290 -24.499 1.00 23.24 H new ATOM 0 HG11 VAL A 95 4.250 -9.717 -25.484 1.00 50.54 H new ATOM 0 HG12 VAL A 95 3.132 -8.332 -25.501 1.00 50.54 H new ATOM 0 HG13 VAL A 95 4.439 -8.406 -24.295 1.00 50.54 H new ATOM 0 HG21 VAL A 95 4.109 -11.413 -23.692 1.00 42.05 H new ATOM 0 HG22 VAL A 95 4.290 -10.171 -22.431 1.00 42.05 H new ATOM 0 HG23 VAL A 95 2.886 -11.264 -22.408 1.00 42.05 H new ATOM 1521 N GLU A 96 1.351 -6.512 -23.724 1.00 42.51 N ATOM 1522 CA GLU A 96 0.606 -5.534 -24.509 1.00 10.15 C ATOM 1523 C GLU A 96 1.546 -4.504 -25.129 1.00 74.22 C ATOM 1524 O GLU A 96 1.103 -3.539 -25.751 1.00 22.20 O ATOM 1525 CB GLU A 96 -0.433 -4.830 -23.633 1.00 72.13 C ATOM 1526 CG GLU A 96 -1.402 -5.783 -22.954 1.00 12.24 C ATOM 1527 CD GLU A 96 -2.789 -5.190 -22.795 1.00 3.32 C ATOM 1528 OE1 GLU A 96 -2.899 -4.077 -22.240 1.00 4.34 O ATOM 1529 OE2 GLU A 96 -3.764 -5.839 -23.226 1.00 72.45 O ATOM 0 H GLU A 96 1.991 -6.106 -23.041 1.00 42.51 H new ATOM 0 HA GLU A 96 0.095 -6.064 -25.313 1.00 10.15 H new ATOM 0 HB2 GLU A 96 0.083 -4.245 -22.871 1.00 72.13 H new ATOM 0 HB3 GLU A 96 -0.997 -4.127 -24.246 1.00 72.13 H new ATOM 0 HG2 GLU A 96 -1.469 -6.703 -23.535 1.00 12.24 H new ATOM 0 HG3 GLU A 96 -1.012 -6.054 -21.973 1.00 12.24 H new ATOM 1536 N GLY A 97 2.846 -4.717 -24.955 1.00 25.43 N ATOM 1537 CA GLY A 97 3.829 -3.800 -25.502 1.00 74.02 C ATOM 1538 C GLY A 97 4.700 -4.447 -26.560 1.00 23.41 C ATOM 1539 O GLY A 97 4.520 -5.620 -26.891 1.00 3.41 O ATOM 0 H GLY A 97 3.237 -5.509 -24.445 1.00 25.43 H new ATOM 0 HA2 GLY A 97 3.318 -2.939 -25.933 1.00 74.02 H new ATOM 0 HA3 GLY A 97 4.460 -3.425 -24.696 1.00 74.02 H new ATOM 1543 N PHE A 98 5.647 -3.683 -27.094 1.00 0.45 N ATOM 1544 CA PHE A 98 6.548 -4.188 -28.122 1.00 45.04 C ATOM 1545 C PHE A 98 7.850 -3.392 -28.143 1.00 64.43 C ATOM 1546 O PHE A 98 7.894 -2.239 -27.714 1.00 75.31 O ATOM 1547 CB PHE A 98 5.876 -4.124 -29.495 1.00 64.05 C ATOM 1548 CG PHE A 98 5.991 -5.400 -30.279 1.00 34.52 C ATOM 1549 CD1 PHE A 98 5.611 -6.609 -29.718 1.00 33.20 C ATOM 1550 CD2 PHE A 98 6.477 -5.392 -31.576 1.00 42.40 C ATOM 1551 CE1 PHE A 98 5.716 -7.785 -30.436 1.00 74.24 C ATOM 1552 CE2 PHE A 98 6.584 -6.564 -32.300 1.00 31.55 C ATOM 1553 CZ PHE A 98 6.202 -7.763 -31.729 1.00 55.31 C ATOM 0 H PHE A 98 5.810 -2.711 -26.831 1.00 0.45 H new ATOM 0 HA PHE A 98 6.781 -5.227 -27.887 1.00 45.04 H new ATOM 0 HB2 PHE A 98 4.821 -3.882 -29.364 1.00 64.05 H new ATOM 0 HB3 PHE A 98 6.320 -3.312 -30.071 1.00 64.05 H new ATOM 0 HD1 PHE A 98 5.228 -6.632 -28.708 1.00 33.20 H new ATOM 0 HD2 PHE A 98 6.776 -4.458 -32.027 1.00 42.40 H new ATOM 0 HE1 PHE A 98 5.418 -8.721 -29.987 1.00 74.24 H new ATOM 0 HE2 PHE A 98 6.965 -6.543 -33.310 1.00 31.55 H new ATOM 0 HZ PHE A 98 6.283 -8.681 -32.292 1.00 55.31 H new ATOM 1563 N VAL A 99 8.911 -4.017 -28.645 1.00 72.25 N ATOM 1564 CA VAL A 99 10.214 -3.369 -28.723 1.00 43.35 C ATOM 1565 C VAL A 99 11.173 -4.166 -29.601 1.00 1.13 C ATOM 1566 O VAL A 99 10.799 -5.186 -30.179 1.00 31.41 O ATOM 1567 CB VAL A 99 10.839 -3.194 -27.326 1.00 72.14 C ATOM 1568 CG1 VAL A 99 10.664 -1.764 -26.838 1.00 65.13 C ATOM 1569 CG2 VAL A 99 10.227 -4.180 -26.343 1.00 21.32 C ATOM 0 H VAL A 99 8.893 -4.972 -29.004 1.00 72.25 H new ATOM 0 HA VAL A 99 10.052 -2.386 -29.166 1.00 43.35 H new ATOM 0 HB VAL A 99 11.907 -3.400 -27.396 1.00 72.14 H new ATOM 0 HG11 VAL A 99 11.112 -1.659 -25.850 1.00 65.13 H new ATOM 0 HG12 VAL A 99 11.153 -1.080 -27.532 1.00 65.13 H new ATOM 0 HG13 VAL A 99 9.602 -1.526 -26.782 1.00 65.13 H new ATOM 0 HG21 VAL A 99 10.680 -4.043 -25.361 1.00 21.32 H new ATOM 0 HG22 VAL A 99 9.153 -4.007 -26.275 1.00 21.32 H new ATOM 0 HG23 VAL A 99 10.409 -5.198 -26.688 1.00 21.32 H new ATOM 1579 N ASP A 100 12.411 -3.694 -29.695 1.00 2.21 N ATOM 1580 CA ASP A 100 13.426 -4.363 -30.501 1.00 35.43 C ATOM 1581 C ASP A 100 14.774 -4.361 -29.788 1.00 45.33 C ATOM 1582 O ASP A 100 15.222 -3.328 -29.291 1.00 50.14 O ATOM 1583 CB ASP A 100 13.554 -3.684 -31.865 1.00 70.10 C ATOM 1584 CG ASP A 100 12.213 -3.500 -32.549 1.00 24.33 C ATOM 1585 OD1 ASP A 100 11.525 -2.502 -32.248 1.00 23.34 O ATOM 1586 OD2 ASP A 100 11.853 -4.354 -33.386 1.00 13.24 O ATOM 0 H ASP A 100 12.736 -2.850 -29.223 1.00 2.21 H new ATOM 0 HA ASP A 100 13.115 -5.397 -30.648 1.00 35.43 H new ATOM 0 HB2 ASP A 100 14.031 -2.712 -31.740 1.00 70.10 H new ATOM 0 HB3 ASP A 100 14.206 -4.279 -32.504 1.00 70.10 H new ATOM 1591 N GLU A 101 15.416 -5.524 -29.742 1.00 61.12 N ATOM 1592 CA GLU A 101 16.713 -5.655 -29.089 1.00 31.15 C ATOM 1593 C GLU A 101 17.822 -5.069 -29.958 1.00 11.15 C ATOM 1594 O GLU A 101 18.801 -5.744 -30.272 1.00 24.43 O ATOM 1595 CB GLU A 101 17.010 -7.125 -28.786 1.00 63.31 C ATOM 1596 CG GLU A 101 18.122 -7.325 -27.770 1.00 1.22 C ATOM 1597 CD GLU A 101 17.984 -8.625 -27.002 1.00 22.11 C ATOM 1598 OE1 GLU A 101 18.349 -9.683 -27.557 1.00 55.34 O ATOM 1599 OE2 GLU A 101 17.512 -8.585 -25.847 1.00 21.43 O ATOM 0 H GLU A 101 15.059 -6.389 -30.149 1.00 61.12 H new ATOM 0 HA GLU A 101 16.677 -5.098 -28.152 1.00 31.15 H new ATOM 0 HB2 GLU A 101 16.102 -7.602 -28.417 1.00 63.31 H new ATOM 0 HB3 GLU A 101 17.281 -7.631 -29.713 1.00 63.31 H new ATOM 0 HG2 GLU A 101 19.084 -7.310 -28.282 1.00 1.22 H new ATOM 0 HG3 GLU A 101 18.122 -6.491 -27.068 1.00 1.22 H new ATOM 1606 N ALA A 102 17.659 -3.807 -30.343 1.00 23.42 N ATOM 1607 CA ALA A 102 18.646 -3.129 -31.174 1.00 21.21 C ATOM 1608 C ALA A 102 18.874 -1.698 -30.698 1.00 65.51 C ATOM 1609 O ALA A 102 19.783 -1.014 -31.172 1.00 35.24 O ATOM 1610 CB ALA A 102 18.206 -3.139 -32.630 1.00 70.13 C ATOM 0 H ALA A 102 16.853 -3.234 -30.093 1.00 23.42 H new ATOM 0 HA ALA A 102 19.590 -3.668 -31.087 1.00 21.21 H new ATOM 0 HB1 ALA A 102 18.952 -2.629 -33.239 1.00 70.13 H new ATOM 0 HB2 ALA A 102 18.101 -4.169 -32.971 1.00 70.13 H new ATOM 0 HB3 ALA A 102 17.249 -2.626 -32.724 1.00 70.13 H new