USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 817 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -0.425 X(o=-1.1,f=-0.96) USER MOD Set 1.2: A 121 GLN : amide:sc= -0.654 K(o=-1.1,f=-2.2) USER MOD Set 2.1: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 73 TYR OH : rot 150:sc= -0.0584 USER MOD Single : A 32 SER OG : rot -58:sc= 0.107 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0514 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.016) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= -1.93! (180deg=-1.93!) USER MOD Single : A 60 GLN : amide:sc= -0.0342 X(o=-0.034,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 86 HIS : no HD1:sc= -2.45! C(o=-2.5!,f=-7.3!) USER MOD Single : A 87 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0117) USER MOD Single : A 89 CYS SG : rot -14:sc= -0.597! USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -22:sc= 0.559 USER MOD Single : A 95 CYS SG : rot 180:sc= -0.659 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -130:sc= 1.09 (180deg=-1.14) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= 0.138 K(o=0.14,f=-4.9!) USER MOD Single : A 110 GLN : amide:sc= -2.08 X(o=-2.1,f=-1.8) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.754 K(o=-0.75,f=-4!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 56:sc= 0.59 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 31 -10.087 -0.045 -16.618 1.00 0.00 N ATOM 2 CA GLY A 31 -10.712 0.377 -17.858 1.00 0.00 C ATOM 3 C GLY A 31 -9.738 0.408 -19.018 1.00 0.00 C ATOM 4 O GLY A 31 -9.587 1.433 -19.683 1.00 0.00 O ATOM 0 HA2 GLY A 31 -11.533 -0.299 -18.095 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.144 1.369 -17.724 1.00 0.00 H new ATOM 8 N SER A 32 -9.073 -0.717 -19.261 1.00 0.00 N ATOM 9 CA SER A 32 -8.103 -0.812 -20.346 1.00 0.00 C ATOM 10 C SER A 32 -7.263 0.459 -20.437 1.00 0.00 C ATOM 11 O SER A 32 -6.999 0.964 -21.528 1.00 0.00 O ATOM 12 CB SER A 32 -8.816 -1.063 -21.676 1.00 0.00 C ATOM 13 OG SER A 32 -7.908 -1.518 -22.664 1.00 0.00 O ATOM 0 H SER A 32 -9.188 -1.575 -18.722 1.00 0.00 H new ATOM 0 HA SER A 32 -7.439 -1.650 -20.135 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.605 -1.802 -21.535 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.296 -0.144 -22.014 1.00 0.00 H new ATOM 0 HG SER A 32 -7.192 -0.859 -22.778 1.00 0.00 H new ATOM 19 N SER A 33 -6.848 0.971 -19.283 1.00 0.00 N ATOM 20 CA SER A 33 -6.042 2.185 -19.231 1.00 0.00 C ATOM 21 C SER A 33 -4.773 2.030 -20.065 1.00 0.00 C ATOM 22 O SER A 33 -4.446 0.936 -20.522 1.00 0.00 O ATOM 23 CB SER A 33 -5.677 2.519 -17.784 1.00 0.00 C ATOM 24 OG SER A 33 -6.782 3.079 -17.096 1.00 0.00 O ATOM 0 H SER A 33 -7.057 0.564 -18.371 1.00 0.00 H new ATOM 0 HA SER A 33 -6.632 3.002 -19.647 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.345 1.616 -17.272 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.842 3.219 -17.769 1.00 0.00 H new ATOM 0 HG SER A 33 -6.524 3.282 -16.173 1.00 0.00 H new ATOM 30 N GLY A 34 -4.061 3.137 -20.258 1.00 0.00 N ATOM 31 CA GLY A 34 -2.836 3.104 -21.035 1.00 0.00 C ATOM 32 C GLY A 34 -1.782 4.051 -20.497 1.00 0.00 C ATOM 33 O GLY A 34 -2.075 5.206 -20.188 1.00 0.00 O ATOM 0 H GLY A 34 -4.311 4.055 -19.890 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.439 2.089 -21.039 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.059 3.364 -22.070 1.00 0.00 H new ATOM 37 N SER A 35 -0.552 3.561 -20.382 1.00 0.00 N ATOM 38 CA SER A 35 0.549 4.371 -19.871 1.00 0.00 C ATOM 39 C SER A 35 1.002 5.390 -20.912 1.00 0.00 C ATOM 40 O SER A 35 1.395 5.028 -22.022 1.00 0.00 O ATOM 41 CB SER A 35 1.724 3.477 -19.471 1.00 0.00 C ATOM 42 OG SER A 35 1.574 3.002 -18.144 1.00 0.00 O ATOM 0 H SER A 35 -0.292 2.608 -20.635 1.00 0.00 H new ATOM 0 HA SER A 35 0.195 4.909 -18.992 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.793 2.633 -20.157 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.656 4.035 -19.558 1.00 0.00 H new ATOM 0 HG SER A 35 2.337 2.432 -17.913 1.00 0.00 H new ATOM 48 N SER A 36 0.944 6.666 -20.546 1.00 0.00 N ATOM 49 CA SER A 36 1.345 7.739 -21.449 1.00 0.00 C ATOM 50 C SER A 36 2.859 7.925 -21.433 1.00 0.00 C ATOM 51 O SER A 36 3.495 8.018 -22.482 1.00 0.00 O ATOM 52 CB SER A 36 0.655 9.047 -21.057 1.00 0.00 C ATOM 53 OG SER A 36 1.009 9.437 -19.741 1.00 0.00 O ATOM 0 H SER A 36 0.623 6.982 -19.631 1.00 0.00 H new ATOM 0 HA SER A 36 1.041 7.464 -22.459 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.933 9.833 -21.759 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.426 8.926 -21.125 1.00 0.00 H new ATOM 0 HG SER A 36 0.556 10.276 -19.516 1.00 0.00 H new ATOM 59 N GLY A 37 3.430 7.979 -20.234 1.00 0.00 N ATOM 60 CA GLY A 37 4.865 8.153 -20.102 1.00 0.00 C ATOM 61 C GLY A 37 5.315 8.191 -18.655 1.00 0.00 C ATOM 62 O GLY A 37 5.141 7.220 -17.918 1.00 0.00 O ATOM 0 H GLY A 37 2.925 7.905 -19.351 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.375 7.339 -20.616 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.162 9.078 -20.596 1.00 0.00 H new ATOM 66 N VAL A 38 5.896 9.315 -18.247 1.00 0.00 N ATOM 67 CA VAL A 38 6.372 9.475 -16.878 1.00 0.00 C ATOM 68 C VAL A 38 5.209 9.539 -15.895 1.00 0.00 C ATOM 69 O VAL A 38 4.151 10.100 -16.182 1.00 0.00 O ATOM 70 CB VAL A 38 7.229 10.746 -16.727 1.00 0.00 C ATOM 71 CG1 VAL A 38 8.487 10.647 -17.576 1.00 0.00 C ATOM 72 CG2 VAL A 38 6.420 11.980 -17.100 1.00 0.00 C ATOM 0 H VAL A 38 6.048 10.128 -18.844 1.00 0.00 H new ATOM 0 HA VAL A 38 6.986 8.603 -16.653 1.00 0.00 H new ATOM 0 HB VAL A 38 7.531 10.838 -15.684 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.079 11.554 -17.456 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.074 9.786 -17.258 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.211 10.530 -18.624 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.040 12.869 -16.988 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.087 11.898 -18.135 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.552 12.058 -16.445 1.00 0.00 H new ATOM 82 N PRO A 39 5.406 8.953 -14.705 1.00 0.00 N ATOM 83 CA PRO A 39 4.385 8.931 -13.654 1.00 0.00 C ATOM 84 C PRO A 39 4.150 10.309 -13.045 1.00 0.00 C ATOM 85 O PRO A 39 5.035 10.872 -12.401 1.00 0.00 O ATOM 86 CB PRO A 39 4.971 7.977 -12.610 1.00 0.00 C ATOM 87 CG PRO A 39 6.444 8.044 -12.820 1.00 0.00 C ATOM 88 CD PRO A 39 6.642 8.265 -14.294 1.00 0.00 C ATOM 0 HA PRO A 39 3.413 8.620 -14.037 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.701 8.282 -11.599 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.597 6.962 -12.747 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.884 8.856 -12.241 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.927 7.122 -12.495 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.525 8.872 -14.494 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.774 7.324 -14.827 1.00 0.00 H new ATOM 96 N MET A 40 2.952 10.846 -13.253 1.00 0.00 N ATOM 97 CA MET A 40 2.602 12.158 -12.722 1.00 0.00 C ATOM 98 C MET A 40 1.901 12.030 -11.373 1.00 0.00 C ATOM 99 O MET A 40 0.995 11.213 -11.208 1.00 0.00 O ATOM 100 CB MET A 40 1.703 12.907 -13.708 1.00 0.00 C ATOM 101 CG MET A 40 2.472 13.736 -14.723 1.00 0.00 C ATOM 102 SD MET A 40 1.397 14.506 -15.949 1.00 0.00 S ATOM 103 CE MET A 40 1.480 16.222 -15.442 1.00 0.00 C ATOM 0 H MET A 40 2.208 10.393 -13.785 1.00 0.00 H new ATOM 0 HA MET A 40 3.524 12.722 -12.580 1.00 0.00 H new ATOM 0 HB2 MET A 40 1.079 12.187 -14.237 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.032 13.561 -13.151 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.035 14.510 -14.202 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.198 13.100 -15.230 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.864 16.828 -16.106 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.114 16.318 -14.420 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.513 16.566 -15.491 1.00 0.00 H new ATOM 113 N LYS A 41 2.326 12.841 -10.411 1.00 0.00 N ATOM 114 CA LYS A 41 1.739 12.819 -9.076 1.00 0.00 C ATOM 115 C LYS A 41 1.447 14.234 -8.587 1.00 0.00 C ATOM 116 O LYS A 41 1.616 15.204 -9.327 1.00 0.00 O ATOM 117 CB LYS A 41 2.678 12.114 -8.095 1.00 0.00 C ATOM 118 CG LYS A 41 3.910 12.928 -7.739 1.00 0.00 C ATOM 119 CD LYS A 41 5.050 12.669 -8.709 1.00 0.00 C ATOM 120 CE LYS A 41 6.274 13.503 -8.366 1.00 0.00 C ATOM 121 NZ LYS A 41 7.379 13.295 -9.343 1.00 0.00 N ATOM 0 H LYS A 41 3.075 13.522 -10.531 1.00 0.00 H new ATOM 0 HA LYS A 41 0.799 12.270 -9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.129 11.883 -7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.993 11.164 -8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.660 13.989 -7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.230 12.682 -6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.312 11.611 -8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.725 12.898 -9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.001 14.558 -8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.621 13.245 -7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.195 13.881 -9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.658 12.293 -9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.057 13.566 -10.294 1.00 0.00 H new ATOM 135 N ASP A 42 1.008 14.345 -7.338 1.00 0.00 N ATOM 136 CA ASP A 42 0.695 15.642 -6.750 1.00 0.00 C ATOM 137 C ASP A 42 1.759 16.050 -5.736 1.00 0.00 C ATOM 138 O ASP A 42 2.337 15.205 -5.053 1.00 0.00 O ATOM 139 CB ASP A 42 -0.679 15.603 -6.079 1.00 0.00 C ATOM 140 CG ASP A 42 -1.808 15.443 -7.078 1.00 0.00 C ATOM 141 OD1 ASP A 42 -1.668 14.616 -8.004 1.00 0.00 O ATOM 142 OD2 ASP A 42 -2.831 16.144 -6.935 1.00 0.00 O ATOM 0 H ASP A 42 0.861 13.552 -6.713 1.00 0.00 H new ATOM 0 HA ASP A 42 0.679 16.382 -7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.709 14.778 -5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.828 16.521 -5.510 1.00 0.00 H new ATOM 147 N HIS A 43 2.013 17.352 -5.644 1.00 0.00 N ATOM 148 CA HIS A 43 3.008 17.872 -4.713 1.00 0.00 C ATOM 149 C HIS A 43 2.629 17.544 -3.273 1.00 0.00 C ATOM 150 O HIS A 43 3.492 17.450 -2.399 1.00 0.00 O ATOM 151 CB HIS A 43 3.153 19.385 -4.883 1.00 0.00 C ATOM 152 CG HIS A 43 1.942 20.155 -4.454 1.00 0.00 C ATOM 153 ND1 HIS A 43 1.931 20.991 -3.358 1.00 0.00 N ATOM 154 CD2 HIS A 43 0.697 20.213 -4.983 1.00 0.00 C ATOM 155 CE1 HIS A 43 0.731 21.529 -3.230 1.00 0.00 C ATOM 156 NE2 HIS A 43 -0.036 21.073 -4.203 1.00 0.00 N ATOM 0 H HIS A 43 1.544 18.065 -6.202 1.00 0.00 H new ATOM 0 HA HIS A 43 3.963 17.395 -4.936 1.00 0.00 H new ATOM 0 HB2 HIS A 43 4.013 19.726 -4.307 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.362 19.606 -5.930 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.346 19.682 -5.856 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.429 22.224 -2.460 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -1.015 21.320 -4.351 1.00 0.00 H new ATOM 165 N ASP A 44 1.334 17.372 -3.031 1.00 0.00 N ATOM 166 CA ASP A 44 0.841 17.054 -1.696 1.00 0.00 C ATOM 167 C ASP A 44 0.232 15.656 -1.661 1.00 0.00 C ATOM 168 O ASP A 44 -0.763 15.418 -0.976 1.00 0.00 O ATOM 169 CB ASP A 44 -0.197 18.087 -1.253 1.00 0.00 C ATOM 170 CG ASP A 44 -1.449 18.053 -2.107 1.00 0.00 C ATOM 171 OD1 ASP A 44 -1.325 17.863 -3.335 1.00 0.00 O ATOM 172 OD2 ASP A 44 -2.553 18.215 -1.547 1.00 0.00 O ATOM 0 H ASP A 44 0.607 17.447 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 44 1.686 17.081 -1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.466 17.905 -0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.243 19.083 -1.299 1.00 0.00 H new ATOM 177 N ALA A 45 0.835 14.734 -2.404 1.00 0.00 N ATOM 178 CA ALA A 45 0.353 13.359 -2.457 1.00 0.00 C ATOM 179 C ALA A 45 0.352 12.724 -1.071 1.00 0.00 C ATOM 180 O ALA A 45 0.681 13.376 -0.079 1.00 0.00 O ATOM 181 CB ALA A 45 1.203 12.538 -3.415 1.00 0.00 C ATOM 0 H ALA A 45 1.659 14.914 -2.978 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.674 13.374 -2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.832 11.514 -3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.149 12.972 -4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.239 12.539 -3.075 1.00 0.00 H new ATOM 187 N ILE A 46 -0.021 11.450 -1.009 1.00 0.00 N ATOM 188 CA ILE A 46 -0.064 10.728 0.256 1.00 0.00 C ATOM 189 C ILE A 46 0.386 9.282 0.079 1.00 0.00 C ATOM 190 O ILE A 46 -0.021 8.604 -0.864 1.00 0.00 O ATOM 191 CB ILE A 46 -1.479 10.743 0.864 1.00 0.00 C ATOM 192 CG1 ILE A 46 -1.994 12.179 0.978 1.00 0.00 C ATOM 193 CG2 ILE A 46 -1.477 10.066 2.227 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.435 12.270 1.431 1.00 0.00 C ATOM 0 H ILE A 46 -0.298 10.897 -1.820 1.00 0.00 H new ATOM 0 HA ILE A 46 0.620 11.238 0.934 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.147 10.189 0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.366 12.727 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.894 12.670 0.010 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.484 10.085 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.148 9.033 2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.798 10.595 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.733 13.317 1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.074 11.750 0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.538 11.808 2.413 1.00 0.00 H new ATOM 206 N LYS A 47 1.228 8.814 0.995 1.00 0.00 N ATOM 207 CA LYS A 47 1.733 7.447 0.944 1.00 0.00 C ATOM 208 C LYS A 47 0.936 6.538 1.874 1.00 0.00 C ATOM 209 O LYS A 47 1.130 6.554 3.090 1.00 0.00 O ATOM 210 CB LYS A 47 3.214 7.414 1.326 1.00 0.00 C ATOM 211 CG LYS A 47 3.812 6.018 1.322 1.00 0.00 C ATOM 212 CD LYS A 47 5.302 6.048 1.621 1.00 0.00 C ATOM 213 CE LYS A 47 5.881 4.645 1.708 1.00 0.00 C ATOM 214 NZ LYS A 47 6.158 4.074 0.361 1.00 0.00 N ATOM 0 H LYS A 47 1.575 9.362 1.782 1.00 0.00 H new ATOM 0 HA LYS A 47 1.620 7.082 -0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.774 8.042 0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.334 7.849 2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.304 5.401 2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.644 5.552 0.351 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.819 6.609 0.842 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.475 6.573 2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.803 4.668 2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.185 3.997 2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.552 3.117 0.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.274 4.028 -0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.842 4.678 -0.138 1.00 0.00 H new ATOM 228 N LEU A 48 0.040 5.746 1.295 1.00 0.00 N ATOM 229 CA LEU A 48 -0.785 4.828 2.073 1.00 0.00 C ATOM 230 C LEU A 48 0.015 3.598 2.492 1.00 0.00 C ATOM 231 O LEU A 48 0.922 3.164 1.782 1.00 0.00 O ATOM 232 CB LEU A 48 -2.011 4.402 1.263 1.00 0.00 C ATOM 233 CG LEU A 48 -3.126 5.440 1.137 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.148 5.003 0.099 1.00 0.00 C ATOM 235 CD2 LEU A 48 -3.796 5.669 2.484 1.00 0.00 C ATOM 0 H LEU A 48 -0.134 5.721 0.290 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.114 5.348 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.682 4.128 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.428 3.504 1.718 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.685 6.381 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.934 5.754 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.659 4.891 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.585 4.050 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.587 6.411 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.224 4.732 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.058 6.028 3.201 1.00 0.00 H new ATOM 247 N PHE A 49 -0.330 3.040 3.647 1.00 0.00 N ATOM 248 CA PHE A 49 0.355 1.859 4.160 1.00 0.00 C ATOM 249 C PHE A 49 -0.645 0.765 4.523 1.00 0.00 C ATOM 250 O PHE A 49 -1.591 0.998 5.276 1.00 0.00 O ATOM 251 CB PHE A 49 1.196 2.224 5.385 1.00 0.00 C ATOM 252 CG PHE A 49 1.461 1.060 6.298 1.00 0.00 C ATOM 253 CD1 PHE A 49 2.509 0.189 6.045 1.00 0.00 C ATOM 254 CD2 PHE A 49 0.663 0.838 7.408 1.00 0.00 C ATOM 255 CE1 PHE A 49 2.754 -0.882 6.883 1.00 0.00 C ATOM 256 CE2 PHE A 49 0.904 -0.232 8.250 1.00 0.00 C ATOM 257 CZ PHE A 49 1.952 -1.092 7.987 1.00 0.00 C ATOM 0 H PHE A 49 -1.080 3.386 4.246 1.00 0.00 H new ATOM 0 HA PHE A 49 1.012 1.481 3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.148 2.639 5.052 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.686 3.007 5.946 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.141 0.349 5.184 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.157 1.508 7.618 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.573 -1.555 6.674 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.274 -0.395 9.112 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.144 -1.928 8.644 1.00 0.00 H new ATOM 267 N VAL A 50 -0.430 -0.429 3.981 1.00 0.00 N ATOM 268 CA VAL A 50 -1.311 -1.560 4.246 1.00 0.00 C ATOM 269 C VAL A 50 -0.633 -2.583 5.150 1.00 0.00 C ATOM 270 O VAL A 50 0.486 -3.019 4.883 1.00 0.00 O ATOM 271 CB VAL A 50 -1.745 -2.252 2.941 1.00 0.00 C ATOM 272 CG1 VAL A 50 -2.623 -3.457 3.242 1.00 0.00 C ATOM 273 CG2 VAL A 50 -2.468 -1.269 2.032 1.00 0.00 C ATOM 0 H VAL A 50 0.348 -0.638 3.355 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.193 -1.163 4.748 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.853 -2.603 2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.920 -3.933 2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.067 -4.169 3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.512 -3.133 3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.768 -1.775 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.353 -0.886 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.802 -0.441 1.789 1.00 0.00 H new ATOM 283 N GLY A 51 -1.321 -2.965 6.223 1.00 0.00 N ATOM 284 CA GLY A 51 -0.770 -3.936 7.150 1.00 0.00 C ATOM 285 C GLY A 51 -1.673 -5.139 7.334 1.00 0.00 C ATOM 286 O GLY A 51 -1.744 -5.708 8.423 1.00 0.00 O ATOM 0 H GLY A 51 -2.249 -2.619 6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.203 -4.268 6.788 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.605 -3.459 8.116 1.00 0.00 H new ATOM 290 N GLN A 52 -2.365 -5.526 6.268 1.00 0.00 N ATOM 291 CA GLN A 52 -3.269 -6.669 6.318 1.00 0.00 C ATOM 292 C GLN A 52 -3.072 -7.573 5.106 1.00 0.00 C ATOM 293 O GLN A 52 -4.039 -8.071 4.527 1.00 0.00 O ATOM 294 CB GLN A 52 -4.722 -6.194 6.384 1.00 0.00 C ATOM 295 CG GLN A 52 -5.135 -5.688 7.757 1.00 0.00 C ATOM 296 CD GLN A 52 -5.236 -6.800 8.782 1.00 0.00 C ATOM 297 OE1 GLN A 52 -5.957 -7.779 8.585 1.00 0.00 O ATOM 298 NE2 GLN A 52 -4.510 -6.657 9.885 1.00 0.00 N ATOM 0 H GLN A 52 -2.317 -5.065 5.359 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.040 -7.242 7.216 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.869 -5.399 5.653 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.378 -7.016 6.097 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.412 -4.948 8.100 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.097 -5.182 7.679 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.926 -5.830 10.008 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.536 -7.375 10.609 1.00 0.00 H new ATOM 307 N ILE A 53 -1.816 -7.782 4.728 1.00 0.00 N ATOM 308 CA ILE A 53 -1.493 -8.627 3.585 1.00 0.00 C ATOM 309 C ILE A 53 -0.891 -9.954 4.035 1.00 0.00 C ATOM 310 O ILE A 53 0.205 -10.009 4.594 1.00 0.00 O ATOM 311 CB ILE A 53 -0.509 -7.928 2.628 1.00 0.00 C ATOM 312 CG1 ILE A 53 -1.051 -6.558 2.216 1.00 0.00 C ATOM 313 CG2 ILE A 53 -0.256 -8.794 1.403 1.00 0.00 C ATOM 314 CD1 ILE A 53 0.012 -5.624 1.682 1.00 0.00 C ATOM 0 H ILE A 53 -1.005 -7.378 5.196 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.428 -8.815 3.058 1.00 0.00 H new ATOM 0 HB ILE A 53 0.438 -7.782 3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.819 -6.694 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.533 -6.093 3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.441 -8.286 0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.169 -9.749 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.196 -8.968 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.444 -4.672 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.769 -5.458 2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.478 -6.068 0.802 1.00 0.00 H new ATOM 326 N PRO A 54 -1.622 -11.050 3.786 1.00 0.00 N ATOM 327 CA PRO A 54 -1.179 -12.398 4.156 1.00 0.00 C ATOM 328 C PRO A 54 -0.001 -12.873 3.312 1.00 0.00 C ATOM 329 O PRO A 54 0.616 -12.087 2.593 1.00 0.00 O ATOM 330 CB PRO A 54 -2.413 -13.263 3.886 1.00 0.00 C ATOM 331 CG PRO A 54 -3.180 -12.517 2.849 1.00 0.00 C ATOM 332 CD PRO A 54 -2.938 -11.059 3.124 1.00 0.00 C ATOM 0 HA PRO A 54 -0.827 -12.443 5.187 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -2.131 -14.255 3.533 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.004 -13.403 4.791 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.845 -12.786 1.847 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.243 -12.753 2.904 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.929 -10.473 2.205 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.713 -10.637 3.764 1.00 0.00 H new ATOM 340 N ARG A 55 0.305 -14.163 3.404 1.00 0.00 N ATOM 341 CA ARG A 55 1.410 -14.741 2.649 1.00 0.00 C ATOM 342 C ARG A 55 0.897 -15.488 1.421 1.00 0.00 C ATOM 343 O ARG A 55 -0.056 -16.261 1.505 1.00 0.00 O ATOM 344 CB ARG A 55 2.219 -15.690 3.535 1.00 0.00 C ATOM 345 CG ARG A 55 1.428 -16.895 4.019 1.00 0.00 C ATOM 346 CD ARG A 55 1.523 -18.054 3.039 1.00 0.00 C ATOM 347 NE ARG A 55 2.709 -18.874 3.275 1.00 0.00 N ATOM 348 CZ ARG A 55 2.920 -20.047 2.688 1.00 0.00 C ATOM 349 NH1 ARG A 55 2.029 -20.535 1.835 1.00 0.00 N ATOM 350 NH2 ARG A 55 4.023 -20.734 2.954 1.00 0.00 N ATOM 0 H ARG A 55 -0.197 -14.827 3.994 1.00 0.00 H new ATOM 0 HA ARG A 55 2.055 -13.928 2.316 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.090 -16.037 2.980 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.590 -15.139 4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.802 -17.209 4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.383 -16.616 4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.631 -18.674 3.123 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.547 -17.667 2.020 1.00 0.00 H new ATOM 0 HE ARG A 55 3.413 -18.527 3.926 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.180 -20.009 1.628 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.193 -21.436 1.386 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.710 -20.362 3.610 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.184 -21.635 2.503 1.00 0.00 H new ATOM 364 N GLY A 56 1.537 -15.251 0.280 1.00 0.00 N ATOM 365 CA GLY A 56 1.131 -15.907 -0.949 1.00 0.00 C ATOM 366 C GLY A 56 0.810 -14.921 -2.054 1.00 0.00 C ATOM 367 O GLY A 56 0.923 -15.245 -3.237 1.00 0.00 O ATOM 0 H GLY A 56 2.330 -14.616 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.927 -16.574 -1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.256 -16.527 -0.754 1.00 0.00 H new ATOM 371 N LEU A 57 0.406 -13.716 -1.670 1.00 0.00 N ATOM 372 CA LEU A 57 0.065 -12.679 -2.638 1.00 0.00 C ATOM 373 C LEU A 57 1.216 -11.693 -2.808 1.00 0.00 C ATOM 374 O LEU A 57 2.115 -11.622 -1.970 1.00 0.00 O ATOM 375 CB LEU A 57 -1.197 -11.936 -2.195 1.00 0.00 C ATOM 376 CG LEU A 57 -2.411 -12.807 -1.874 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.542 -11.960 -1.311 1.00 0.00 C ATOM 378 CD2 LEU A 57 -2.871 -13.560 -3.114 1.00 0.00 C ATOM 0 H LEU A 57 0.306 -13.432 -0.695 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.122 -13.160 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.955 -11.345 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.476 -11.234 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.121 -13.537 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.398 -12.597 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.208 -11.468 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.832 -11.206 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.736 -14.175 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.143 -12.847 -3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.063 -14.198 -3.473 1.00 0.00 H new ATOM 390 N ASP A 58 1.181 -10.933 -3.897 1.00 0.00 N ATOM 391 CA ASP A 58 2.220 -9.948 -4.176 1.00 0.00 C ATOM 392 C ASP A 58 1.609 -8.636 -4.658 1.00 0.00 C ATOM 393 O ASP A 58 0.388 -8.482 -4.687 1.00 0.00 O ATOM 394 CB ASP A 58 3.195 -10.486 -5.224 1.00 0.00 C ATOM 395 CG ASP A 58 3.758 -11.842 -4.848 1.00 0.00 C ATOM 396 OD1 ASP A 58 3.038 -12.850 -5.011 1.00 0.00 O ATOM 397 OD2 ASP A 58 4.919 -11.896 -4.391 1.00 0.00 O ATOM 0 H ASP A 58 0.444 -10.980 -4.601 1.00 0.00 H new ATOM 0 HA ASP A 58 2.763 -9.757 -3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.686 -10.561 -6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.014 -9.778 -5.351 1.00 0.00 H new ATOM 402 N GLU A 59 2.467 -7.692 -5.035 1.00 0.00 N ATOM 403 CA GLU A 59 2.010 -6.393 -5.514 1.00 0.00 C ATOM 404 C GLU A 59 1.098 -6.550 -6.727 1.00 0.00 C ATOM 405 O GLU A 59 0.351 -5.637 -7.076 1.00 0.00 O ATOM 406 CB GLU A 59 3.206 -5.508 -5.872 1.00 0.00 C ATOM 407 CG GLU A 59 4.174 -5.297 -4.720 1.00 0.00 C ATOM 408 CD GLU A 59 5.593 -5.042 -5.189 1.00 0.00 C ATOM 409 OE1 GLU A 59 5.762 -4.505 -6.304 1.00 0.00 O ATOM 410 OE2 GLU A 59 6.534 -5.378 -4.441 1.00 0.00 O ATOM 0 H GLU A 59 3.481 -7.803 -5.018 1.00 0.00 H new ATOM 0 HA GLU A 59 1.442 -5.918 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.742 -5.957 -6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.841 -4.538 -6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.837 -4.453 -4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.161 -6.175 -4.074 1.00 0.00 H new ATOM 417 N GLN A 60 1.167 -7.714 -7.365 1.00 0.00 N ATOM 418 CA GLN A 60 0.349 -7.990 -8.540 1.00 0.00 C ATOM 419 C GLN A 60 -1.063 -8.399 -8.136 1.00 0.00 C ATOM 420 O GLN A 60 -1.982 -8.388 -8.955 1.00 0.00 O ATOM 421 CB GLN A 60 0.990 -9.091 -9.387 1.00 0.00 C ATOM 422 CG GLN A 60 2.239 -8.640 -10.127 1.00 0.00 C ATOM 423 CD GLN A 60 1.924 -7.979 -11.454 1.00 0.00 C ATOM 424 OE1 GLN A 60 2.203 -6.796 -11.653 1.00 0.00 O ATOM 425 NE2 GLN A 60 1.339 -8.740 -12.371 1.00 0.00 N ATOM 0 H GLN A 60 1.780 -8.480 -7.088 1.00 0.00 H new ATOM 0 HA GLN A 60 0.287 -7.077 -9.132 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.244 -9.933 -8.742 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.260 -9.453 -10.111 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.796 -7.943 -9.501 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.886 -9.500 -10.298 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.126 -9.716 -12.164 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.103 -8.349 -13.283 1.00 0.00 H new ATOM 434 N ASP A 61 -1.229 -8.761 -6.868 1.00 0.00 N ATOM 435 CA ASP A 61 -2.530 -9.174 -6.355 1.00 0.00 C ATOM 436 C ASP A 61 -3.235 -8.011 -5.662 1.00 0.00 C ATOM 437 O ASP A 61 -4.460 -7.999 -5.538 1.00 0.00 O ATOM 438 CB ASP A 61 -2.370 -10.343 -5.381 1.00 0.00 C ATOM 439 CG ASP A 61 -3.700 -10.840 -4.850 1.00 0.00 C ATOM 440 OD1 ASP A 61 -4.365 -10.082 -4.113 1.00 0.00 O ATOM 441 OD2 ASP A 61 -4.076 -11.987 -5.171 1.00 0.00 O ATOM 0 H ASP A 61 -0.479 -8.777 -6.177 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.141 -9.495 -7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.853 -11.162 -5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.742 -10.033 -4.546 1.00 0.00 H new ATOM 446 N LEU A 62 -2.453 -7.036 -5.212 1.00 0.00 N ATOM 447 CA LEU A 62 -3.002 -5.869 -4.530 1.00 0.00 C ATOM 448 C LEU A 62 -3.279 -4.742 -5.519 1.00 0.00 C ATOM 449 O LEU A 62 -4.135 -3.889 -5.281 1.00 0.00 O ATOM 450 CB LEU A 62 -2.036 -5.386 -3.446 1.00 0.00 C ATOM 451 CG LEU A 62 -1.784 -6.356 -2.291 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.612 -5.884 -1.444 1.00 0.00 C ATOM 453 CD2 LEU A 62 -3.035 -6.506 -1.438 1.00 0.00 C ATOM 0 H LEU A 62 -1.437 -7.030 -5.307 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.944 -6.160 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.080 -5.156 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.421 -4.453 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.534 -7.331 -2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.447 -6.586 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.284 -5.829 -2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.832 -4.898 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.837 -7.200 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.316 -5.535 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.850 -6.891 -2.051 1.00 0.00 H new ATOM 465 N LYS A 63 -2.552 -4.744 -6.631 1.00 0.00 N ATOM 466 CA LYS A 63 -2.721 -3.725 -7.659 1.00 0.00 C ATOM 467 C LYS A 63 -4.173 -3.654 -8.122 1.00 0.00 C ATOM 468 O LYS A 63 -4.753 -2.578 -8.261 1.00 0.00 O ATOM 469 CB LYS A 63 -1.808 -4.017 -8.852 1.00 0.00 C ATOM 470 CG LYS A 63 -1.315 -2.768 -9.561 1.00 0.00 C ATOM 471 CD LYS A 63 -0.676 -3.102 -10.899 1.00 0.00 C ATOM 472 CE LYS A 63 -0.093 -1.863 -11.562 1.00 0.00 C ATOM 473 NZ LYS A 63 0.907 -2.214 -12.609 1.00 0.00 N ATOM 0 H LYS A 63 -1.839 -5.442 -6.843 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.448 -2.762 -7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.949 -4.593 -8.509 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.345 -4.641 -9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.149 -2.083 -9.716 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.592 -2.252 -8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.111 -3.842 -10.753 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.420 -3.552 -11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.897 -1.278 -12.009 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.378 -1.234 -10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.281 -1.343 -13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.687 -2.751 -12.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.452 -2.793 -13.343 1.00 0.00 H new ATOM 487 N PRO A 64 -4.775 -4.828 -8.366 1.00 0.00 N ATOM 488 CA PRO A 64 -6.167 -4.925 -8.814 1.00 0.00 C ATOM 489 C PRO A 64 -7.107 -4.066 -7.976 1.00 0.00 C ATOM 490 O PRO A 64 -7.830 -3.221 -8.506 1.00 0.00 O ATOM 491 CB PRO A 64 -6.494 -6.410 -8.634 1.00 0.00 C ATOM 492 CG PRO A 64 -5.179 -7.103 -8.733 1.00 0.00 C ATOM 493 CD PRO A 64 -4.143 -6.150 -8.221 1.00 0.00 C ATOM 0 HA PRO A 64 -6.293 -4.568 -9.836 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.968 -6.597 -7.671 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.184 -6.759 -9.402 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.182 -8.022 -8.146 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.968 -7.385 -9.765 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.887 -6.359 -7.182 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.220 -6.217 -8.796 1.00 0.00 H new ATOM 501 N LEU A 65 -7.093 -4.287 -6.667 1.00 0.00 N ATOM 502 CA LEU A 65 -7.946 -3.532 -5.754 1.00 0.00 C ATOM 503 C LEU A 65 -7.623 -2.043 -5.815 1.00 0.00 C ATOM 504 O LEU A 65 -8.510 -1.213 -6.018 1.00 0.00 O ATOM 505 CB LEU A 65 -7.774 -4.045 -4.323 1.00 0.00 C ATOM 506 CG LEU A 65 -8.508 -5.342 -3.982 1.00 0.00 C ATOM 507 CD1 LEU A 65 -8.188 -5.778 -2.561 1.00 0.00 C ATOM 508 CD2 LEU A 65 -10.009 -5.170 -4.165 1.00 0.00 C ATOM 0 H LEU A 65 -6.501 -4.982 -6.213 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.982 -3.673 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.710 -4.193 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.112 -3.268 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.167 -6.121 -4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.719 -6.703 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.115 -5.943 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.500 -5.001 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.515 -6.103 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.367 -4.378 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.221 -4.906 -5.201 1.00 0.00 H new ATOM 520 N PHE A 66 -6.349 -1.710 -5.640 1.00 0.00 N ATOM 521 CA PHE A 66 -5.909 -0.321 -5.676 1.00 0.00 C ATOM 522 C PHE A 66 -6.267 0.329 -7.010 1.00 0.00 C ATOM 523 O PHE A 66 -6.435 1.545 -7.094 1.00 0.00 O ATOM 524 CB PHE A 66 -4.399 -0.235 -5.444 1.00 0.00 C ATOM 525 CG PHE A 66 -3.968 -0.760 -4.104 1.00 0.00 C ATOM 526 CD1 PHE A 66 -4.703 -0.476 -2.964 1.00 0.00 C ATOM 527 CD2 PHE A 66 -2.828 -1.539 -3.985 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.308 -0.957 -1.731 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.429 -2.024 -2.753 1.00 0.00 C ATOM 530 CZ PHE A 66 -3.170 -1.733 -1.625 1.00 0.00 C ATOM 0 H PHE A 66 -5.602 -2.384 -5.472 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.423 0.217 -4.880 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.887 -0.795 -6.227 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.084 0.804 -5.537 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.595 0.128 -3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.245 -1.770 -4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.889 -0.727 -0.850 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.539 -2.630 -2.673 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.861 -2.111 -0.662 1.00 0.00 H new ATOM 540 N GLU A 67 -6.381 -0.492 -8.049 1.00 0.00 N ATOM 541 CA GLU A 67 -6.718 0.002 -9.379 1.00 0.00 C ATOM 542 C GLU A 67 -8.227 0.167 -9.532 1.00 0.00 C ATOM 543 O GLU A 67 -8.708 0.649 -10.557 1.00 0.00 O ATOM 544 CB GLU A 67 -6.186 -0.951 -10.451 1.00 0.00 C ATOM 545 CG GLU A 67 -4.733 -0.705 -10.818 1.00 0.00 C ATOM 546 CD GLU A 67 -4.405 -1.144 -12.232 1.00 0.00 C ATOM 547 OE1 GLU A 67 -4.888 -2.220 -12.645 1.00 0.00 O ATOM 548 OE2 GLU A 67 -3.666 -0.415 -12.925 1.00 0.00 O ATOM 0 H GLU A 67 -6.245 -1.501 -7.996 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.249 0.978 -9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.294 -1.977 -10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.799 -0.855 -11.347 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.510 0.356 -10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.090 -1.238 -10.118 1.00 0.00 H new ATOM 555 N GLU A 68 -8.968 -0.238 -8.505 1.00 0.00 N ATOM 556 CA GLU A 68 -10.423 -0.137 -8.527 1.00 0.00 C ATOM 557 C GLU A 68 -10.874 1.284 -8.198 1.00 0.00 C ATOM 558 O GLU A 68 -11.989 1.685 -8.531 1.00 0.00 O ATOM 559 CB GLU A 68 -11.040 -1.122 -7.532 1.00 0.00 C ATOM 560 CG GLU A 68 -12.510 -1.406 -7.789 1.00 0.00 C ATOM 561 CD GLU A 68 -12.727 -2.339 -8.965 1.00 0.00 C ATOM 562 OE1 GLU A 68 -12.306 -3.511 -8.879 1.00 0.00 O ATOM 563 OE2 GLU A 68 -13.319 -1.895 -9.971 1.00 0.00 O ATOM 0 H GLU A 68 -8.585 -0.639 -7.649 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.764 -0.385 -9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.485 -2.060 -7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.926 -0.725 -6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.953 -1.845 -6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.031 -0.467 -7.974 1.00 0.00 H new ATOM 570 N PHE A 69 -9.999 2.039 -7.543 1.00 0.00 N ATOM 571 CA PHE A 69 -10.307 3.415 -7.167 1.00 0.00 C ATOM 572 C PHE A 69 -9.573 4.402 -8.070 1.00 0.00 C ATOM 573 O PHE A 69 -10.158 5.372 -8.552 1.00 0.00 O ATOM 574 CB PHE A 69 -9.929 3.664 -5.706 1.00 0.00 C ATOM 575 CG PHE A 69 -10.645 2.765 -4.739 1.00 0.00 C ATOM 576 CD1 PHE A 69 -11.873 3.130 -4.212 1.00 0.00 C ATOM 577 CD2 PHE A 69 -10.090 1.553 -4.358 1.00 0.00 C ATOM 578 CE1 PHE A 69 -12.534 2.305 -3.322 1.00 0.00 C ATOM 579 CE2 PHE A 69 -10.747 0.724 -3.469 1.00 0.00 C ATOM 580 CZ PHE A 69 -11.971 1.100 -2.951 1.00 0.00 C ATOM 0 H PHE A 69 -9.071 1.722 -7.261 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.380 3.567 -7.288 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.854 3.527 -5.589 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.147 4.702 -5.455 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.319 4.070 -4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.134 1.254 -4.761 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.490 2.602 -2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.304 -0.217 -3.179 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.487 0.453 -2.257 1.00 0.00 H new ATOM 590 N GLY A 70 -8.288 4.148 -8.294 1.00 0.00 N ATOM 591 CA GLY A 70 -7.494 5.022 -9.137 1.00 0.00 C ATOM 592 C GLY A 70 -6.187 4.386 -9.566 1.00 0.00 C ATOM 593 O GLY A 70 -5.824 3.313 -9.083 1.00 0.00 O ATOM 0 H GLY A 70 -7.782 3.352 -7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.071 5.290 -10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.285 5.947 -8.600 1.00 0.00 H new ATOM 597 N ARG A 71 -5.479 5.046 -10.476 1.00 0.00 N ATOM 598 CA ARG A 71 -4.207 4.536 -10.972 1.00 0.00 C ATOM 599 C ARG A 71 -3.134 4.605 -9.889 1.00 0.00 C ATOM 600 O ARG A 71 -2.993 5.619 -9.205 1.00 0.00 O ATOM 601 CB ARG A 71 -3.758 5.332 -12.199 1.00 0.00 C ATOM 602 CG ARG A 71 -2.434 4.861 -12.780 1.00 0.00 C ATOM 603 CD ARG A 71 -2.369 5.097 -14.280 1.00 0.00 C ATOM 604 NE ARG A 71 -1.998 6.472 -14.603 1.00 0.00 N ATOM 605 CZ ARG A 71 -1.560 6.855 -15.797 1.00 0.00 C ATOM 606 NH1 ARG A 71 -1.439 5.971 -16.777 1.00 0.00 N ATOM 607 NH2 ARG A 71 -1.243 8.125 -16.013 1.00 0.00 N ATOM 0 H ARG A 71 -5.765 5.936 -10.885 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.348 3.493 -11.255 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.528 5.263 -12.968 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.672 6.384 -11.928 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.614 5.387 -12.292 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.301 3.799 -12.571 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.646 4.413 -14.723 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.338 4.869 -14.725 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.080 7.178 -13.871 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.683 4.994 -16.615 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.102 6.268 -17.693 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.335 8.809 -15.262 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.907 8.418 -16.930 1.00 0.00 H new ATOM 621 N ILE A 72 -2.383 3.519 -9.738 1.00 0.00 N ATOM 622 CA ILE A 72 -1.323 3.457 -8.739 1.00 0.00 C ATOM 623 C ILE A 72 -0.046 4.116 -9.249 1.00 0.00 C ATOM 624 O ILE A 72 0.272 4.040 -10.436 1.00 0.00 O ATOM 625 CB ILE A 72 -1.013 2.003 -8.338 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.274 1.315 -7.811 1.00 0.00 C ATOM 627 CG2 ILE A 72 0.093 1.966 -7.294 1.00 0.00 C ATOM 628 CD1 ILE A 72 -2.203 -0.195 -7.856 1.00 0.00 C ATOM 0 H ILE A 72 -2.489 2.671 -10.294 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.682 3.998 -7.864 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.671 1.464 -9.221 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.448 1.632 -6.783 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.131 1.648 -8.396 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.301 0.932 -7.021 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.995 2.421 -7.703 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.223 2.519 -6.409 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.131 -0.615 -7.467 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.060 -0.522 -8.886 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.367 -0.538 -7.247 1.00 0.00 H new ATOM 640 N TYR A 73 0.682 4.761 -8.345 1.00 0.00 N ATOM 641 CA TYR A 73 1.925 5.434 -8.703 1.00 0.00 C ATOM 642 C TYR A 73 3.133 4.578 -8.336 1.00 0.00 C ATOM 643 O TYR A 73 4.170 4.634 -8.996 1.00 0.00 O ATOM 644 CB TYR A 73 2.015 6.791 -8.003 1.00 0.00 C ATOM 645 CG TYR A 73 3.277 7.557 -8.328 1.00 0.00 C ATOM 646 CD1 TYR A 73 4.521 7.087 -7.927 1.00 0.00 C ATOM 647 CD2 TYR A 73 3.225 8.752 -9.036 1.00 0.00 C ATOM 648 CE1 TYR A 73 5.677 7.785 -8.221 1.00 0.00 C ATOM 649 CE2 TYR A 73 4.375 9.455 -9.335 1.00 0.00 C ATOM 650 CZ TYR A 73 5.599 8.968 -8.926 1.00 0.00 C ATOM 651 OH TYR A 73 6.747 9.666 -9.222 1.00 0.00 O ATOM 0 H TYR A 73 0.433 4.832 -7.358 1.00 0.00 H new ATOM 0 HA TYR A 73 1.927 5.589 -9.782 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.151 7.394 -8.285 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.960 6.639 -6.925 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.586 6.160 -7.376 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.269 9.137 -9.358 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.636 7.406 -7.900 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.317 10.382 -9.886 1.00 0.00 H new ATOM 0 HH TYR A 73 6.624 10.156 -10.062 1.00 0.00 H new ATOM 661 N GLU A 74 2.990 3.787 -7.278 1.00 0.00 N ATOM 662 CA GLU A 74 4.069 2.919 -6.821 1.00 0.00 C ATOM 663 C GLU A 74 3.585 1.981 -5.720 1.00 0.00 C ATOM 664 O GLU A 74 2.859 2.392 -4.813 1.00 0.00 O ATOM 665 CB GLU A 74 5.246 3.755 -6.314 1.00 0.00 C ATOM 666 CG GLU A 74 6.370 2.925 -5.717 1.00 0.00 C ATOM 667 CD GLU A 74 7.372 2.466 -6.758 1.00 0.00 C ATOM 668 OE1 GLU A 74 6.965 1.758 -7.702 1.00 0.00 O ATOM 669 OE2 GLU A 74 8.564 2.815 -6.628 1.00 0.00 O ATOM 0 H GLU A 74 2.138 3.729 -6.721 1.00 0.00 H new ATOM 0 HA GLU A 74 4.399 2.316 -7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.642 4.347 -7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.885 4.457 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.885 3.511 -4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.947 2.054 -5.216 1.00 0.00 H new ATOM 676 N LEU A 75 3.990 0.719 -5.805 1.00 0.00 N ATOM 677 CA LEU A 75 3.598 -0.280 -4.816 1.00 0.00 C ATOM 678 C LEU A 75 4.801 -1.102 -4.366 1.00 0.00 C ATOM 679 O LEU A 75 5.464 -1.749 -5.177 1.00 0.00 O ATOM 680 CB LEU A 75 2.522 -1.202 -5.393 1.00 0.00 C ATOM 681 CG LEU A 75 1.840 -2.142 -4.398 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.519 -1.408 -3.105 1.00 0.00 C ATOM 683 CD2 LEU A 75 0.577 -2.735 -5.005 1.00 0.00 C ATOM 0 H LEU A 75 4.590 0.363 -6.549 1.00 0.00 H new ATOM 0 HA LEU A 75 3.194 0.242 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.756 -0.584 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.973 -1.805 -6.181 1.00 0.00 H new ATOM 0 HG LEU A 75 2.526 -2.957 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.034 -2.092 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.441 -1.032 -2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.852 -0.573 -3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.105 -3.401 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.114 -1.932 -5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.834 -3.297 -5.903 1.00 0.00 H new ATOM 695 N THR A 76 5.077 -1.075 -3.066 1.00 0.00 N ATOM 696 CA THR A 76 6.199 -1.818 -2.507 1.00 0.00 C ATOM 697 C THR A 76 5.760 -2.665 -1.318 1.00 0.00 C ATOM 698 O THR A 76 4.991 -2.212 -0.470 1.00 0.00 O ATOM 699 CB THR A 76 7.331 -0.874 -2.059 1.00 0.00 C ATOM 700 OG1 THR A 76 8.058 -0.405 -3.200 1.00 0.00 O ATOM 701 CG2 THR A 76 8.280 -1.582 -1.103 1.00 0.00 C ATOM 0 H THR A 76 4.538 -0.546 -2.380 1.00 0.00 H new ATOM 0 HA THR A 76 6.571 -2.470 -3.297 1.00 0.00 H new ATOM 0 HB THR A 76 6.883 -0.026 -1.540 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.775 0.196 -2.907 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.071 -0.896 -0.800 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.730 -1.912 -0.222 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.720 -2.446 -1.601 1.00 0.00 H new ATOM 709 N VAL A 77 6.253 -3.898 -1.262 1.00 0.00 N ATOM 710 CA VAL A 77 5.913 -4.809 -0.175 1.00 0.00 C ATOM 711 C VAL A 77 7.044 -4.896 0.844 1.00 0.00 C ATOM 712 O VAL A 77 8.217 -4.983 0.480 1.00 0.00 O ATOM 713 CB VAL A 77 5.603 -6.222 -0.704 1.00 0.00 C ATOM 714 CG1 VAL A 77 5.292 -7.167 0.447 1.00 0.00 C ATOM 715 CG2 VAL A 77 4.450 -6.179 -1.695 1.00 0.00 C ATOM 0 H VAL A 77 6.889 -4.289 -1.957 1.00 0.00 H new ATOM 0 HA VAL A 77 5.023 -4.407 0.309 1.00 0.00 H new ATOM 0 HB VAL A 77 6.485 -6.598 -1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.076 -8.160 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.151 -7.221 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.426 -6.798 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.245 -7.186 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.562 -5.783 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.716 -5.537 -2.535 1.00 0.00 H new ATOM 725 N LEU A 78 6.683 -4.873 2.122 1.00 0.00 N ATOM 726 CA LEU A 78 7.668 -4.950 3.196 1.00 0.00 C ATOM 727 C LEU A 78 8.010 -6.401 3.518 1.00 0.00 C ATOM 728 O LEU A 78 7.123 -7.222 3.751 1.00 0.00 O ATOM 729 CB LEU A 78 7.141 -4.248 4.449 1.00 0.00 C ATOM 730 CG LEU A 78 7.113 -2.720 4.401 1.00 0.00 C ATOM 731 CD1 LEU A 78 6.072 -2.174 5.365 1.00 0.00 C ATOM 732 CD2 LEU A 78 8.488 -2.151 4.720 1.00 0.00 C ATOM 0 H LEU A 78 5.717 -4.802 2.440 1.00 0.00 H new ATOM 0 HA LEU A 78 8.575 -4.448 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.129 -4.604 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.754 -4.554 5.297 1.00 0.00 H new ATOM 0 HG LEU A 78 6.840 -2.413 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.067 -1.085 5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.088 -2.554 5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.314 -2.491 6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.449 -1.062 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.790 -2.468 5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.211 -2.515 3.989 1.00 0.00 H new ATOM 744 N LYS A 79 9.302 -6.709 3.532 1.00 0.00 N ATOM 745 CA LYS A 79 9.764 -8.060 3.829 1.00 0.00 C ATOM 746 C LYS A 79 10.958 -8.031 4.778 1.00 0.00 C ATOM 747 O LYS A 79 11.747 -7.086 4.769 1.00 0.00 O ATOM 748 CB LYS A 79 10.142 -8.788 2.537 1.00 0.00 C ATOM 749 CG LYS A 79 9.015 -8.851 1.522 1.00 0.00 C ATOM 750 CD LYS A 79 9.263 -9.929 0.479 1.00 0.00 C ATOM 751 CE LYS A 79 8.461 -9.674 -0.787 1.00 0.00 C ATOM 752 NZ LYS A 79 9.145 -10.212 -1.995 1.00 0.00 N ATOM 0 H LYS A 79 10.049 -6.041 3.341 1.00 0.00 H new ATOM 0 HA LYS A 79 8.949 -8.597 4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.999 -8.288 2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.457 -9.803 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.073 -9.049 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.913 -7.884 1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.325 -9.965 0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.996 -10.903 0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.477 -10.133 -0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.302 -8.602 -0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.566 -10.018 -2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.074 -9.756 -2.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.274 -11.239 -1.893 1.00 0.00 H new ATOM 766 N ASP A 80 11.085 -9.072 5.593 1.00 0.00 N ATOM 767 CA ASP A 80 12.185 -9.166 6.546 1.00 0.00 C ATOM 768 C ASP A 80 13.531 -9.088 5.832 1.00 0.00 C ATOM 769 O ASP A 80 13.596 -9.131 4.603 1.00 0.00 O ATOM 770 CB ASP A 80 12.091 -10.471 7.339 1.00 0.00 C ATOM 771 CG ASP A 80 12.692 -10.350 8.725 1.00 0.00 C ATOM 772 OD1 ASP A 80 12.028 -9.775 9.613 1.00 0.00 O ATOM 773 OD2 ASP A 80 13.827 -10.832 8.923 1.00 0.00 O ATOM 0 H ASP A 80 10.440 -9.862 5.613 1.00 0.00 H new ATOM 0 HA ASP A 80 12.109 -8.324 7.234 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.045 -10.767 7.424 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.603 -11.263 6.792 1.00 0.00 H new ATOM 778 N ARG A 81 14.602 -8.971 6.610 1.00 0.00 N ATOM 779 CA ARG A 81 15.946 -8.884 6.051 1.00 0.00 C ATOM 780 C ARG A 81 16.754 -10.136 6.380 1.00 0.00 C ATOM 781 O ARG A 81 17.503 -10.642 5.543 1.00 0.00 O ATOM 782 CB ARG A 81 16.665 -7.645 6.589 1.00 0.00 C ATOM 783 CG ARG A 81 16.749 -7.600 8.106 1.00 0.00 C ATOM 784 CD ARG A 81 17.589 -6.425 8.582 1.00 0.00 C ATOM 785 NE ARG A 81 19.007 -6.764 8.666 1.00 0.00 N ATOM 786 CZ ARG A 81 19.980 -5.860 8.661 1.00 0.00 C ATOM 787 NH1 ARG A 81 19.690 -4.569 8.578 1.00 0.00 N ATOM 788 NH2 ARG A 81 21.247 -6.246 8.740 1.00 0.00 N ATOM 0 H ARG A 81 14.565 -8.934 7.629 1.00 0.00 H new ATOM 0 HA ARG A 81 15.857 -8.804 4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.673 -7.613 6.177 1.00 0.00 H new ATOM 0 HB3 ARG A 81 16.148 -6.753 6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 81 15.746 -7.525 8.525 1.00 0.00 H new ATOM 0 HG3 ARG A 81 17.180 -8.530 8.476 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.457 -5.585 7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.236 -6.100 9.560 1.00 0.00 H new ATOM 0 HE ARG A 81 19.264 -7.749 8.732 1.00 0.00 H new ATOM 0 HH11 ARG A 81 18.717 -4.268 8.518 1.00 0.00 H new ATOM 0 HH12 ARG A 81 20.439 -3.877 8.574 1.00 0.00 H new ATOM 0 HH21 ARG A 81 21.475 -7.238 8.805 1.00 0.00 H new ATOM 0 HH22 ARG A 81 21.993 -5.551 8.736 1.00 0.00 H new ATOM 802 N LEU A 82 16.596 -10.632 7.602 1.00 0.00 N ATOM 803 CA LEU A 82 17.310 -11.826 8.042 1.00 0.00 C ATOM 804 C LEU A 82 16.667 -13.086 7.472 1.00 0.00 C ATOM 805 O LEU A 82 17.356 -14.052 7.140 1.00 0.00 O ATOM 806 CB LEU A 82 17.332 -11.897 9.570 1.00 0.00 C ATOM 807 CG LEU A 82 18.306 -10.950 10.272 1.00 0.00 C ATOM 808 CD1 LEU A 82 17.894 -10.737 11.720 1.00 0.00 C ATOM 809 CD2 LEU A 82 19.726 -11.492 10.194 1.00 0.00 C ATOM 0 H LEU A 82 15.980 -10.226 8.306 1.00 0.00 H new ATOM 0 HA LEU A 82 18.334 -11.764 7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 82 16.327 -11.690 9.938 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.575 -12.918 9.863 1.00 0.00 H new ATOM 0 HG LEU A 82 18.277 -9.987 9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.599 -10.060 12.203 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.894 -10.304 11.754 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.893 -11.694 12.243 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.406 -10.805 10.699 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.770 -12.468 10.678 1.00 0.00 H new ATOM 0 HD23 LEU A 82 20.021 -11.592 9.149 1.00 0.00 H new ATOM 821 N THR A 83 15.343 -13.070 7.360 1.00 0.00 N ATOM 822 CA THR A 83 14.607 -14.210 6.829 1.00 0.00 C ATOM 823 C THR A 83 14.212 -13.981 5.374 1.00 0.00 C ATOM 824 O THR A 83 14.154 -14.920 4.581 1.00 0.00 O ATOM 825 CB THR A 83 13.338 -14.493 7.655 1.00 0.00 C ATOM 826 OG1 THR A 83 12.531 -13.313 7.734 1.00 0.00 O ATOM 827 CG2 THR A 83 13.698 -14.962 9.056 1.00 0.00 C ATOM 0 H THR A 83 14.758 -12.279 7.630 1.00 0.00 H new ATOM 0 HA THR A 83 15.272 -15.072 6.891 1.00 0.00 H new ATOM 0 HB THR A 83 12.776 -15.284 7.157 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.726 -13.502 8.259 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.786 -15.156 9.620 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.287 -15.877 8.993 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.280 -14.190 9.560 1.00 0.00 H new ATOM 835 N GLY A 84 13.942 -12.726 5.030 1.00 0.00 N ATOM 836 CA GLY A 84 13.557 -12.396 3.670 1.00 0.00 C ATOM 837 C GLY A 84 12.159 -12.875 3.331 1.00 0.00 C ATOM 838 O GLY A 84 11.815 -13.033 2.159 1.00 0.00 O ATOM 0 H GLY A 84 13.983 -11.932 5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.611 -11.316 3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.269 -12.842 2.976 1.00 0.00 H new ATOM 842 N LEU A 85 11.350 -13.108 4.359 1.00 0.00 N ATOM 843 CA LEU A 85 9.981 -13.574 4.165 1.00 0.00 C ATOM 844 C LEU A 85 9.013 -12.398 4.082 1.00 0.00 C ATOM 845 O LEU A 85 9.351 -11.274 4.455 1.00 0.00 O ATOM 846 CB LEU A 85 9.572 -14.506 5.306 1.00 0.00 C ATOM 847 CG LEU A 85 10.442 -15.749 5.502 1.00 0.00 C ATOM 848 CD1 LEU A 85 10.067 -16.465 6.791 1.00 0.00 C ATOM 849 CD2 LEU A 85 10.308 -16.686 4.311 1.00 0.00 C ATOM 0 H LEU A 85 11.618 -12.982 5.335 1.00 0.00 H new ATOM 0 HA LEU A 85 9.940 -14.123 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.575 -13.935 6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.545 -14.829 5.134 1.00 0.00 H new ATOM 0 HG LEU A 85 11.483 -15.433 5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.696 -17.347 6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.215 -15.793 7.637 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.021 -16.769 6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.934 -17.565 4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.268 -16.995 4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.626 -16.171 3.405 1.00 0.00 H new ATOM 861 N HIS A 86 7.806 -12.665 3.592 1.00 0.00 N ATOM 862 CA HIS A 86 6.787 -11.630 3.463 1.00 0.00 C ATOM 863 C HIS A 86 6.229 -11.244 4.830 1.00 0.00 C ATOM 864 O HIS A 86 5.375 -11.938 5.382 1.00 0.00 O ATOM 865 CB HIS A 86 5.655 -12.109 2.554 1.00 0.00 C ATOM 866 CG HIS A 86 4.762 -11.006 2.077 1.00 0.00 C ATOM 867 ND1 HIS A 86 4.266 -10.026 2.911 1.00 0.00 N ATOM 868 CD2 HIS A 86 4.277 -10.729 0.844 1.00 0.00 C ATOM 869 CE1 HIS A 86 3.513 -9.196 2.212 1.00 0.00 C ATOM 870 NE2 HIS A 86 3.504 -9.600 0.955 1.00 0.00 N ATOM 0 H HIS A 86 7.510 -13.589 3.278 1.00 0.00 H new ATOM 0 HA HIS A 86 7.252 -10.750 3.018 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.084 -12.617 1.690 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.055 -12.844 3.091 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.463 -11.291 -0.059 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.993 -8.334 2.602 1.00 0.00 H new ATOM 0 HE2 HIS A 86 3.004 -9.147 0.190 1.00 0.00 H new ATOM 879 N LYS A 87 6.717 -10.133 5.370 1.00 0.00 N ATOM 880 CA LYS A 87 6.267 -9.653 6.672 1.00 0.00 C ATOM 881 C LYS A 87 4.744 -9.577 6.727 1.00 0.00 C ATOM 882 O LYS A 87 4.121 -10.093 7.653 1.00 0.00 O ATOM 883 CB LYS A 87 6.868 -8.277 6.967 1.00 0.00 C ATOM 884 CG LYS A 87 8.296 -8.335 7.482 1.00 0.00 C ATOM 885 CD LYS A 87 9.061 -7.064 7.149 1.00 0.00 C ATOM 886 CE LYS A 87 8.686 -5.926 8.086 1.00 0.00 C ATOM 887 NZ LYS A 87 9.449 -4.684 7.783 1.00 0.00 N ATOM 0 H LYS A 87 7.425 -9.547 4.926 1.00 0.00 H new ATOM 0 HA LYS A 87 6.606 -10.360 7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.843 -7.676 6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.246 -7.768 7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.289 -8.484 8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.807 -9.193 7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.132 -7.254 7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.854 -6.772 6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.618 -5.725 8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.876 -6.226 9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.083 -3.902 8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.455 -4.833 8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.343 -4.448 6.776 1.00 0.00 H new ATOM 901 N GLY A 88 4.152 -8.929 5.728 1.00 0.00 N ATOM 902 CA GLY A 88 2.707 -8.799 5.682 1.00 0.00 C ATOM 903 C GLY A 88 2.258 -7.354 5.597 1.00 0.00 C ATOM 904 O GLY A 88 1.282 -6.961 6.238 1.00 0.00 O ATOM 0 H GLY A 88 4.647 -8.492 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.323 -9.347 4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.275 -9.259 6.571 1.00 0.00 H new ATOM 908 N CYS A 89 2.971 -6.559 4.807 1.00 0.00 N ATOM 909 CA CYS A 89 2.642 -5.148 4.643 1.00 0.00 C ATOM 910 C CYS A 89 3.154 -4.622 3.306 1.00 0.00 C ATOM 911 O CYS A 89 3.998 -5.246 2.664 1.00 0.00 O ATOM 912 CB CYS A 89 3.236 -4.328 5.789 1.00 0.00 C ATOM 913 SG CYS A 89 2.809 -4.942 7.435 1.00 0.00 S ATOM 0 H CYS A 89 3.781 -6.868 4.270 1.00 0.00 H new ATOM 0 HA CYS A 89 1.557 -5.049 4.660 1.00 0.00 H new ATOM 0 HB2 CYS A 89 4.321 -4.315 5.688 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.895 -3.297 5.698 1.00 0.00 H new ATOM 0 HG CYS A 89 1.829 -5.791 7.341 1.00 0.00 H new ATOM 919 N ALA A 90 2.636 -3.470 2.892 1.00 0.00 N ATOM 920 CA ALA A 90 3.042 -2.860 1.631 1.00 0.00 C ATOM 921 C ALA A 90 2.640 -1.390 1.580 1.00 0.00 C ATOM 922 O ALA A 90 1.539 -1.021 1.989 1.00 0.00 O ATOM 923 CB ALA A 90 2.434 -3.616 0.459 1.00 0.00 C ATOM 0 H ALA A 90 1.935 -2.941 3.411 1.00 0.00 H new ATOM 0 HA ALA A 90 4.128 -2.916 1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.745 -3.150 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.773 -4.652 0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.347 -3.589 0.533 1.00 0.00 H new ATOM 929 N PHE A 91 3.541 -0.553 1.074 1.00 0.00 N ATOM 930 CA PHE A 91 3.281 0.878 0.970 1.00 0.00 C ATOM 931 C PHE A 91 2.697 1.227 -0.396 1.00 0.00 C ATOM 932 O PHE A 91 3.324 0.994 -1.430 1.00 0.00 O ATOM 933 CB PHE A 91 4.569 1.670 1.204 1.00 0.00 C ATOM 934 CG PHE A 91 5.034 1.649 2.632 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.234 2.157 3.643 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.272 1.122 2.964 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.660 2.139 4.957 1.00 0.00 C ATOM 938 CE2 PHE A 91 6.704 1.102 4.277 1.00 0.00 C ATOM 939 CZ PHE A 91 5.896 1.610 5.275 1.00 0.00 C ATOM 0 H PHE A 91 4.457 -0.841 0.730 1.00 0.00 H new ATOM 0 HA PHE A 91 2.553 1.146 1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.356 1.265 0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.411 2.704 0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.267 2.572 3.401 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.907 0.722 2.187 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.027 2.538 5.736 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.672 0.690 4.522 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.230 1.594 6.302 1.00 0.00 H new ATOM 949 N LEU A 92 1.492 1.787 -0.392 1.00 0.00 N ATOM 950 CA LEU A 92 0.821 2.168 -1.630 1.00 0.00 C ATOM 951 C LEU A 92 0.888 3.677 -1.843 1.00 0.00 C ATOM 952 O LEU A 92 0.670 4.457 -0.915 1.00 0.00 O ATOM 953 CB LEU A 92 -0.638 1.709 -1.605 1.00 0.00 C ATOM 954 CG LEU A 92 -1.520 2.216 -2.746 1.00 0.00 C ATOM 955 CD1 LEU A 92 -1.121 1.562 -4.060 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.988 1.954 -2.442 1.00 0.00 C ATOM 0 H LEU A 92 0.960 1.987 0.455 1.00 0.00 H new ATOM 0 HA LEU A 92 1.335 1.679 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.655 0.619 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.082 2.026 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.376 3.292 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.760 1.935 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.081 1.800 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.236 0.481 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.601 2.321 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.149 0.883 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.267 2.470 -1.523 1.00 0.00 H new ATOM 968 N THR A 93 1.190 4.083 -3.072 1.00 0.00 N ATOM 969 CA THR A 93 1.285 5.498 -3.408 1.00 0.00 C ATOM 970 C THR A 93 0.418 5.836 -4.615 1.00 0.00 C ATOM 971 O THR A 93 0.632 5.316 -5.710 1.00 0.00 O ATOM 972 CB THR A 93 2.740 5.909 -3.704 1.00 0.00 C ATOM 973 OG1 THR A 93 3.566 5.642 -2.565 1.00 0.00 O ATOM 974 CG2 THR A 93 2.823 7.386 -4.061 1.00 0.00 C ATOM 0 H THR A 93 1.373 3.451 -3.852 1.00 0.00 H new ATOM 0 HA THR A 93 0.928 6.053 -2.541 1.00 0.00 H new ATOM 0 HB THR A 93 3.093 5.325 -4.554 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.489 5.904 -2.762 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.860 7.653 -4.266 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.216 7.581 -4.945 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.452 7.983 -3.228 1.00 0.00 H new ATOM 982 N TYR A 94 -0.561 6.711 -4.409 1.00 0.00 N ATOM 983 CA TYR A 94 -1.462 7.117 -5.481 1.00 0.00 C ATOM 984 C TYR A 94 -0.977 8.404 -6.141 1.00 0.00 C ATOM 985 O TYR A 94 -0.428 9.286 -5.479 1.00 0.00 O ATOM 986 CB TYR A 94 -2.879 7.310 -4.938 1.00 0.00 C ATOM 987 CG TYR A 94 -3.668 6.025 -4.835 1.00 0.00 C ATOM 988 CD1 TYR A 94 -3.935 5.258 -5.963 1.00 0.00 C ATOM 989 CD2 TYR A 94 -4.149 5.578 -3.611 1.00 0.00 C ATOM 990 CE1 TYR A 94 -4.656 4.084 -5.874 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.870 4.404 -3.512 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.122 3.660 -4.647 1.00 0.00 C ATOM 993 OH TYR A 94 -5.841 2.491 -4.553 1.00 0.00 O ATOM 0 H TYR A 94 -0.750 7.152 -3.509 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.473 6.327 -6.232 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.822 7.771 -3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.415 8.005 -5.584 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.572 5.586 -6.926 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.956 6.159 -2.721 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.854 3.500 -6.761 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.235 4.070 -2.552 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.230 2.275 -5.426 1.00 0.00 H new ATOM 1003 N CYS A 95 -1.186 8.505 -7.449 1.00 0.00 N ATOM 1004 CA CYS A 95 -0.771 9.684 -8.201 1.00 0.00 C ATOM 1005 C CYS A 95 -1.440 10.940 -7.654 1.00 0.00 C ATOM 1006 O CYS A 95 -0.824 12.003 -7.581 1.00 0.00 O ATOM 1007 CB CYS A 95 -1.109 9.514 -9.683 1.00 0.00 C ATOM 1008 SG CYS A 95 -0.259 8.133 -10.481 1.00 0.00 S ATOM 0 H CYS A 95 -1.640 7.785 -8.011 1.00 0.00 H new ATOM 0 HA CYS A 95 0.308 9.793 -8.093 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.185 9.372 -9.785 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.857 10.435 -10.210 1.00 0.00 H new ATOM 0 HG CYS A 95 -0.611 8.071 -11.731 1.00 0.00 H new ATOM 1014 N ALA A 96 -2.707 10.811 -7.272 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.460 11.936 -6.732 1.00 0.00 C ATOM 1016 C ALA A 96 -3.701 11.767 -5.236 1.00 0.00 C ATOM 1017 O ALA A 96 -3.340 10.747 -4.650 1.00 0.00 O ATOM 1018 CB ALA A 96 -4.783 12.088 -7.468 1.00 0.00 C ATOM 0 H ALA A 96 -3.233 9.939 -7.327 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.870 12.840 -6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.335 12.932 -7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.592 12.263 -8.527 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.371 11.178 -7.351 1.00 0.00 H new ATOM 1024 N ARG A 97 -4.314 12.775 -4.622 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.601 12.738 -3.193 1.00 0.00 C ATOM 1026 C ARG A 97 -5.969 12.117 -2.930 1.00 0.00 C ATOM 1027 O ARG A 97 -6.169 11.435 -1.925 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.548 14.149 -2.604 1.00 0.00 C ATOM 1029 CG ARG A 97 -5.431 15.148 -3.335 1.00 0.00 C ATOM 1030 CD ARG A 97 -4.654 15.900 -4.404 1.00 0.00 C ATOM 1031 NE ARG A 97 -4.073 17.137 -3.890 1.00 0.00 N ATOM 1032 CZ ARG A 97 -4.784 18.226 -3.618 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -6.096 18.230 -3.808 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -4.182 19.313 -3.152 1.00 0.00 N ATOM 0 H ARG A 97 -4.621 13.627 -5.092 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.842 12.122 -2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.850 14.108 -1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.518 14.504 -2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.271 14.626 -3.794 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.849 15.857 -2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -3.861 15.261 -4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.316 16.130 -5.239 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.066 17.167 -3.731 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.562 17.396 -4.164 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.639 19.068 -3.598 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -3.173 19.313 -3.002 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.728 20.149 -2.943 1.00 0.00 H new ATOM 1048 N ASP A 98 -6.908 12.359 -3.839 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.257 11.823 -3.705 1.00 0.00 C ATOM 1050 C ASP A 98 -8.239 10.297 -3.705 1.00 0.00 C ATOM 1051 O ASP A 98 -8.700 9.661 -2.758 1.00 0.00 O ATOM 1052 CB ASP A 98 -9.147 12.334 -4.839 1.00 0.00 C ATOM 1053 CG ASP A 98 -10.604 12.435 -4.432 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -10.883 12.418 -3.215 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -11.465 12.531 -5.331 1.00 0.00 O ATOM 0 H ASP A 98 -6.759 12.923 -4.676 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.663 12.164 -2.753 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.794 13.314 -5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.058 11.666 -5.696 1.00 0.00 H new ATOM 1060 N SER A 99 -7.703 9.717 -4.774 1.00 0.00 N ATOM 1061 CA SER A 99 -7.629 8.266 -4.900 1.00 0.00 C ATOM 1062 C SER A 99 -7.252 7.624 -3.568 1.00 0.00 C ATOM 1063 O SER A 99 -7.745 6.551 -3.222 1.00 0.00 O ATOM 1064 CB SER A 99 -6.610 7.877 -5.973 1.00 0.00 C ATOM 1065 OG SER A 99 -6.941 8.455 -7.224 1.00 0.00 O ATOM 0 H SER A 99 -7.314 10.229 -5.565 1.00 0.00 H new ATOM 0 HA SER A 99 -8.613 7.901 -5.194 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.615 8.204 -5.670 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.574 6.792 -6.068 1.00 0.00 H new ATOM 0 HG SER A 99 -6.274 8.193 -7.892 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.374 8.290 -2.825 1.00 0.00 N ATOM 1072 CA ALA A 100 -5.932 7.787 -1.530 1.00 0.00 C ATOM 1073 C ALA A 100 -7.068 7.814 -0.513 1.00 0.00 C ATOM 1074 O ALA A 100 -7.343 6.815 0.153 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.748 8.598 -1.025 1.00 0.00 C ATOM 0 H ALA A 100 -5.955 9.179 -3.098 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.620 6.751 -1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.428 8.211 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.925 8.522 -1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.041 9.643 -0.920 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.724 8.963 -0.398 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.831 9.121 0.540 1.00 0.00 C ATOM 1083 C LEU A 101 -9.929 8.100 0.262 1.00 0.00 C ATOM 1084 O LEU A 101 -10.430 7.446 1.178 1.00 0.00 O ATOM 1085 CB LEU A 101 -9.402 10.538 0.451 1.00 0.00 C ATOM 1086 CG LEU A 101 -8.398 11.678 0.626 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -8.952 12.970 0.046 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -8.046 11.859 2.095 1.00 0.00 C ATOM 0 H LEU A 101 -7.509 9.799 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.449 8.952 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.886 10.653 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -10.178 10.644 1.209 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.488 11.421 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.224 13.770 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.152 12.835 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.877 13.232 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.330 12.675 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.949 12.093 2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.606 10.939 2.480 1.00 0.00 H new ATOM 1100 N LYS A 102 -10.298 7.966 -1.007 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.335 7.021 -1.407 1.00 0.00 C ATOM 1102 C LYS A 102 -10.937 5.593 -1.050 1.00 0.00 C ATOM 1103 O LYS A 102 -11.536 4.973 -0.172 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.597 7.128 -2.911 1.00 0.00 C ATOM 1105 CG LYS A 102 -12.382 8.367 -3.305 1.00 0.00 C ATOM 1106 CD LYS A 102 -12.385 8.570 -4.811 1.00 0.00 C ATOM 1107 CE LYS A 102 -11.217 9.435 -5.259 1.00 0.00 C ATOM 1108 NZ LYS A 102 -11.547 10.225 -6.477 1.00 0.00 N ATOM 0 H LYS A 102 -9.895 8.500 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.248 7.271 -0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.643 7.130 -3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.142 6.243 -3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.408 8.278 -2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.950 9.242 -2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.335 7.602 -5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.322 9.037 -5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.936 10.112 -4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.353 8.802 -5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.796 10.100 -7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.452 9.896 -6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.623 11.232 -6.228 1.00 0.00 H new ATOM 1122 N ALA A 103 -9.921 5.078 -1.734 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.441 3.724 -1.486 1.00 0.00 C ATOM 1124 C ALA A 103 -9.149 3.508 -0.005 1.00 0.00 C ATOM 1125 O ALA A 103 -9.386 2.426 0.531 1.00 0.00 O ATOM 1126 CB ALA A 103 -8.197 3.444 -2.317 1.00 0.00 C ATOM 0 H ALA A 103 -9.414 5.578 -2.464 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.226 3.027 -1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.850 2.429 -2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.435 3.548 -3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.414 4.153 -2.050 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.633 4.543 0.649 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.308 4.464 2.068 1.00 0.00 C ATOM 1134 C GLN A 104 -9.556 4.183 2.898 1.00 0.00 C ATOM 1135 O GLN A 104 -9.667 3.136 3.535 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.653 5.765 2.536 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.410 5.819 4.036 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.458 7.231 4.584 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -8.267 7.542 5.459 1.00 0.00 O ATOM 1140 NE2 GLN A 104 -6.590 8.096 4.072 1.00 0.00 N ATOM 0 H GLN A 104 -8.431 5.446 0.219 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.607 3.641 2.209 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.702 5.890 2.018 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.286 6.605 2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -8.159 5.211 4.544 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.438 5.380 4.259 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.937 7.795 3.348 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.576 9.061 4.403 1.00 0.00 H new ATOM 1149 N SER A 105 -10.494 5.125 2.885 1.00 0.00 N ATOM 1150 CA SER A 105 -11.733 4.981 3.640 1.00 0.00 C ATOM 1151 C SER A 105 -12.666 3.979 2.966 1.00 0.00 C ATOM 1152 O SER A 105 -13.728 3.651 3.493 1.00 0.00 O ATOM 1153 CB SER A 105 -12.433 6.334 3.777 1.00 0.00 C ATOM 1154 OG SER A 105 -11.687 7.213 4.600 1.00 0.00 O ATOM 0 H SER A 105 -10.419 5.996 2.360 1.00 0.00 H new ATOM 0 HA SER A 105 -11.483 4.608 4.633 1.00 0.00 H new ATOM 0 HB2 SER A 105 -12.567 6.779 2.791 1.00 0.00 H new ATOM 0 HB3 SER A 105 -13.428 6.191 4.200 1.00 0.00 H new ATOM 0 HG SER A 105 -12.155 8.071 4.670 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.260 3.497 1.796 1.00 0.00 N ATOM 1161 CA ALA A 106 -13.058 2.532 1.049 1.00 0.00 C ATOM 1162 C ALA A 106 -12.558 1.110 1.283 1.00 0.00 C ATOM 1163 O ALA A 106 -13.297 0.142 1.093 1.00 0.00 O ATOM 1164 CB ALA A 106 -13.035 2.864 -0.435 1.00 0.00 C ATOM 0 H ALA A 106 -11.383 3.759 1.345 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.086 2.592 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.635 2.135 -0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.446 3.862 -0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -12.008 2.833 -0.799 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.301 0.989 1.695 1.00 0.00 N ATOM 1171 CA LEU A 107 -10.702 -0.315 1.954 1.00 0.00 C ATOM 1172 C LEU A 107 -10.503 -0.535 3.450 1.00 0.00 C ATOM 1173 O LEU A 107 -10.733 -1.631 3.963 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.363 -0.437 1.226 1.00 0.00 C ATOM 1175 CG LEU A 107 -9.427 -0.445 -0.302 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.028 -0.424 -0.896 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -10.200 -1.659 -0.797 1.00 0.00 C ATOM 0 H LEU A 107 -10.676 1.779 1.857 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.382 -1.080 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.726 0.390 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.876 -1.356 1.554 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.951 0.453 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.095 -0.430 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.507 0.476 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.477 -1.303 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.236 -1.648 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.704 -2.569 -0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.215 -1.630 -0.401 1.00 0.00 H new ATOM 1189 N HIS A 108 -10.075 0.514 4.146 1.00 0.00 N ATOM 1190 CA HIS A 108 -9.847 0.436 5.584 1.00 0.00 C ATOM 1191 C HIS A 108 -11.052 -0.175 6.293 1.00 0.00 C ATOM 1192 O HIS A 108 -12.107 0.451 6.394 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.558 1.826 6.152 1.00 0.00 C ATOM 1194 CG HIS A 108 -9.022 1.802 7.550 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.733 1.417 7.855 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.607 2.119 8.728 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.550 1.498 9.161 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.672 1.922 9.714 1.00 0.00 N ATOM 0 H HIS A 108 -9.879 1.428 3.737 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.983 -0.206 5.755 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -8.841 2.332 5.505 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.475 2.415 6.133 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.621 2.463 8.867 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.638 1.258 9.687 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.820 2.078 10.711 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.888 -1.401 6.780 1.00 0.00 N ATOM 1207 CA GLU A 109 -11.963 -2.096 7.477 1.00 0.00 C ATOM 1208 C GLU A 109 -13.203 -2.204 6.595 1.00 0.00 C ATOM 1209 O GLU A 109 -14.328 -2.042 7.066 1.00 0.00 O ATOM 1210 CB GLU A 109 -12.311 -1.370 8.778 1.00 0.00 C ATOM 1211 CG GLU A 109 -11.127 -1.199 9.715 1.00 0.00 C ATOM 1212 CD GLU A 109 -11.541 -1.134 11.172 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -12.215 -0.155 11.556 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -11.192 -2.064 11.930 1.00 0.00 O ATOM 0 H GLU A 109 -10.021 -1.933 6.705 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.617 -3.102 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.719 -0.388 8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.095 -1.923 9.294 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.435 -2.029 9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.590 -0.288 9.453 1.00 0.00 H new ATOM 1221 N GLN A 110 -12.988 -2.478 5.312 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.087 -2.606 4.363 1.00 0.00 C ATOM 1223 C GLN A 110 -13.988 -3.916 3.588 1.00 0.00 C ATOM 1224 O GLN A 110 -14.979 -4.627 3.420 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.091 -1.424 3.392 1.00 0.00 C ATOM 1226 CG GLN A 110 -15.474 -1.073 2.867 1.00 0.00 C ATOM 1227 CD GLN A 110 -15.598 0.388 2.483 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -16.044 0.717 1.383 1.00 0.00 O ATOM 1229 NE2 GLN A 110 -15.203 1.275 3.389 1.00 0.00 N ATOM 0 H GLN A 110 -12.062 -2.616 4.906 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.021 -2.608 4.926 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.669 -0.552 3.892 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.439 -1.654 2.549 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.697 -1.693 1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.218 -1.309 3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.840 0.958 4.288 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.263 2.273 3.186 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.786 -4.229 3.118 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.556 -5.454 2.361 1.00 0.00 C ATOM 1240 C LYS A 111 -11.939 -6.533 3.246 1.00 0.00 C ATOM 1241 O LYS A 111 -11.358 -6.237 4.290 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.641 -5.176 1.166 1.00 0.00 C ATOM 1243 CG LYS A 111 -11.883 -6.100 -0.014 1.00 0.00 C ATOM 1244 CD LYS A 111 -13.217 -5.812 -0.683 1.00 0.00 C ATOM 1245 CE LYS A 111 -13.085 -4.734 -1.748 1.00 0.00 C ATOM 1246 NZ LYS A 111 -14.394 -4.095 -2.056 1.00 0.00 N ATOM 0 H LYS A 111 -11.955 -3.651 3.248 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.519 -5.813 1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.782 -4.144 0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.603 -5.271 1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -11.078 -5.983 -0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.860 -7.136 0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -13.604 -6.726 -1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -13.941 -5.496 0.068 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.381 -3.974 -1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.671 -5.170 -2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.261 -3.366 -2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -15.059 -4.816 -2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -14.777 -3.656 -1.195 1.00 0.00 H new ATOM 1260 N THR A 112 -12.069 -7.786 2.821 1.00 0.00 N ATOM 1261 CA THR A 112 -11.524 -8.909 3.575 1.00 0.00 C ATOM 1262 C THR A 112 -10.781 -9.876 2.660 1.00 0.00 C ATOM 1263 O THR A 112 -11.390 -10.741 2.030 1.00 0.00 O ATOM 1264 CB THR A 112 -12.633 -9.674 4.321 1.00 0.00 C ATOM 1265 OG1 THR A 112 -13.214 -8.838 5.328 1.00 0.00 O ATOM 1266 CG2 THR A 112 -12.080 -10.938 4.962 1.00 0.00 C ATOM 0 H THR A 112 -12.547 -8.049 1.959 1.00 0.00 H new ATOM 0 HA THR A 112 -10.827 -8.494 4.303 1.00 0.00 H new ATOM 0 HB THR A 112 -13.399 -9.956 3.598 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.919 -9.332 5.796 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.881 -11.462 5.483 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.665 -11.586 4.190 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.297 -10.673 5.673 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.463 -9.725 2.594 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.636 -10.587 1.756 1.00 0.00 C ATOM 1276 C LEU A 113 -8.895 -12.058 2.065 1.00 0.00 C ATOM 1277 O LEU A 113 -9.345 -12.419 3.153 1.00 0.00 O ATOM 1278 CB LEU A 113 -7.155 -10.263 1.963 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.645 -8.992 1.284 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -5.184 -8.750 1.632 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -6.828 -9.082 -0.224 1.00 0.00 C ATOM 0 H LEU A 113 -8.944 -9.015 3.110 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.900 -10.402 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.968 -10.179 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.565 -11.106 1.602 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.229 -8.148 1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.838 -7.841 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.081 -8.640 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.585 -9.596 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.459 -8.168 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.270 -9.936 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.886 -9.206 -0.455 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.602 -12.929 1.088 1.00 0.00 N ATOM 1294 CA PRO A 114 -8.793 -14.375 1.233 1.00 0.00 C ATOM 1295 C PRO A 114 -7.804 -14.994 2.215 1.00 0.00 C ATOM 1296 O PRO A 114 -6.591 -14.890 2.038 1.00 0.00 O ATOM 1297 CB PRO A 114 -8.548 -14.909 -0.180 1.00 0.00 C ATOM 1298 CG PRO A 114 -7.664 -13.895 -0.820 1.00 0.00 C ATOM 1299 CD PRO A 114 -8.062 -12.569 -0.234 1.00 0.00 C ATOM 0 HA PRO A 114 -9.779 -14.618 1.630 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.073 -15.890 -0.156 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.483 -15.021 -0.728 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.614 -14.111 -0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.789 -13.896 -1.903 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.210 -11.895 -0.150 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.808 -12.065 -0.849 1.00 0.00 H new ATOM 1307 N GLY A 115 -8.331 -15.639 3.252 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.480 -16.266 4.246 1.00 0.00 C ATOM 1309 C GLY A 115 -7.241 -15.375 5.449 1.00 0.00 C ATOM 1310 O GLY A 115 -6.526 -15.752 6.377 1.00 0.00 O ATOM 0 H GLY A 115 -9.332 -15.738 3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -7.937 -17.200 4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.523 -16.522 3.791 1.00 0.00 H new ATOM 1314 N MET A 116 -7.839 -14.188 5.433 1.00 0.00 N ATOM 1315 CA MET A 116 -7.687 -13.241 6.531 1.00 0.00 C ATOM 1316 C MET A 116 -9.014 -13.025 7.251 1.00 0.00 C ATOM 1317 O MET A 116 -9.927 -12.400 6.715 1.00 0.00 O ATOM 1318 CB MET A 116 -7.153 -11.905 6.010 1.00 0.00 C ATOM 1319 CG MET A 116 -5.666 -11.926 5.694 1.00 0.00 C ATOM 1320 SD MET A 116 -4.650 -12.214 7.156 1.00 0.00 S ATOM 1321 CE MET A 116 -3.605 -10.759 7.133 1.00 0.00 C ATOM 0 H MET A 116 -8.433 -13.859 4.672 1.00 0.00 H new ATOM 0 HA MET A 116 -6.973 -13.658 7.241 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.703 -11.629 5.110 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.347 -11.131 6.753 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.466 -12.705 4.958 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.381 -10.977 5.240 1.00 0.00 H new ATOM 0 HE1 MET A 116 -2.918 -10.791 7.979 1.00 0.00 H new ATOM 0 HE2 MET A 116 -3.035 -10.735 6.204 1.00 0.00 H new ATOM 0 HE3 MET A 116 -4.225 -9.865 7.202 1.00 0.00 H new ATOM 1331 N ASN A 117 -9.113 -13.548 8.469 1.00 0.00 N ATOM 1332 CA ASN A 117 -10.329 -13.413 9.262 1.00 0.00 C ATOM 1333 C ASN A 117 -10.699 -11.944 9.445 1.00 0.00 C ATOM 1334 O ASN A 117 -11.877 -11.595 9.525 1.00 0.00 O ATOM 1335 CB ASN A 117 -10.149 -14.078 10.628 1.00 0.00 C ATOM 1336 CG ASN A 117 -8.811 -13.745 11.261 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -8.588 -12.621 11.713 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -7.914 -14.723 11.297 1.00 0.00 N ATOM 0 H ASN A 117 -8.366 -14.069 8.928 1.00 0.00 H new ATOM 0 HA ASN A 117 -11.138 -13.910 8.727 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -10.952 -13.759 11.293 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -10.237 -15.159 10.517 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -6.997 -14.559 11.711 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -8.142 -15.639 10.910 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.685 -11.087 9.508 1.00 0.00 N ATOM 1346 CA ARG A 118 -9.904 -9.656 9.682 1.00 0.00 C ATOM 1347 C ARG A 118 -9.793 -8.924 8.348 1.00 0.00 C ATOM 1348 O ARG A 118 -9.153 -9.392 7.406 1.00 0.00 O ATOM 1349 CB ARG A 118 -8.894 -9.081 10.677 1.00 0.00 C ATOM 1350 CG ARG A 118 -9.212 -9.410 12.126 1.00 0.00 C ATOM 1351 CD ARG A 118 -10.447 -8.665 12.609 1.00 0.00 C ATOM 1352 NE ARG A 118 -10.280 -7.216 12.521 1.00 0.00 N ATOM 1353 CZ ARG A 118 -11.098 -6.346 13.102 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -12.135 -6.775 13.809 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -10.881 -5.043 12.977 1.00 0.00 N ATOM 0 H ARG A 118 -8.704 -11.359 9.441 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.911 -9.513 10.074 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.902 -9.462 10.436 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.857 -7.998 10.559 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -9.369 -10.484 12.230 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -8.360 -9.150 12.755 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -11.309 -8.968 12.014 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -10.658 -8.944 13.641 1.00 0.00 H new ATOM 0 HE ARG A 118 -9.492 -6.853 11.984 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -12.306 -7.776 13.908 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -12.761 -6.104 14.254 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -10.085 -4.708 12.434 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -11.510 -4.376 13.424 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.432 -7.747 8.263 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.420 -6.925 7.049 1.00 0.00 C ATOM 1371 C PRO A 119 -9.050 -6.313 6.778 1.00 0.00 C ATOM 1372 O PRO A 119 -8.088 -6.575 7.500 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.445 -5.830 7.353 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.471 -5.736 8.839 1.00 0.00 C ATOM 1375 CD PRO A 119 -11.214 -7.128 9.346 1.00 0.00 C ATOM 0 HA PRO A 119 -10.651 -7.509 6.158 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.156 -4.881 6.902 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.427 -6.086 6.955 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.711 -5.043 9.200 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.434 -5.364 9.190 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.661 -7.118 10.285 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -12.144 -7.667 9.529 1.00 0.00 H new ATOM 1383 N ILE A 120 -8.969 -5.496 5.733 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.717 -4.845 5.368 1.00 0.00 C ATOM 1385 C ILE A 120 -7.581 -3.490 6.054 1.00 0.00 C ATOM 1386 O ILE A 120 -8.545 -2.730 6.144 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.608 -4.650 3.844 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.430 -3.733 3.509 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -8.905 -4.080 3.288 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.185 -3.582 2.023 1.00 0.00 C ATOM 0 H ILE A 120 -9.756 -5.269 5.124 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.912 -5.500 5.701 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.433 -5.621 3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.612 -2.749 3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.529 -4.126 3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.812 -3.948 2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.725 -4.767 3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -9.109 -3.117 3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.336 -2.919 1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -5.971 -4.559 1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -7.071 -3.160 1.549 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.378 -3.194 6.534 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.116 -1.930 7.211 1.00 0.00 C ATOM 1404 C GLN A 121 -5.194 -1.046 6.376 1.00 0.00 C ATOM 1405 O GLN A 121 -4.062 -1.422 6.075 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.493 -2.182 8.585 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.518 -2.367 9.693 1.00 0.00 C ATOM 1408 CD GLN A 121 -7.034 -3.790 9.778 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -6.456 -4.632 10.465 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -8.129 -4.065 9.078 1.00 0.00 N ATOM 0 H GLN A 121 -5.569 -3.812 6.467 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.067 -1.413 7.341 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.863 -3.070 8.532 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -4.843 -1.345 8.839 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -6.070 -2.089 10.647 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -7.356 -1.690 9.525 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -8.575 -3.336 8.522 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -8.523 -5.005 9.097 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.688 0.131 6.005 1.00 0.00 N ATOM 1420 CA VAL A 122 -4.909 1.069 5.205 1.00 0.00 C ATOM 1421 C VAL A 122 -4.954 2.471 5.803 1.00 0.00 C ATOM 1422 O VAL A 122 -6.029 3.023 6.039 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.417 1.126 3.753 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.527 2.027 2.910 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.489 -0.273 3.159 1.00 0.00 C ATOM 0 H VAL A 122 -6.624 0.458 6.246 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.880 0.708 5.208 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.422 1.548 3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.902 2.055 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.532 3.035 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.509 1.638 2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -5.850 -0.214 2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.497 -0.724 3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.172 -0.884 3.749 1.00 0.00 H new ATOM 1435 N LYS A 123 -3.780 3.042 6.046 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.683 4.381 6.615 1.00 0.00 C ATOM 1437 C LYS A 123 -2.600 5.194 5.914 1.00 0.00 C ATOM 1438 O LYS A 123 -1.646 4.651 5.355 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.385 4.301 8.114 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.190 3.426 8.450 1.00 0.00 C ATOM 1441 CD LYS A 123 -2.096 3.160 9.943 1.00 0.00 C ATOM 1442 CE LYS A 123 -1.164 1.997 10.245 1.00 0.00 C ATOM 1443 NZ LYS A 123 -0.653 2.043 11.643 1.00 0.00 N ATOM 0 H LYS A 123 -2.881 2.598 5.858 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.640 4.881 6.467 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.207 5.307 8.495 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.264 3.915 8.631 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -2.269 2.480 7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.276 3.910 8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -1.738 4.055 10.451 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -3.089 2.944 10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -1.692 1.057 10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -0.324 2.015 9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -0.022 1.233 11.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -0.127 2.928 11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -1.453 2.000 12.307 1.00 0.00 H new ATOM 1457 N PRO A 124 -2.746 6.527 5.942 1.00 0.00 N ATOM 1458 CA PRO A 124 -1.788 7.442 5.316 1.00 0.00 C ATOM 1459 C PRO A 124 -0.452 7.475 6.050 1.00 0.00 C ATOM 1460 O PRO A 124 -0.214 8.346 6.886 1.00 0.00 O ATOM 1461 CB PRO A 124 -2.484 8.803 5.410 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.406 8.677 6.573 1.00 0.00 C ATOM 1463 CD PRO A 124 -3.858 7.243 6.590 1.00 0.00 C ATOM 0 HA PRO A 124 -1.544 7.142 4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -1.763 9.607 5.561 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -3.030 9.033 4.495 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -2.900 8.938 7.502 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.255 9.353 6.473 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.027 6.887 7.606 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -4.793 7.110 6.046 1.00 0.00 H new ATOM 1471 N ALA A 125 0.416 6.521 5.731 1.00 0.00 N ATOM 1472 CA ALA A 125 1.729 6.443 6.359 1.00 0.00 C ATOM 1473 C ALA A 125 2.274 7.833 6.668 1.00 0.00 C ATOM 1474 O ALA A 125 2.724 8.100 7.782 1.00 0.00 O ATOM 1475 CB ALA A 125 2.697 5.681 5.466 1.00 0.00 C ATOM 0 H ALA A 125 0.234 5.792 5.042 1.00 0.00 H new ATOM 0 HA ALA A 125 1.622 5.906 7.301 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.674 5.631 5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.321 4.671 5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.790 6.195 4.509 1.00 0.00 H new ATOM 1481 N ALA A 126 2.231 8.715 5.674 1.00 0.00 N ATOM 1482 CA ALA A 126 2.719 10.078 5.841 1.00 0.00 C ATOM 1483 C ALA A 126 1.716 10.930 6.612 1.00 0.00 C ATOM 1484 O ALA A 126 0.666 11.297 6.087 1.00 0.00 O ATOM 1485 CB ALA A 126 3.012 10.703 4.485 1.00 0.00 C ATOM 0 H ALA A 126 1.863 8.509 4.745 1.00 0.00 H new ATOM 0 HA ALA A 126 3.643 10.039 6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 126 3.376 11.721 4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 126 3.770 10.114 3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 126 2.100 10.722 3.888 1.00 0.00 H new ATOM 1491 N SER A 127 2.048 11.239 7.862 1.00 0.00 N ATOM 1492 CA SER A 127 1.174 12.044 8.707 1.00 0.00 C ATOM 1493 C SER A 127 1.740 13.449 8.892 1.00 0.00 C ATOM 1494 O SER A 127 2.874 13.728 8.504 1.00 0.00 O ATOM 1495 CB SER A 127 0.989 11.374 10.070 1.00 0.00 C ATOM 1496 OG SER A 127 -0.251 11.736 10.652 1.00 0.00 O ATOM 0 H SER A 127 2.915 10.944 8.311 1.00 0.00 H new ATOM 0 HA SER A 127 0.205 12.123 8.214 1.00 0.00 H new ATOM 0 HB2 SER A 127 1.038 10.291 9.956 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.804 11.662 10.734 1.00 0.00 H new ATOM 0 HG SER A 127 -0.346 11.294 11.521 1.00 0.00 H new ATOM 1502 N GLU A 128 0.941 14.329 9.487 1.00 0.00 N ATOM 1503 CA GLU A 128 1.361 15.705 9.722 1.00 0.00 C ATOM 1504 C GLU A 128 0.450 16.386 10.739 1.00 0.00 C ATOM 1505 O GLU A 128 -0.727 16.624 10.473 1.00 0.00 O ATOM 1506 CB GLU A 128 1.360 16.494 8.411 1.00 0.00 C ATOM 1507 CG GLU A 128 2.162 17.782 8.475 1.00 0.00 C ATOM 1508 CD GLU A 128 3.641 17.562 8.219 1.00 0.00 C ATOM 1509 OE1 GLU A 128 4.365 17.220 9.178 1.00 0.00 O ATOM 1510 OE2 GLU A 128 4.073 17.731 7.060 1.00 0.00 O ATOM 0 H GLU A 128 -0.000 14.113 9.815 1.00 0.00 H new ATOM 0 HA GLU A 128 2.374 15.684 10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 128 1.763 15.864 7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 128 0.331 16.730 8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.771 18.486 7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 128 2.031 18.239 9.456 1.00 0.00 H new ATOM 1517 N GLY A 129 1.005 16.697 11.907 1.00 0.00 N ATOM 1518 CA GLY A 129 0.229 17.347 12.947 1.00 0.00 C ATOM 1519 C GLY A 129 1.052 18.330 13.756 1.00 0.00 C ATOM 1520 O GLY A 129 2.281 18.275 13.748 1.00 0.00 O ATOM 0 H GLY A 129 1.978 16.510 12.151 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -0.614 17.870 12.494 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.186 16.590 13.613 1.00 0.00 H new ATOM 1524 N ARG A 130 0.372 19.234 14.455 1.00 0.00 N ATOM 1525 CA ARG A 130 1.049 20.236 15.270 1.00 0.00 C ATOM 1526 C ARG A 130 1.130 19.787 16.726 1.00 0.00 C ATOM 1527 O ARG A 130 0.222 19.132 17.237 1.00 0.00 O ATOM 1528 CB ARG A 130 0.318 21.576 15.179 1.00 0.00 C ATOM 1529 CG ARG A 130 -1.103 21.534 15.718 1.00 0.00 C ATOM 1530 CD ARG A 130 -1.875 22.792 15.354 1.00 0.00 C ATOM 1531 NE ARG A 130 -3.265 22.728 15.796 1.00 0.00 N ATOM 1532 CZ ARG A 130 -4.201 22.017 15.177 1.00 0.00 C ATOM 1533 NH1 ARG A 130 -3.896 21.312 14.096 1.00 0.00 N ATOM 1534 NH2 ARG A 130 -5.445 22.009 15.639 1.00 0.00 N ATOM 0 H ARG A 130 -0.646 19.293 14.473 1.00 0.00 H new ATOM 0 HA ARG A 130 2.063 20.356 14.887 1.00 0.00 H new ATOM 0 HB2 ARG A 130 0.884 22.327 15.730 1.00 0.00 H new ATOM 0 HB3 ARG A 130 0.293 21.896 14.137 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -1.619 20.661 15.318 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -1.079 21.422 16.802 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -1.391 23.658 15.805 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -1.844 22.936 14.274 1.00 0.00 H new ATOM 0 HE ARG A 130 -3.532 23.258 16.625 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -2.941 21.315 13.738 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -4.617 20.767 13.623 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -5.684 22.549 16.471 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -6.162 21.463 15.163 1.00 0.00 H new ATOM 1548 N GLY A 131 2.226 20.143 17.390 1.00 0.00 N ATOM 1549 CA GLY A 131 2.407 19.768 18.780 1.00 0.00 C ATOM 1550 C GLY A 131 2.965 20.901 19.618 1.00 0.00 C ATOM 1551 O GLY A 131 3.949 21.535 19.239 1.00 0.00 O ATOM 0 H GLY A 131 2.992 20.685 16.989 1.00 0.00 H new ATOM 0 HA2 GLY A 131 1.450 19.450 19.195 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.080 18.912 18.838 1.00 0.00 H new ATOM 1555 N GLU A 132 2.333 21.157 20.760 1.00 0.00 N ATOM 1556 CA GLU A 132 2.772 22.223 21.652 1.00 0.00 C ATOM 1557 C GLU A 132 2.810 23.562 20.922 1.00 0.00 C ATOM 1558 O GLU A 132 3.738 24.352 21.098 1.00 0.00 O ATOM 1559 CB GLU A 132 4.154 21.903 22.225 1.00 0.00 C ATOM 1560 CG GLU A 132 4.472 22.655 23.507 1.00 0.00 C ATOM 1561 CD GLU A 132 3.879 21.991 24.734 1.00 0.00 C ATOM 1562 OE1 GLU A 132 4.320 20.874 25.075 1.00 0.00 O ATOM 1563 OE2 GLU A 132 2.974 22.588 25.354 1.00 0.00 O ATOM 0 H GLU A 132 1.517 20.641 21.088 1.00 0.00 H new ATOM 0 HA GLU A 132 2.055 22.295 22.470 1.00 0.00 H new ATOM 0 HB2 GLU A 132 4.219 20.832 22.417 1.00 0.00 H new ATOM 0 HB3 GLU A 132 4.911 22.140 21.478 1.00 0.00 H new ATOM 0 HG2 GLU A 132 5.553 22.726 23.624 1.00 0.00 H new ATOM 0 HG3 GLU A 132 4.092 23.674 23.430 1.00 0.00 H new ATOM 1570 N SER A 133 1.795 23.811 20.101 1.00 0.00 N ATOM 1571 CA SER A 133 1.713 25.052 19.340 1.00 0.00 C ATOM 1572 C SER A 133 0.645 25.975 19.919 1.00 0.00 C ATOM 1573 O SER A 133 -0.472 26.046 19.411 1.00 0.00 O ATOM 1574 CB SER A 133 1.405 24.756 17.871 1.00 0.00 C ATOM 1575 OG SER A 133 0.188 24.042 17.740 1.00 0.00 O ATOM 0 H SER A 133 1.017 23.169 19.946 1.00 0.00 H new ATOM 0 HA SER A 133 2.678 25.554 19.407 1.00 0.00 H new ATOM 0 HB2 SER A 133 1.344 25.691 17.313 1.00 0.00 H new ATOM 0 HB3 SER A 133 2.219 24.177 17.435 1.00 0.00 H new ATOM 0 HG SER A 133 -0.534 24.543 18.174 1.00 0.00 H new ATOM 1581 N GLY A 134 1.000 26.683 20.988 1.00 0.00 N ATOM 1582 CA GLY A 134 0.062 27.592 21.620 1.00 0.00 C ATOM 1583 C GLY A 134 -1.015 26.865 22.400 1.00 0.00 C ATOM 1584 O GLY A 134 -1.040 25.635 22.467 1.00 0.00 O ATOM 0 H GLY A 134 1.920 26.643 21.427 1.00 0.00 H new ATOM 0 HA2 GLY A 134 0.603 28.260 22.290 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -0.405 28.216 20.857 1.00 0.00 H new ATOM 1588 N PRO A 135 -1.931 27.632 23.009 1.00 0.00 N ATOM 1589 CA PRO A 135 -3.032 27.075 23.800 1.00 0.00 C ATOM 1590 C PRO A 135 -4.064 26.360 22.935 1.00 0.00 C ATOM 1591 O PRO A 135 -4.133 26.580 21.725 1.00 0.00 O ATOM 1592 CB PRO A 135 -3.651 28.307 24.464 1.00 0.00 C ATOM 1593 CG PRO A 135 -3.305 29.439 23.559 1.00 0.00 C ATOM 1594 CD PRO A 135 -1.962 29.104 22.972 1.00 0.00 C ATOM 0 HA PRO A 135 -2.685 26.322 24.508 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -4.731 28.200 24.569 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -3.247 28.462 25.465 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -4.055 29.556 22.776 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -3.267 30.380 24.108 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -1.862 29.483 21.955 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -1.149 29.538 23.555 1.00 0.00 H new ATOM 1602 N SER A 136 -4.865 25.505 23.561 1.00 0.00 N ATOM 1603 CA SER A 136 -5.892 24.756 22.847 1.00 0.00 C ATOM 1604 C SER A 136 -7.104 25.636 22.558 1.00 0.00 C ATOM 1605 O SER A 136 -7.253 26.714 23.132 1.00 0.00 O ATOM 1606 CB SER A 136 -6.318 23.531 23.660 1.00 0.00 C ATOM 1607 OG SER A 136 -6.861 22.526 22.821 1.00 0.00 O ATOM 0 H SER A 136 -4.823 25.313 24.562 1.00 0.00 H new ATOM 0 HA SER A 136 -5.471 24.424 21.898 1.00 0.00 H new ATOM 0 HB2 SER A 136 -5.459 23.133 24.201 1.00 0.00 H new ATOM 0 HB3 SER A 136 -7.056 23.825 24.406 1.00 0.00 H new ATOM 0 HG SER A 136 -7.124 21.754 23.364 1.00 0.00 H new ATOM 1613 N SER A 137 -7.968 25.167 21.663 1.00 0.00 N ATOM 1614 CA SER A 137 -9.166 25.911 21.294 1.00 0.00 C ATOM 1615 C SER A 137 -10.102 26.062 22.490 1.00 0.00 C ATOM 1616 O SER A 137 -10.840 25.140 22.835 1.00 0.00 O ATOM 1617 CB SER A 137 -9.895 25.210 20.147 1.00 0.00 C ATOM 1618 OG SER A 137 -11.202 25.732 19.978 1.00 0.00 O ATOM 0 H SER A 137 -7.860 24.275 21.180 1.00 0.00 H new ATOM 0 HA SER A 137 -8.860 26.905 20.967 1.00 0.00 H new ATOM 0 HB2 SER A 137 -9.329 25.332 19.224 1.00 0.00 H new ATOM 0 HB3 SER A 137 -9.951 24.140 20.347 1.00 0.00 H new ATOM 0 HG SER A 137 -11.646 25.268 19.238 1.00 0.00 H new ATOM 1624 N GLY A 138 -10.066 27.234 23.118 1.00 0.00 N ATOM 1625 CA GLY A 138 -10.915 27.486 24.268 1.00 0.00 C ATOM 1626 C GLY A 138 -12.390 27.401 23.929 1.00 0.00 C ATOM 1627 O GLY A 138 -12.844 26.419 23.342 1.00 0.00 O ATOM 0 H GLY A 138 -9.464 28.013 22.851 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -10.683 26.765 25.052 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -10.694 28.475 24.669 1.00 0.00 H new TER 1631 GLY A 138