USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 818 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 71 GLN :FLIP amide:sc= -2.38 F(o=-11!,f=-8.8) USER MOD Set 1.2: A 93 GLN :FLIP amide:sc= -6.71! C(o=-14!,f=-8.8!) USER MOD Set 1.3: A 97 THR OG1 : rot 101:sc= 0.301! USER MOD Set 2.1: A 42 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000538) USER MOD Set 2.2: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 41 GLN : amide:sc= -3.58! C(o=-3.9!,f=-3.7!) USER MOD Set 3.2: A 58 MET CE :methyl 149:sc= -0.292 (180deg=0) USER MOD Set 4.1: A 22 ASN :FLIP amide:sc= -1.75! C(o=-12!,f=-4.6!) USER MOD Set 4.2: A 25 GLN :FLIP amide:sc= -2.89! C(o=-7.2!,f=-4.6!) USER MOD Single : A 1 ALA N :NH3+ 172:sc= 0 (180deg=-0.0626) USER MOD Single : A 6 ASN :FLIP amide:sc= -4.54! C(o=-7.8!,f=-4.5!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.129 F(o=-2.4!,f=-0.13) USER MOD Single : A 13 ASN : amide:sc= 0.0902 K(o=0.09,f=-6.4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 141:sc= -0.0226 (180deg=-0.423) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 79:sc= 0.0812 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 176:sc= -1.28 (180deg=-1.35) USER MOD Single : A 44 THR OG1 : rot 180:sc= -3.09 USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 0.544 (180deg=0.423) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 18:sc= 0.835 USER MOD Single : A 55 SER OG : rot 180:sc= -1.22 USER MOD Single : A 63 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.48) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -8.04! C(o=-8!,f=-7.8!) USER MOD Single : A 83 LYS NZ :NH3+ 159:sc= -0.0241 (180deg=-0.26) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.173 F(o=-0.69,f=-0.17) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0065 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.359 X(o=0.36,f=-0.068) USER MOD Single : A 103 GLN :FLIP amide:sc= -1.12 F(o=-4.6!,f=-1.1) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.547 11.798 3.719 1.00 0.00 N ATOM 2 CA ALA A 1 -15.661 10.818 3.030 1.00 0.00 C ATOM 3 C ALA A 1 -14.265 11.416 2.868 1.00 0.00 C ATOM 4 O ALA A 1 -13.640 11.300 1.833 1.00 0.00 O ATOM 5 CB ALA A 1 -16.231 10.498 1.654 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.526 11.448 3.708 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.233 11.918 4.703 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.501 12.713 3.227 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.601 9.906 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.583 9.781 1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.228 10.072 1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.290 11.412 1.063 1.00 0.00 H new ATOM 10 N ASP A 2 -13.773 12.052 3.889 1.00 0.00 N ATOM 11 CA ASP A 2 -12.426 12.658 3.824 1.00 0.00 C ATOM 12 C ASP A 2 -11.388 11.533 3.933 1.00 0.00 C ATOM 13 O ASP A 2 -11.735 10.374 4.010 1.00 0.00 O ATOM 14 CB ASP A 2 -12.272 13.661 4.996 1.00 0.00 C ATOM 15 CG ASP A 2 -13.388 13.458 6.027 1.00 0.00 C ATOM 16 OD1 ASP A 2 -13.226 12.604 6.884 1.00 0.00 O ATOM 17 OD2 ASP A 2 -14.383 14.159 5.941 1.00 0.00 O ATOM 0 H ASP A 2 -14.257 12.178 4.778 1.00 0.00 H new ATOM 0 HA ASP A 2 -12.280 13.193 2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.301 13.527 5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.302 14.682 4.615 1.00 0.00 H new ATOM 22 N LEU A 3 -10.125 11.859 3.940 1.00 0.00 N ATOM 23 CA LEU A 3 -9.093 10.791 4.050 1.00 0.00 C ATOM 24 C LEU A 3 -9.428 9.912 5.256 1.00 0.00 C ATOM 25 O LEU A 3 -9.028 10.182 6.371 1.00 0.00 O ATOM 26 CB LEU A 3 -7.706 11.419 4.241 1.00 0.00 C ATOM 27 CG LEU A 3 -7.075 11.853 2.898 1.00 0.00 C ATOM 28 CD1 LEU A 3 -6.439 10.643 2.189 1.00 0.00 C ATOM 29 CD2 LEU A 3 -8.121 12.513 1.981 1.00 0.00 C ATOM 0 H LEU A 3 -9.765 12.811 3.875 1.00 0.00 H new ATOM 0 HA LEU A 3 -9.084 10.192 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.788 12.284 4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.049 10.703 4.735 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.299 12.587 3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.999 10.964 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.663 10.216 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.204 9.891 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.649 12.808 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.924 11.805 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.532 13.394 2.473 1.00 0.00 H new ATOM 41 N GLU A 4 -10.154 8.865 5.024 1.00 0.00 N ATOM 42 CA GLU A 4 -10.540 7.938 6.113 1.00 0.00 C ATOM 43 C GLU A 4 -11.242 6.762 5.453 1.00 0.00 C ATOM 44 O GLU A 4 -11.104 5.626 5.858 1.00 0.00 O ATOM 45 CB GLU A 4 -11.476 8.649 7.110 1.00 0.00 C ATOM 46 CG GLU A 4 -12.906 8.733 6.552 1.00 0.00 C ATOM 47 CD GLU A 4 -13.697 9.795 7.320 1.00 0.00 C ATOM 48 OE1 GLU A 4 -13.581 9.831 8.534 1.00 0.00 O ATOM 49 OE2 GLU A 4 -14.404 10.556 6.680 1.00 0.00 O ATOM 0 H GLU A 4 -10.505 8.606 4.102 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.670 7.600 6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.482 8.111 8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.102 9.652 7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.879 8.982 5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.399 7.765 6.640 1.00 0.00 H new ATOM 56 N ASP A 5 -11.973 7.028 4.408 1.00 0.00 N ATOM 57 CA ASP A 5 -12.646 5.926 3.692 1.00 0.00 C ATOM 58 C ASP A 5 -11.601 5.206 2.850 1.00 0.00 C ATOM 59 O ASP A 5 -11.737 4.038 2.550 1.00 0.00 O ATOM 60 CB ASP A 5 -13.761 6.477 2.797 1.00 0.00 C ATOM 61 CG ASP A 5 -14.426 5.325 2.039 1.00 0.00 C ATOM 62 OD1 ASP A 5 -15.149 4.569 2.666 1.00 0.00 O ATOM 63 OD2 ASP A 5 -14.200 5.219 0.845 1.00 0.00 O ATOM 0 H ASP A 5 -12.130 7.960 4.024 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.098 5.235 4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.500 7.003 3.401 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.352 7.201 2.093 1.00 0.00 H new ATOM 68 N ASN A 6 -10.524 5.869 2.487 1.00 0.00 N ATOM 69 CA ASN A 6 -9.484 5.150 1.706 1.00 0.00 C ATOM 70 C ASN A 6 -9.063 3.974 2.591 1.00 0.00 C ATOM 71 O ASN A 6 -8.937 2.848 2.152 1.00 0.00 O ATOM 72 CB ASN A 6 -8.302 6.109 1.395 1.00 0.00 C ATOM 73 CG ASN A 6 -6.945 5.434 1.623 1.00 0.00 C ATOM 74 OD1 ASN A 6 -6.635 5.015 2.817 1.00 0.00 O flip ATOM 75 ND2 ASN A 6 -6.162 5.289 0.707 1.00 0.00 N flip ATOM 0 H ASN A 6 -10.330 6.849 2.694 1.00 0.00 H new ATOM 0 HA ASN A 6 -9.843 4.794 0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -8.371 6.447 0.361 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -8.378 6.995 2.025 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.404 5.617 -0.228 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -5.262 4.839 0.872 1.00 0.00 H new ATOM 82 N TRP A 7 -8.891 4.251 3.853 1.00 0.00 N ATOM 83 CA TRP A 7 -8.527 3.188 4.820 1.00 0.00 C ATOM 84 C TRP A 7 -9.616 2.109 4.786 1.00 0.00 C ATOM 85 O TRP A 7 -9.343 0.929 4.886 1.00 0.00 O ATOM 86 CB TRP A 7 -8.438 3.812 6.233 1.00 0.00 C ATOM 87 CG TRP A 7 -7.012 4.120 6.582 1.00 0.00 C ATOM 88 CD1 TRP A 7 -6.259 5.039 5.948 1.00 0.00 C ATOM 89 CD2 TRP A 7 -6.161 3.536 7.616 1.00 0.00 C ATOM 90 NE1 TRP A 7 -5.003 5.069 6.524 1.00 0.00 N ATOM 91 CE2 TRP A 7 -4.891 4.162 7.556 1.00 0.00 C ATOM 92 CE3 TRP A 7 -6.361 2.542 8.589 1.00 0.00 C ATOM 93 CZ2 TRP A 7 -3.857 3.816 8.430 1.00 0.00 C ATOM 94 CZ3 TRP A 7 -5.322 2.188 9.468 1.00 0.00 C ATOM 95 CH2 TRP A 7 -4.073 2.825 9.388 1.00 0.00 C ATOM 0 H TRP A 7 -8.989 5.182 4.257 1.00 0.00 H new ATOM 0 HA TRP A 7 -7.566 2.742 4.564 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -9.033 4.724 6.272 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -8.858 3.125 6.968 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -6.584 5.654 5.122 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -4.250 5.687 6.222 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.318 2.047 8.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -2.899 4.311 8.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.486 1.421 10.210 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -3.280 2.548 10.067 1.00 0.00 H new ATOM 106 N GLU A 8 -10.855 2.514 4.656 1.00 0.00 N ATOM 107 CA GLU A 8 -11.967 1.522 4.627 1.00 0.00 C ATOM 108 C GLU A 8 -11.761 0.589 3.439 1.00 0.00 C ATOM 109 O GLU A 8 -11.864 -0.614 3.556 1.00 0.00 O ATOM 110 CB GLU A 8 -13.306 2.257 4.485 1.00 0.00 C ATOM 111 CG GLU A 8 -14.502 1.300 4.729 1.00 0.00 C ATOM 112 CD GLU A 8 -15.007 0.712 3.403 1.00 0.00 C ATOM 113 OE1 GLU A 8 -14.187 0.318 2.594 1.00 0.00 O ATOM 114 OE2 GLU A 8 -16.213 0.666 3.223 1.00 0.00 O ATOM 0 H GLU A 8 -11.142 3.489 4.569 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.976 0.944 5.551 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.347 3.083 5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.382 2.690 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.199 0.494 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.310 1.839 5.225 1.00 0.00 H new ATOM 121 N THR A 9 -11.455 1.129 2.292 1.00 0.00 N ATOM 122 CA THR A 9 -11.225 0.256 1.110 1.00 0.00 C ATOM 123 C THR A 9 -10.148 -0.760 1.478 1.00 0.00 C ATOM 124 O THR A 9 -10.315 -1.954 1.337 1.00 0.00 O ATOM 125 CB THR A 9 -10.748 1.109 -0.074 1.00 0.00 C ATOM 126 OG1 THR A 9 -11.473 2.332 -0.093 1.00 0.00 O ATOM 127 CG2 THR A 9 -10.994 0.352 -1.383 1.00 0.00 C ATOM 0 H THR A 9 -11.355 2.130 2.124 1.00 0.00 H new ATOM 0 HA THR A 9 -12.146 -0.253 0.827 1.00 0.00 H new ATOM 0 HB THR A 9 -9.683 1.315 0.031 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.170 2.880 -0.847 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.655 0.958 -2.223 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.443 -0.588 -1.369 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.059 0.147 -1.490 1.00 0.00 H new ATOM 135 N LEU A 10 -9.047 -0.273 1.965 1.00 0.00 N ATOM 136 CA LEU A 10 -7.938 -1.167 2.373 1.00 0.00 C ATOM 137 C LEU A 10 -8.413 -2.035 3.538 1.00 0.00 C ATOM 138 O LEU A 10 -8.033 -3.167 3.682 1.00 0.00 O ATOM 139 CB LEU A 10 -6.761 -0.291 2.828 1.00 0.00 C ATOM 140 CG LEU A 10 -5.814 0.046 1.668 1.00 0.00 C ATOM 141 CD1 LEU A 10 -5.157 -1.220 1.086 1.00 0.00 C ATOM 142 CD2 LEU A 10 -6.576 0.798 0.572 1.00 0.00 C ATOM 0 H LEU A 10 -8.867 0.722 2.099 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.629 -1.807 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.143 0.632 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.206 -0.808 3.611 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.019 0.682 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.494 -0.942 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.582 -1.722 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.930 -1.893 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.897 1.033 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.390 0.175 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.985 1.722 0.981 1.00 0.00 H new ATOM 154 N ASN A 11 -9.236 -1.504 4.380 1.00 0.00 N ATOM 155 CA ASN A 11 -9.711 -2.303 5.537 1.00 0.00 C ATOM 156 C ASN A 11 -10.335 -3.602 5.040 1.00 0.00 C ATOM 157 O ASN A 11 -9.866 -4.688 5.321 1.00 0.00 O ATOM 158 CB ASN A 11 -10.782 -1.518 6.278 1.00 0.00 C ATOM 159 CG ASN A 11 -11.035 -2.168 7.640 1.00 0.00 C ATOM 160 OD1 ASN A 11 -10.356 -3.235 7.975 1.00 0.00 O flip ATOM 161 ND2 ASN A 11 -11.853 -1.703 8.407 1.00 0.00 N flip ATOM 0 H ASN A 11 -9.603 -0.554 4.322 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.868 -2.518 6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.465 -0.483 6.409 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.703 -1.498 5.695 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.382 -0.871 8.145 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.011 -2.144 9.313 1.00 0.00 H new ATOM 168 N ASP A 12 -11.403 -3.484 4.314 1.00 0.00 N ATOM 169 CA ASP A 12 -12.096 -4.687 3.797 1.00 0.00 C ATOM 170 C ASP A 12 -11.118 -5.553 3.027 1.00 0.00 C ATOM 171 O ASP A 12 -11.344 -6.733 2.841 1.00 0.00 O ATOM 172 CB ASP A 12 -13.194 -4.260 2.841 1.00 0.00 C ATOM 173 CG ASP A 12 -14.339 -3.618 3.626 1.00 0.00 C ATOM 174 OD1 ASP A 12 -14.132 -2.545 4.167 1.00 0.00 O ATOM 175 OD2 ASP A 12 -15.406 -4.209 3.673 1.00 0.00 O ATOM 0 H ASP A 12 -11.831 -2.595 4.054 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.510 -5.244 4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.799 -3.553 2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.560 -5.122 2.284 1.00 0.00 H new ATOM 180 N ASN A 13 -10.038 -5.000 2.552 1.00 0.00 N ATOM 181 CA ASN A 13 -9.109 -5.865 1.783 1.00 0.00 C ATOM 182 C ASN A 13 -8.490 -6.879 2.755 1.00 0.00 C ATOM 183 O ASN A 13 -8.597 -8.071 2.563 1.00 0.00 O ATOM 184 CB ASN A 13 -8.017 -5.026 1.088 1.00 0.00 C ATOM 185 CG ASN A 13 -8.491 -4.596 -0.305 1.00 0.00 C ATOM 186 OD1 ASN A 13 -8.227 -5.267 -1.283 1.00 0.00 O ATOM 187 ND2 ASN A 13 -9.182 -3.499 -0.435 1.00 0.00 N ATOM 0 H ASN A 13 -9.766 -4.023 2.658 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.653 -6.388 0.997 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.785 -4.147 1.689 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.099 -5.607 1.005 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.501 -3.204 -1.358 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.404 -2.936 0.386 1.00 0.00 H new ATOM 194 N LEU A 14 -7.869 -6.414 3.808 1.00 0.00 N ATOM 195 CA LEU A 14 -7.267 -7.345 4.806 1.00 0.00 C ATOM 196 C LEU A 14 -8.359 -8.252 5.365 1.00 0.00 C ATOM 197 O LEU A 14 -8.124 -9.379 5.750 1.00 0.00 O ATOM 198 CB LEU A 14 -6.681 -6.532 5.965 1.00 0.00 C ATOM 199 CG LEU A 14 -5.337 -5.892 5.570 1.00 0.00 C ATOM 200 CD1 LEU A 14 -4.250 -6.959 5.399 1.00 0.00 C ATOM 201 CD2 LEU A 14 -5.485 -5.115 4.260 1.00 0.00 C ATOM 0 H LEU A 14 -7.753 -5.423 4.020 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.488 -7.937 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.385 -5.754 6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.539 -7.178 6.831 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.044 -5.212 6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.311 -6.481 5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.118 -7.498 6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.547 -7.659 4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.528 -4.668 3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.803 -5.794 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.230 -4.329 4.385 1.00 0.00 H new ATOM 213 N LYS A 15 -9.545 -7.741 5.435 1.00 0.00 N ATOM 214 CA LYS A 15 -10.678 -8.516 5.995 1.00 0.00 C ATOM 215 C LYS A 15 -10.897 -9.809 5.208 1.00 0.00 C ATOM 216 O LYS A 15 -10.951 -10.882 5.772 1.00 0.00 O ATOM 217 CB LYS A 15 -11.922 -7.631 5.895 1.00 0.00 C ATOM 218 CG LYS A 15 -13.082 -8.214 6.702 1.00 0.00 C ATOM 219 CD LYS A 15 -14.353 -7.367 6.456 1.00 0.00 C ATOM 220 CE LYS A 15 -15.127 -7.910 5.245 1.00 0.00 C ATOM 221 NZ LYS A 15 -15.996 -9.038 5.682 1.00 0.00 N ATOM 0 H LYS A 15 -9.785 -6.800 5.122 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.471 -8.792 7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.690 -6.630 6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.217 -7.530 4.850 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.259 -9.249 6.410 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.835 -8.220 7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.989 -7.386 7.341 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.078 -6.326 6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.733 -7.120 4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.432 -8.248 4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.522 -9.408 4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.407 -9.794 6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.667 -8.701 6.401 1.00 0.00 H new ATOM 235 N VAL A 16 -11.054 -9.730 3.923 1.00 0.00 N ATOM 236 CA VAL A 16 -11.308 -10.954 3.142 1.00 0.00 C ATOM 237 C VAL A 16 -10.090 -11.895 3.142 1.00 0.00 C ATOM 238 O VAL A 16 -10.233 -13.056 3.446 1.00 0.00 O ATOM 239 CB VAL A 16 -11.728 -10.537 1.722 1.00 0.00 C ATOM 240 CG1 VAL A 16 -11.489 -11.673 0.728 1.00 0.00 C ATOM 241 CG2 VAL A 16 -13.218 -10.190 1.721 1.00 0.00 C ATOM 0 H VAL A 16 -11.017 -8.866 3.382 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.114 -11.526 3.601 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.132 -9.675 1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.794 -11.354 -0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.430 -11.932 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.073 -12.545 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.522 -9.894 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.795 -11.061 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.401 -9.368 2.413 1.00 0.00 H new ATOM 251 N ILE A 17 -8.904 -11.449 2.797 1.00 0.00 N ATOM 252 CA ILE A 17 -7.753 -12.420 2.798 1.00 0.00 C ATOM 253 C ILE A 17 -7.735 -13.127 4.157 1.00 0.00 C ATOM 254 O ILE A 17 -7.623 -14.334 4.243 1.00 0.00 O ATOM 255 CB ILE A 17 -6.386 -11.708 2.545 1.00 0.00 C ATOM 256 CG1 ILE A 17 -6.617 -10.223 2.252 1.00 0.00 C ATOM 257 CG2 ILE A 17 -5.669 -12.341 1.343 1.00 0.00 C ATOM 258 CD1 ILE A 17 -5.279 -9.508 1.990 1.00 0.00 C ATOM 0 H ILE A 17 -8.683 -10.491 2.524 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.890 -13.135 1.987 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.771 -11.820 3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.269 -10.115 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.127 -9.755 3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.718 -11.835 1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.488 -13.397 1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.292 -12.241 0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.464 -8.454 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.640 -9.599 2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.785 -9.964 1.132 1.00 0.00 H new ATOM 270 N GLU A 18 -7.875 -12.376 5.211 1.00 0.00 N ATOM 271 CA GLU A 18 -7.895 -12.986 6.568 1.00 0.00 C ATOM 272 C GLU A 18 -9.078 -13.953 6.655 1.00 0.00 C ATOM 273 O GLU A 18 -9.071 -14.892 7.427 1.00 0.00 O ATOM 274 CB GLU A 18 -8.066 -11.882 7.622 1.00 0.00 C ATOM 275 CG GLU A 18 -6.882 -10.889 7.571 1.00 0.00 C ATOM 276 CD GLU A 18 -5.777 -11.330 8.539 1.00 0.00 C ATOM 277 OE1 GLU A 18 -5.946 -11.130 9.731 1.00 0.00 O ATOM 278 OE2 GLU A 18 -4.783 -11.858 8.070 1.00 0.00 O ATOM 0 H GLU A 18 -7.977 -11.361 5.191 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.961 -13.519 6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.001 -11.349 7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.131 -12.327 8.615 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.487 -10.835 6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.226 -9.888 7.832 1.00 0.00 H new ATOM 285 N LYS A 19 -10.100 -13.717 5.868 1.00 0.00 N ATOM 286 CA LYS A 19 -11.311 -14.594 5.884 1.00 0.00 C ATOM 287 C LYS A 19 -11.563 -15.110 4.462 1.00 0.00 C ATOM 288 O LYS A 19 -12.686 -15.240 4.019 1.00 0.00 O ATOM 289 CB LYS A 19 -12.500 -13.746 6.361 1.00 0.00 C ATOM 290 CG LYS A 19 -12.248 -13.267 7.811 1.00 0.00 C ATOM 291 CD LYS A 19 -12.940 -11.917 8.074 1.00 0.00 C ATOM 292 CE LYS A 19 -14.437 -12.019 7.770 1.00 0.00 C ATOM 293 NZ LYS A 19 -15.038 -13.097 8.603 1.00 0.00 N ATOM 0 H LYS A 19 -10.146 -12.942 5.206 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.175 -15.446 6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.635 -12.888 5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.419 -14.331 6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.619 -14.013 8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.176 -13.170 7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.792 -11.621 9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.488 -11.142 7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.927 -11.068 7.977 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.591 -12.233 6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.978 -12.798 8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.129 -13.964 8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.427 -13.283 9.424 1.00 0.00 H new ATOM 307 N ALA A 20 -10.506 -15.378 3.742 1.00 0.00 N ATOM 308 CA ALA A 20 -10.630 -15.861 2.334 1.00 0.00 C ATOM 309 C ALA A 20 -11.364 -17.207 2.276 1.00 0.00 C ATOM 310 O ALA A 20 -12.057 -17.493 1.328 1.00 0.00 O ATOM 311 CB ALA A 20 -9.219 -16.000 1.738 1.00 0.00 C ATOM 0 H ALA A 20 -9.547 -15.281 4.075 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.212 -15.142 1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.292 -16.352 0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.720 -15.031 1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.644 -16.715 2.326 1.00 0.00 H new ATOM 317 N ASP A 21 -11.191 -18.036 3.267 1.00 0.00 N ATOM 318 CA ASP A 21 -11.852 -19.375 3.258 1.00 0.00 C ATOM 319 C ASP A 21 -11.164 -20.273 2.220 1.00 0.00 C ATOM 320 O ASP A 21 -11.067 -21.472 2.391 1.00 0.00 O ATOM 321 CB ASP A 21 -13.340 -19.220 2.909 1.00 0.00 C ATOM 322 CG ASP A 21 -13.870 -17.915 3.506 1.00 0.00 C ATOM 323 OD1 ASP A 21 -13.892 -17.809 4.721 1.00 0.00 O ATOM 324 OD2 ASP A 21 -14.247 -17.046 2.737 1.00 0.00 O ATOM 0 H ASP A 21 -10.617 -17.844 4.088 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.766 -19.829 4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.473 -19.218 1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.906 -20.067 3.298 1.00 0.00 H new ATOM 329 N ASN A 22 -10.675 -19.700 1.154 1.00 0.00 N ATOM 330 CA ASN A 22 -9.978 -20.515 0.111 1.00 0.00 C ATOM 331 C ASN A 22 -8.957 -19.642 -0.624 1.00 0.00 C ATOM 332 O ASN A 22 -9.147 -18.453 -0.785 1.00 0.00 O ATOM 333 CB ASN A 22 -10.994 -21.068 -0.899 1.00 0.00 C ATOM 334 CG ASN A 22 -12.290 -21.440 -0.181 1.00 0.00 C ATOM 335 OD1 ASN A 22 -13.247 -20.558 -0.105 1.00 0.00 O flip ATOM 336 ND2 ASN A 22 -12.433 -22.541 0.314 1.00 0.00 N flip ATOM 0 H ASN A 22 -10.727 -18.700 0.958 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.470 -21.348 0.597 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.196 -20.324 -1.670 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.582 -21.943 -1.401 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.682 -23.229 0.253 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.304 -22.777 0.790 1.00 0.00 H new ATOM 343 N ALA A 23 -7.884 -20.224 -1.081 1.00 0.00 N ATOM 344 CA ALA A 23 -6.862 -19.426 -1.817 1.00 0.00 C ATOM 345 C ALA A 23 -7.540 -18.676 -2.965 1.00 0.00 C ATOM 346 O ALA A 23 -7.000 -17.741 -3.524 1.00 0.00 O ATOM 347 CB ALA A 23 -5.792 -20.363 -2.386 1.00 0.00 C ATOM 0 H ALA A 23 -7.670 -21.216 -0.978 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.396 -18.714 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.045 -19.779 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.311 -20.904 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.257 -21.074 -3.069 1.00 0.00 H new ATOM 353 N ALA A 24 -8.720 -19.087 -3.331 1.00 0.00 N ATOM 354 CA ALA A 24 -9.431 -18.404 -4.444 1.00 0.00 C ATOM 355 C ALA A 24 -9.840 -16.992 -4.013 1.00 0.00 C ATOM 356 O ALA A 24 -9.500 -16.018 -4.657 1.00 0.00 O ATOM 357 CB ALA A 24 -10.676 -19.206 -4.821 1.00 0.00 C ATOM 0 H ALA A 24 -9.223 -19.867 -2.907 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.767 -18.335 -5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.198 -18.706 -5.637 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.382 -20.207 -5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.337 -19.278 -3.958 1.00 0.00 H new ATOM 363 N GLN A 25 -10.584 -16.865 -2.942 1.00 0.00 N ATOM 364 CA GLN A 25 -11.017 -15.508 -2.507 1.00 0.00 C ATOM 365 C GLN A 25 -9.806 -14.670 -2.087 1.00 0.00 C ATOM 366 O GLN A 25 -9.910 -13.472 -1.910 1.00 0.00 O ATOM 367 CB GLN A 25 -11.995 -15.631 -1.334 1.00 0.00 C ATOM 368 CG GLN A 25 -13.334 -16.268 -1.803 1.00 0.00 C ATOM 369 CD GLN A 25 -13.374 -17.762 -1.453 1.00 0.00 C ATOM 370 OE1 GLN A 25 -13.162 -18.646 -2.390 1.00 0.00 O flip ATOM 371 NE2 GLN A 25 -13.611 -18.127 -0.320 1.00 0.00 N flip ATOM 0 H GLN A 25 -10.906 -17.636 -2.357 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.512 -15.012 -3.342 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.552 -16.241 -0.546 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.184 -14.646 -0.906 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.172 -15.756 -1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.447 -16.138 -2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.777 -17.438 0.414 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.644 -19.123 -0.101 1.00 0.00 H new ATOM 380 N VAL A 26 -8.653 -15.269 -1.950 1.00 0.00 N ATOM 381 CA VAL A 26 -7.453 -14.477 -1.576 1.00 0.00 C ATOM 382 C VAL A 26 -7.073 -13.626 -2.791 1.00 0.00 C ATOM 383 O VAL A 26 -6.895 -12.427 -2.703 1.00 0.00 O ATOM 384 CB VAL A 26 -6.300 -15.438 -1.226 1.00 0.00 C ATOM 385 CG1 VAL A 26 -4.959 -14.706 -1.289 1.00 0.00 C ATOM 386 CG2 VAL A 26 -6.494 -16.021 0.178 1.00 0.00 C ATOM 0 H VAL A 26 -8.494 -16.268 -2.081 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.652 -13.843 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.303 -16.249 -1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.155 -15.398 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.804 -14.317 -2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.961 -13.880 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.671 -16.697 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.514 -15.212 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.435 -16.569 0.218 1.00 0.00 H new ATOM 396 N LYS A 27 -6.957 -14.258 -3.924 1.00 0.00 N ATOM 397 CA LYS A 27 -6.596 -13.527 -5.173 1.00 0.00 C ATOM 398 C LYS A 27 -7.591 -12.395 -5.399 1.00 0.00 C ATOM 399 O LYS A 27 -7.244 -11.315 -5.836 1.00 0.00 O ATOM 400 CB LYS A 27 -6.662 -14.488 -6.365 1.00 0.00 C ATOM 401 CG LYS A 27 -5.849 -15.753 -6.069 1.00 0.00 C ATOM 402 CD LYS A 27 -6.238 -16.858 -7.056 1.00 0.00 C ATOM 403 CE LYS A 27 -6.065 -16.360 -8.491 1.00 0.00 C ATOM 404 NZ LYS A 27 -6.099 -17.525 -9.421 1.00 0.00 N ATOM 0 H LYS A 27 -7.098 -15.261 -4.041 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.588 -13.125 -5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.699 -14.753 -6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.275 -13.998 -7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.783 -15.539 -6.149 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.032 -16.084 -5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.619 -17.739 -6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.272 -17.159 -6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.858 -15.655 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.120 -15.826 -8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.982 -17.192 -10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.328 -18.181 -9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.011 -18.016 -9.330 1.00 0.00 H new ATOM 418 N ASP A 28 -8.831 -12.648 -5.107 1.00 0.00 N ATOM 419 CA ASP A 28 -9.882 -11.612 -5.298 1.00 0.00 C ATOM 420 C ASP A 28 -9.515 -10.373 -4.493 1.00 0.00 C ATOM 421 O ASP A 28 -9.324 -9.311 -5.033 1.00 0.00 O ATOM 422 CB ASP A 28 -11.229 -12.185 -4.809 1.00 0.00 C ATOM 423 CG ASP A 28 -12.375 -11.739 -5.726 1.00 0.00 C ATOM 424 OD1 ASP A 28 -12.203 -11.805 -6.932 1.00 0.00 O ATOM 425 OD2 ASP A 28 -13.403 -11.339 -5.205 1.00 0.00 O ATOM 0 H ASP A 28 -9.167 -13.538 -4.740 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.963 -11.338 -6.350 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.179 -13.274 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.422 -11.852 -3.789 1.00 0.00 H new ATOM 430 N ALA A 29 -9.422 -10.508 -3.208 1.00 0.00 N ATOM 431 CA ALA A 29 -9.091 -9.328 -2.361 1.00 0.00 C ATOM 432 C ALA A 29 -7.808 -8.656 -2.850 1.00 0.00 C ATOM 433 O ALA A 29 -7.743 -7.449 -2.971 1.00 0.00 O ATOM 434 CB ALA A 29 -8.906 -9.782 -0.914 1.00 0.00 C ATOM 0 H ALA A 29 -9.560 -11.383 -2.702 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.908 -8.609 -2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.664 -8.921 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.828 -10.241 -0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.095 -10.508 -0.861 1.00 0.00 H new ATOM 440 N LEU A 30 -6.781 -9.411 -3.117 1.00 0.00 N ATOM 441 CA LEU A 30 -5.514 -8.781 -3.573 1.00 0.00 C ATOM 442 C LEU A 30 -5.749 -8.016 -4.879 1.00 0.00 C ATOM 443 O LEU A 30 -5.115 -7.015 -5.145 1.00 0.00 O ATOM 444 CB LEU A 30 -4.437 -9.858 -3.754 1.00 0.00 C ATOM 445 CG LEU A 30 -3.931 -10.309 -2.362 1.00 0.00 C ATOM 446 CD1 LEU A 30 -3.314 -11.704 -2.451 1.00 0.00 C ATOM 447 CD2 LEU A 30 -2.861 -9.336 -1.841 1.00 0.00 C ATOM 0 H LEU A 30 -6.764 -10.428 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.170 -8.071 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.845 -10.709 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.610 -9.466 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.782 -10.321 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.962 -12.010 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.064 -12.412 -2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.475 -11.687 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.515 -9.666 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.020 -9.314 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.288 -8.337 -1.757 1.00 0.00 H new ATOM 459 N THR A 31 -6.664 -8.454 -5.695 1.00 0.00 N ATOM 460 CA THR A 31 -6.932 -7.712 -6.949 1.00 0.00 C ATOM 461 C THR A 31 -7.568 -6.359 -6.585 1.00 0.00 C ATOM 462 O THR A 31 -7.329 -5.350 -7.224 1.00 0.00 O ATOM 463 CB THR A 31 -7.871 -8.546 -7.831 1.00 0.00 C ATOM 464 OG1 THR A 31 -7.127 -9.579 -8.460 1.00 0.00 O ATOM 465 CG2 THR A 31 -8.513 -7.663 -8.898 1.00 0.00 C ATOM 0 H THR A 31 -7.233 -9.288 -5.547 1.00 0.00 H new ATOM 0 HA THR A 31 -6.011 -7.532 -7.503 1.00 0.00 H new ATOM 0 HB THR A 31 -8.655 -8.978 -7.209 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.981 -10.310 -7.824 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.177 -8.266 -9.518 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.086 -6.870 -8.418 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.735 -7.222 -9.522 1.00 0.00 H new ATOM 473 N LYS A 32 -8.360 -6.326 -5.543 1.00 0.00 N ATOM 474 CA LYS A 32 -8.979 -5.032 -5.137 1.00 0.00 C ATOM 475 C LYS A 32 -7.867 -4.166 -4.551 1.00 0.00 C ATOM 476 O LYS A 32 -7.840 -2.964 -4.727 1.00 0.00 O ATOM 477 CB LYS A 32 -10.114 -5.238 -4.102 1.00 0.00 C ATOM 478 CG LYS A 32 -10.844 -6.575 -4.325 1.00 0.00 C ATOM 479 CD LYS A 32 -11.632 -6.576 -5.662 1.00 0.00 C ATOM 480 CE LYS A 32 -11.630 -7.985 -6.302 1.00 0.00 C ATOM 481 NZ LYS A 32 -12.906 -8.186 -7.046 1.00 0.00 N ATOM 0 H LYS A 32 -8.601 -7.130 -4.963 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.436 -4.551 -6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.698 -5.213 -3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.827 -4.417 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.120 -7.390 -4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.529 -6.759 -3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.658 -6.254 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.188 -5.858 -6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.781 -8.090 -6.977 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.520 -8.748 -5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.910 -9.132 -7.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.708 -8.102 -6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.991 -7.465 -7.790 1.00 0.00 H new ATOM 495 N MET A 33 -6.927 -4.780 -3.878 1.00 0.00 N ATOM 496 CA MET A 33 -5.797 -4.000 -3.311 1.00 0.00 C ATOM 497 C MET A 33 -5.129 -3.259 -4.462 1.00 0.00 C ATOM 498 O MET A 33 -4.875 -2.090 -4.379 1.00 0.00 O ATOM 499 CB MET A 33 -4.779 -4.949 -2.670 1.00 0.00 C ATOM 500 CG MET A 33 -5.046 -5.132 -1.172 1.00 0.00 C ATOM 501 SD MET A 33 -3.630 -5.986 -0.440 1.00 0.00 S ATOM 502 CE MET A 33 -4.215 -5.979 1.265 1.00 0.00 C ATOM 0 H MET A 33 -6.897 -5.784 -3.700 1.00 0.00 H new ATOM 0 HA MET A 33 -6.158 -3.306 -2.552 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.819 -5.917 -3.169 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.773 -4.557 -2.816 1.00 0.00 H new ATOM 0 HG2 MET A 33 -5.195 -4.165 -0.692 1.00 0.00 H new ATOM 0 HG3 MET A 33 -5.958 -5.708 -1.017 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.514 -6.529 1.893 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.290 -4.951 1.620 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.195 -6.453 1.315 1.00 0.00 H new ATOM 512 N ARG A 34 -4.850 -3.935 -5.547 1.00 0.00 N ATOM 513 CA ARG A 34 -4.209 -3.249 -6.711 1.00 0.00 C ATOM 514 C ARG A 34 -4.919 -1.915 -6.940 1.00 0.00 C ATOM 515 O ARG A 34 -4.303 -0.872 -7.052 1.00 0.00 O ATOM 516 CB ARG A 34 -4.388 -4.143 -7.954 1.00 0.00 C ATOM 517 CG ARG A 34 -3.059 -4.799 -8.356 1.00 0.00 C ATOM 518 CD ARG A 34 -2.618 -5.810 -7.289 1.00 0.00 C ATOM 519 NE ARG A 34 -1.958 -5.099 -6.157 1.00 0.00 N ATOM 520 CZ ARG A 34 -0.795 -4.530 -6.327 1.00 0.00 C ATOM 521 NH1 ARG A 34 -0.207 -4.574 -7.492 1.00 0.00 N ATOM 522 NH2 ARG A 34 -0.217 -3.929 -5.330 1.00 0.00 N ATOM 0 H ARG A 34 -5.037 -4.929 -5.678 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.149 -3.075 -6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.131 -4.914 -7.748 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.769 -3.547 -8.783 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.170 -5.300 -9.318 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.292 -4.035 -8.481 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.481 -6.368 -6.926 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.930 -6.535 -7.725 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.416 -5.057 -5.247 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.656 -5.054 -8.272 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.701 -4.129 -7.622 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.672 -3.903 -4.417 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.691 -3.484 -5.460 1.00 0.00 H new ATOM 536 N ALA A 35 -6.214 -1.954 -6.998 1.00 0.00 N ATOM 537 CA ALA A 35 -6.985 -0.703 -7.206 1.00 0.00 C ATOM 538 C ALA A 35 -6.867 0.181 -5.961 1.00 0.00 C ATOM 539 O ALA A 35 -6.423 1.308 -6.029 1.00 0.00 O ATOM 540 CB ALA A 35 -8.449 -1.051 -7.464 1.00 0.00 C ATOM 0 H ALA A 35 -6.776 -2.801 -6.910 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.588 -0.162 -8.065 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.019 -0.135 -7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.523 -1.677 -8.353 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.852 -1.590 -6.606 1.00 0.00 H new ATOM 546 N ALA A 36 -7.262 -0.326 -4.824 1.00 0.00 N ATOM 547 CA ALA A 36 -7.185 0.479 -3.569 1.00 0.00 C ATOM 548 C ALA A 36 -5.720 0.835 -3.261 1.00 0.00 C ATOM 549 O ALA A 36 -5.436 1.810 -2.592 1.00 0.00 O ATOM 550 CB ALA A 36 -7.788 -0.348 -2.414 1.00 0.00 C ATOM 0 H ALA A 36 -7.637 -1.268 -4.709 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.745 1.406 -3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.739 0.228 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.828 -0.584 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.224 -1.273 -2.296 1.00 0.00 H new ATOM 556 N ALA A 37 -4.794 0.044 -3.730 1.00 0.00 N ATOM 557 CA ALA A 37 -3.354 0.313 -3.461 1.00 0.00 C ATOM 558 C ALA A 37 -2.926 1.619 -4.124 1.00 0.00 C ATOM 559 O ALA A 37 -2.638 2.601 -3.466 1.00 0.00 O ATOM 560 CB ALA A 37 -2.515 -0.839 -4.015 1.00 0.00 C ATOM 0 H ALA A 37 -4.977 -0.786 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.202 0.399 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.460 -0.647 -3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.810 -1.770 -3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.677 -0.923 -5.090 1.00 0.00 H new ATOM 566 N LEU A 38 -2.865 1.639 -5.425 1.00 0.00 N ATOM 567 CA LEU A 38 -2.435 2.887 -6.106 1.00 0.00 C ATOM 568 C LEU A 38 -3.445 3.989 -5.814 1.00 0.00 C ATOM 569 O LEU A 38 -3.141 5.162 -5.898 1.00 0.00 O ATOM 570 CB LEU A 38 -2.339 2.690 -7.613 1.00 0.00 C ATOM 571 CG LEU A 38 -1.542 1.419 -7.941 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.714 1.086 -9.424 1.00 0.00 C ATOM 573 CD2 LEU A 38 -0.055 1.640 -7.641 1.00 0.00 C ATOM 0 H LEU A 38 -3.091 0.856 -6.038 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.449 3.160 -5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.339 2.619 -8.041 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.858 3.555 -8.069 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.912 0.596 -7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.150 0.184 -9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.770 0.921 -9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.345 1.915 -10.028 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.502 0.733 -7.877 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.320 2.464 -8.248 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.071 1.880 -6.585 1.00 0.00 H new ATOM 585 N ASP A 39 -4.641 3.635 -5.441 1.00 0.00 N ATOM 586 CA ASP A 39 -5.629 4.695 -5.123 1.00 0.00 C ATOM 587 C ASP A 39 -5.075 5.437 -3.922 1.00 0.00 C ATOM 588 O ASP A 39 -5.113 6.649 -3.849 1.00 0.00 O ATOM 589 CB ASP A 39 -6.986 4.084 -4.770 1.00 0.00 C ATOM 590 CG ASP A 39 -8.024 5.198 -4.624 1.00 0.00 C ATOM 591 OD1 ASP A 39 -8.247 5.904 -5.595 1.00 0.00 O ATOM 592 OD2 ASP A 39 -8.582 5.325 -3.546 1.00 0.00 O ATOM 0 H ASP A 39 -4.972 2.675 -5.344 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.781 5.355 -5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.295 3.384 -5.546 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.911 3.518 -3.842 1.00 0.00 H new ATOM 597 N ALA A 40 -4.506 4.715 -2.998 1.00 0.00 N ATOM 598 CA ALA A 40 -3.892 5.386 -1.832 1.00 0.00 C ATOM 599 C ALA A 40 -2.836 6.351 -2.375 1.00 0.00 C ATOM 600 O ALA A 40 -2.611 7.413 -1.832 1.00 0.00 O ATOM 601 CB ALA A 40 -3.263 4.348 -0.900 1.00 0.00 C ATOM 0 H ALA A 40 -4.442 3.697 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.637 5.930 -1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.814 4.852 -0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.032 3.658 -0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.495 3.793 -1.439 1.00 0.00 H new ATOM 607 N GLN A 41 -2.211 6.003 -3.485 1.00 0.00 N ATOM 608 CA GLN A 41 -1.204 6.929 -4.094 1.00 0.00 C ATOM 609 C GLN A 41 -1.863 8.304 -4.202 1.00 0.00 C ATOM 610 O GLN A 41 -1.248 9.333 -4.008 1.00 0.00 O ATOM 611 CB GLN A 41 -0.821 6.446 -5.517 1.00 0.00 C ATOM 612 CG GLN A 41 0.565 6.985 -5.900 1.00 0.00 C ATOM 613 CD GLN A 41 0.581 8.506 -5.745 1.00 0.00 C ATOM 614 OE1 GLN A 41 1.183 9.030 -4.830 1.00 0.00 O ATOM 615 NE2 GLN A 41 -0.058 9.242 -6.612 1.00 0.00 N ATOM 0 H GLN A 41 -2.356 5.127 -3.986 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.303 6.961 -3.482 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.819 5.357 -5.552 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.564 6.786 -6.238 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.330 6.536 -5.266 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.802 6.711 -6.928 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.564 8.802 -7.381 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.052 10.258 -6.521 1.00 0.00 H new ATOM 624 N LYS A 42 -3.128 8.300 -4.527 1.00 0.00 N ATOM 625 CA LYS A 42 -3.891 9.577 -4.677 1.00 0.00 C ATOM 626 C LYS A 42 -4.724 9.855 -3.414 1.00 0.00 C ATOM 627 O LYS A 42 -5.538 10.756 -3.387 1.00 0.00 O ATOM 628 CB LYS A 42 -4.820 9.452 -5.889 1.00 0.00 C ATOM 629 CG LYS A 42 -4.069 8.778 -7.042 1.00 0.00 C ATOM 630 CD LYS A 42 -4.837 8.980 -8.356 1.00 0.00 C ATOM 631 CE LYS A 42 -3.958 8.548 -9.531 1.00 0.00 C ATOM 632 NZ LYS A 42 -3.878 7.060 -9.576 1.00 0.00 N ATOM 0 H LYS A 42 -3.674 7.455 -4.698 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.194 10.403 -4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.702 8.869 -5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.170 10.438 -6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.067 9.197 -7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.953 7.713 -6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.759 8.398 -8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.122 10.026 -8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.370 8.928 -10.466 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.960 8.973 -9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.294 6.768 -10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.450 6.709 -8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.834 6.664 -9.678 1.00 0.00 H new ATOM 646 N ALA A 43 -4.522 9.097 -2.368 1.00 0.00 N ATOM 647 CA ALA A 43 -5.288 9.320 -1.111 1.00 0.00 C ATOM 648 C ALA A 43 -4.600 8.544 0.008 1.00 0.00 C ATOM 649 O ALA A 43 -5.048 7.493 0.418 1.00 0.00 O ATOM 650 CB ALA A 43 -6.717 8.812 -1.272 1.00 0.00 C ATOM 0 H ALA A 43 -3.853 8.328 -2.333 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.319 10.385 -0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.269 8.980 -0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.204 9.347 -2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.701 7.746 -1.497 1.00 0.00 H new ATOM 656 N THR A 44 -3.498 9.051 0.482 1.00 0.00 N ATOM 657 CA THR A 44 -2.721 8.362 1.556 1.00 0.00 C ATOM 658 C THR A 44 -2.715 9.259 2.802 1.00 0.00 C ATOM 659 O THR A 44 -2.878 10.455 2.688 1.00 0.00 O ATOM 660 CB THR A 44 -1.305 8.135 1.000 1.00 0.00 C ATOM 661 OG1 THR A 44 -0.384 7.904 2.049 1.00 0.00 O ATOM 662 CG2 THR A 44 -0.859 9.356 0.173 1.00 0.00 C ATOM 0 H THR A 44 -3.093 9.932 0.166 1.00 0.00 H new ATOM 0 HA THR A 44 -3.153 7.403 1.843 1.00 0.00 H new ATOM 0 HB THR A 44 -1.327 7.254 0.358 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.510 7.760 1.674 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.145 9.185 -0.216 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.549 9.505 -0.657 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.856 10.243 0.806 1.00 0.00 H new ATOM 670 N PRO A 45 -2.557 8.704 3.986 1.00 0.00 N ATOM 671 CA PRO A 45 -2.566 9.497 5.244 1.00 0.00 C ATOM 672 C PRO A 45 -1.968 10.908 5.093 1.00 0.00 C ATOM 673 O PRO A 45 -2.509 11.854 5.632 1.00 0.00 O ATOM 674 CB PRO A 45 -1.771 8.616 6.212 1.00 0.00 C ATOM 675 CG PRO A 45 -2.137 7.227 5.804 1.00 0.00 C ATOM 676 CD PRO A 45 -2.350 7.268 4.277 1.00 0.00 C ATOM 0 HA PRO A 45 -3.578 9.710 5.589 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -0.699 8.790 6.124 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -2.042 8.814 7.249 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.348 6.523 6.068 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.042 6.897 6.314 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.487 6.872 3.742 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.212 6.671 3.977 1.00 0.00 H new ATOM 684 N PRO A 46 -0.887 11.079 4.368 1.00 0.00 N ATOM 685 CA PRO A 46 -0.260 12.403 4.157 1.00 0.00 C ATOM 686 C PRO A 46 -0.689 13.029 2.822 1.00 0.00 C ATOM 687 O PRO A 46 -0.143 14.027 2.395 1.00 0.00 O ATOM 688 CB PRO A 46 1.247 12.063 4.157 1.00 0.00 C ATOM 689 CG PRO A 46 1.322 10.558 3.985 1.00 0.00 C ATOM 690 CD PRO A 46 -0.092 10.084 3.662 1.00 0.00 C ATOM 0 HA PRO A 46 -0.543 13.137 4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.765 12.577 3.348 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.720 12.376 5.088 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.012 10.294 3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.692 10.082 4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.291 10.082 2.590 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.281 9.073 4.024 1.00 0.00 H new ATOM 698 N LYS A 47 -1.647 12.431 2.157 1.00 0.00 N ATOM 699 CA LYS A 47 -2.117 12.952 0.837 1.00 0.00 C ATOM 700 C LYS A 47 -0.908 13.396 0.008 1.00 0.00 C ATOM 701 O LYS A 47 -1.027 14.217 -0.875 1.00 0.00 O ATOM 702 CB LYS A 47 -3.106 14.143 1.016 1.00 0.00 C ATOM 703 CG LYS A 47 -3.673 14.196 2.460 1.00 0.00 C ATOM 704 CD LYS A 47 -2.808 15.113 3.384 1.00 0.00 C ATOM 705 CE LYS A 47 -3.619 16.339 3.827 1.00 0.00 C ATOM 706 NZ LYS A 47 -2.791 17.188 4.730 1.00 0.00 N ATOM 0 H LYS A 47 -2.130 11.592 2.478 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.648 12.153 0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.596 15.079 0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.926 14.047 0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.698 14.566 2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.707 13.189 2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.477 14.552 4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.912 15.434 2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.932 16.915 2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.526 16.021 4.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.389 17.921 5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.374 16.597 5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.031 17.640 4.182 1.00 0.00 H new ATOM 720 N LEU A 48 0.254 12.867 0.308 1.00 0.00 N ATOM 721 CA LEU A 48 1.489 13.267 -0.435 1.00 0.00 C ATOM 722 C LEU A 48 1.501 14.793 -0.551 1.00 0.00 C ATOM 723 O LEU A 48 2.007 15.482 0.313 1.00 0.00 O ATOM 724 CB LEU A 48 1.486 12.597 -1.827 1.00 0.00 C ATOM 725 CG LEU A 48 2.793 12.849 -2.629 1.00 0.00 C ATOM 726 CD1 LEU A 48 2.802 14.248 -3.267 1.00 0.00 C ATOM 727 CD2 LEU A 48 4.032 12.690 -1.739 1.00 0.00 C ATOM 0 H LEU A 48 0.400 12.172 1.040 1.00 0.00 H new ATOM 0 HA LEU A 48 2.387 12.943 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.342 11.523 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.637 12.969 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 48 2.825 12.101 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.731 14.390 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.956 14.343 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.726 15.005 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.930 12.873 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.985 13.406 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.063 11.678 -1.336 1.00 0.00 H new ATOM 739 N GLU A 49 0.925 15.333 -1.587 1.00 0.00 N ATOM 740 CA GLU A 49 0.888 16.810 -1.710 1.00 0.00 C ATOM 741 C GLU A 49 0.038 17.375 -0.573 1.00 0.00 C ATOM 742 O GLU A 49 -1.173 17.280 -0.577 1.00 0.00 O ATOM 743 CB GLU A 49 0.282 17.208 -3.061 1.00 0.00 C ATOM 744 CG GLU A 49 -0.849 16.236 -3.422 1.00 0.00 C ATOM 745 CD GLU A 49 -1.787 16.887 -4.444 1.00 0.00 C ATOM 746 OE1 GLU A 49 -2.330 17.935 -4.136 1.00 0.00 O ATOM 747 OE2 GLU A 49 -1.946 16.324 -5.515 1.00 0.00 O ATOM 0 H GLU A 49 0.482 14.818 -2.348 1.00 0.00 H new ATOM 0 HA GLU A 49 1.900 17.211 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.102 18.227 -3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.050 17.192 -3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.433 15.316 -3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.406 15.963 -2.526 1.00 0.00 H new ATOM 754 N ASP A 50 0.668 17.971 0.398 1.00 0.00 N ATOM 755 CA ASP A 50 -0.087 18.558 1.541 1.00 0.00 C ATOM 756 C ASP A 50 -0.358 20.028 1.224 1.00 0.00 C ATOM 757 O ASP A 50 -0.930 20.757 2.009 1.00 0.00 O ATOM 758 CB ASP A 50 0.761 18.457 2.812 1.00 0.00 C ATOM 759 CG ASP A 50 0.085 19.235 3.942 1.00 0.00 C ATOM 760 OD1 ASP A 50 -0.923 18.761 4.441 1.00 0.00 O ATOM 761 OD2 ASP A 50 0.585 20.292 4.289 1.00 0.00 O ATOM 0 H ASP A 50 1.681 18.078 0.451 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.025 18.025 1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.883 17.412 3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.759 18.856 2.628 1.00 0.00 H new ATOM 766 N LYS A 51 0.063 20.458 0.068 1.00 0.00 N ATOM 767 CA LYS A 51 -0.147 21.873 -0.337 1.00 0.00 C ATOM 768 C LYS A 51 0.124 22.003 -1.839 1.00 0.00 C ATOM 769 O LYS A 51 -0.788 22.042 -2.642 1.00 0.00 O ATOM 770 CB LYS A 51 0.814 22.772 0.454 1.00 0.00 C ATOM 771 CG LYS A 51 2.254 22.170 0.469 1.00 0.00 C ATOM 772 CD LYS A 51 2.693 21.852 1.906 1.00 0.00 C ATOM 773 CE LYS A 51 4.039 21.123 1.881 1.00 0.00 C ATOM 774 NZ LYS A 51 4.585 21.033 3.264 1.00 0.00 N ATOM 0 H LYS A 51 0.549 19.882 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.172 22.179 -0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.836 23.767 0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.453 22.887 1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.281 21.263 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.953 22.874 0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.777 22.772 2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.942 21.234 2.398 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.915 20.124 1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.740 21.654 1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.499 20.538 3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.718 21.990 3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.919 20.508 3.867 1.00 0.00 H new ATOM 788 N SER A 52 1.371 22.057 -2.226 1.00 0.00 N ATOM 789 CA SER A 52 1.706 22.169 -3.667 1.00 0.00 C ATOM 790 C SER A 52 3.221 22.019 -3.843 1.00 0.00 C ATOM 791 O SER A 52 3.912 22.973 -4.144 1.00 0.00 O ATOM 792 CB SER A 52 1.260 23.536 -4.183 1.00 0.00 C ATOM 793 OG SER A 52 -0.147 23.528 -4.384 1.00 0.00 O ATOM 0 H SER A 52 2.174 22.028 -1.598 1.00 0.00 H new ATOM 0 HA SER A 52 1.196 21.387 -4.229 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.532 24.313 -3.469 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.771 23.769 -5.117 1.00 0.00 H new ATOM 0 HG SER A 52 -0.543 22.775 -3.897 1.00 0.00 H new ATOM 799 N PRO A 53 3.732 20.827 -3.661 1.00 0.00 N ATOM 800 CA PRO A 53 5.190 20.542 -3.811 1.00 0.00 C ATOM 801 C PRO A 53 5.631 20.702 -5.269 1.00 0.00 C ATOM 802 O PRO A 53 6.290 21.654 -5.636 1.00 0.00 O ATOM 803 CB PRO A 53 5.338 19.071 -3.339 1.00 0.00 C ATOM 804 CG PRO A 53 4.055 18.745 -2.640 1.00 0.00 C ATOM 805 CD PRO A 53 2.986 19.614 -3.296 1.00 0.00 C ATOM 0 HA PRO A 53 5.813 21.227 -3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.506 18.403 -4.184 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.190 18.958 -2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.814 17.687 -2.741 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.128 18.955 -1.573 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.550 19.129 -4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.167 19.834 -2.611 1.00 0.00 H new ATOM 813 N ASP A 54 5.251 19.770 -6.098 1.00 0.00 N ATOM 814 CA ASP A 54 5.607 19.827 -7.540 1.00 0.00 C ATOM 815 C ASP A 54 4.366 19.443 -8.342 1.00 0.00 C ATOM 816 O ASP A 54 3.983 20.140 -9.249 1.00 0.00 O ATOM 817 CB ASP A 54 6.735 18.830 -7.824 1.00 0.00 C ATOM 818 CG ASP A 54 7.949 19.174 -6.959 1.00 0.00 C ATOM 819 OD1 ASP A 54 8.647 20.115 -7.298 1.00 0.00 O ATOM 820 OD2 ASP A 54 8.164 18.488 -5.974 1.00 0.00 O ATOM 0 H ASP A 54 4.698 18.956 -5.829 1.00 0.00 H new ATOM 0 HA ASP A 54 5.943 20.827 -7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.400 17.815 -7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.006 18.862 -8.879 1.00 0.00 H new ATOM 825 N SER A 55 3.770 18.324 -7.966 1.00 0.00 N ATOM 826 CA SER A 55 2.525 17.741 -8.596 1.00 0.00 C ATOM 827 C SER A 55 2.903 16.616 -9.585 1.00 0.00 C ATOM 828 O SER A 55 2.507 15.491 -9.373 1.00 0.00 O ATOM 829 CB SER A 55 1.556 18.780 -9.230 1.00 0.00 C ATOM 830 OG SER A 55 1.405 18.520 -10.617 1.00 0.00 O ATOM 0 H SER A 55 4.123 17.756 -7.196 1.00 0.00 H new ATOM 0 HA SER A 55 1.946 17.318 -7.775 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.586 18.734 -8.735 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.942 19.788 -9.081 1.00 0.00 H new ATOM 0 HG SER A 55 0.792 19.177 -11.008 1.00 0.00 H new ATOM 836 N PRO A 56 3.679 16.852 -10.632 1.00 0.00 N ATOM 837 CA PRO A 56 4.073 15.742 -11.553 1.00 0.00 C ATOM 838 C PRO A 56 4.906 14.686 -10.808 1.00 0.00 C ATOM 839 O PRO A 56 4.624 13.506 -10.848 1.00 0.00 O ATOM 840 CB PRO A 56 4.913 16.433 -12.649 1.00 0.00 C ATOM 841 CG PRO A 56 4.566 17.881 -12.549 1.00 0.00 C ATOM 842 CD PRO A 56 4.256 18.135 -11.076 1.00 0.00 C ATOM 0 HA PRO A 56 3.211 15.215 -11.962 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.979 16.271 -12.490 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.675 16.038 -13.636 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.393 18.505 -12.888 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.707 18.121 -13.176 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.154 18.390 -10.513 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.554 18.959 -10.948 1.00 0.00 H new ATOM 850 N GLU A 57 5.929 15.125 -10.121 1.00 0.00 N ATOM 851 CA GLU A 57 6.798 14.186 -9.352 1.00 0.00 C ATOM 852 C GLU A 57 5.937 13.390 -8.358 1.00 0.00 C ATOM 853 O GLU A 57 6.423 12.527 -7.649 1.00 0.00 O ATOM 854 CB GLU A 57 7.881 15.008 -8.603 1.00 0.00 C ATOM 855 CG GLU A 57 9.282 14.678 -9.141 1.00 0.00 C ATOM 856 CD GLU A 57 9.423 15.202 -10.572 1.00 0.00 C ATOM 857 OE1 GLU A 57 8.488 15.034 -11.338 1.00 0.00 O ATOM 858 OE2 GLU A 57 10.462 15.761 -10.878 1.00 0.00 O ATOM 0 H GLU A 57 6.202 16.106 -10.060 1.00 0.00 H new ATOM 0 HA GLU A 57 7.286 13.482 -10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.682 16.073 -8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.836 14.791 -7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.042 15.128 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.445 13.600 -9.121 1.00 0.00 H new ATOM 865 N MET A 58 4.668 13.675 -8.292 1.00 0.00 N ATOM 866 CA MET A 58 3.801 12.936 -7.338 1.00 0.00 C ATOM 867 C MET A 58 3.809 11.456 -7.713 1.00 0.00 C ATOM 868 O MET A 58 3.894 10.589 -6.860 1.00 0.00 O ATOM 869 CB MET A 58 2.377 13.490 -7.416 1.00 0.00 C ATOM 870 CG MET A 58 1.461 12.696 -6.485 1.00 0.00 C ATOM 871 SD MET A 58 -0.059 13.636 -6.197 1.00 0.00 S ATOM 872 CE MET A 58 -0.998 12.307 -5.407 1.00 0.00 C ATOM 0 H MET A 58 4.196 14.384 -8.854 1.00 0.00 H new ATOM 0 HA MET A 58 4.172 13.055 -6.320 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.371 14.543 -7.136 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.009 13.431 -8.440 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.225 11.728 -6.927 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.966 12.500 -5.539 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.692 12.733 -4.682 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.557 11.757 -6.164 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.312 11.630 -4.898 1.00 0.00 H new ATOM 882 N LYS A 59 3.751 11.143 -8.979 1.00 0.00 N ATOM 883 CA LYS A 59 3.791 9.709 -9.361 1.00 0.00 C ATOM 884 C LYS A 59 5.071 9.110 -8.770 1.00 0.00 C ATOM 885 O LYS A 59 5.103 7.972 -8.358 1.00 0.00 O ATOM 886 CB LYS A 59 3.779 9.557 -10.898 1.00 0.00 C ATOM 887 CG LYS A 59 2.924 8.331 -11.307 1.00 0.00 C ATOM 888 CD LYS A 59 1.448 8.751 -11.483 1.00 0.00 C ATOM 889 CE LYS A 59 0.504 7.555 -11.252 1.00 0.00 C ATOM 890 NZ LYS A 59 -0.028 7.613 -9.861 1.00 0.00 N ATOM 0 H LYS A 59 3.679 11.807 -9.750 1.00 0.00 H new ATOM 0 HA LYS A 59 2.915 9.188 -8.976 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.376 10.460 -11.357 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.798 9.439 -11.267 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.303 7.907 -12.237 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.001 7.554 -10.547 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.207 9.550 -10.782 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.297 9.150 -12.486 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.316 7.580 -11.969 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.038 6.618 -11.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.666 6.808 -9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.761 7.570 -9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.551 8.502 -9.726 1.00 0.00 H new ATOM 904 N ASP A 60 6.125 9.884 -8.702 1.00 0.00 N ATOM 905 CA ASP A 60 7.385 9.353 -8.110 1.00 0.00 C ATOM 906 C ASP A 60 7.036 8.803 -6.730 1.00 0.00 C ATOM 907 O ASP A 60 7.502 7.752 -6.316 1.00 0.00 O ATOM 908 CB ASP A 60 8.421 10.480 -7.989 1.00 0.00 C ATOM 909 CG ASP A 60 9.823 9.880 -7.855 1.00 0.00 C ATOM 910 OD1 ASP A 60 10.317 9.352 -8.838 1.00 0.00 O ATOM 911 OD2 ASP A 60 10.380 9.963 -6.774 1.00 0.00 O ATOM 0 H ASP A 60 6.166 10.850 -9.028 1.00 0.00 H new ATOM 0 HA ASP A 60 7.813 8.571 -8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.374 11.126 -8.866 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.197 11.102 -7.122 1.00 0.00 H new ATOM 916 N PHE A 61 6.166 9.482 -6.032 1.00 0.00 N ATOM 917 CA PHE A 61 5.738 8.968 -4.709 1.00 0.00 C ATOM 918 C PHE A 61 5.232 7.540 -4.936 1.00 0.00 C ATOM 919 O PHE A 61 5.428 6.659 -4.122 1.00 0.00 O ATOM 920 CB PHE A 61 4.634 9.873 -4.132 1.00 0.00 C ATOM 921 CG PHE A 61 4.613 9.779 -2.618 1.00 0.00 C ATOM 922 CD1 PHE A 61 5.746 10.144 -1.872 1.00 0.00 C ATOM 923 CD2 PHE A 61 3.460 9.331 -1.957 1.00 0.00 C ATOM 924 CE1 PHE A 61 5.722 10.060 -0.474 1.00 0.00 C ATOM 925 CE2 PHE A 61 3.439 9.249 -0.562 1.00 0.00 C ATOM 926 CZ PHE A 61 4.570 9.611 0.179 1.00 0.00 C ATOM 0 H PHE A 61 5.739 10.362 -6.321 1.00 0.00 H new ATOM 0 HA PHE A 61 6.557 8.966 -3.990 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.805 10.906 -4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.665 9.578 -4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.636 10.490 -2.377 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.587 9.049 -2.527 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.593 10.342 0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.549 8.906 -0.055 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.553 9.543 1.257 1.00 0.00 H new ATOM 936 N ARG A 62 4.633 7.294 -6.082 1.00 0.00 N ATOM 937 CA ARG A 62 4.180 5.909 -6.397 1.00 0.00 C ATOM 938 C ARG A 62 5.389 5.003 -6.252 1.00 0.00 C ATOM 939 O ARG A 62 5.296 3.906 -5.768 1.00 0.00 O ATOM 940 CB ARG A 62 3.662 5.819 -7.845 1.00 0.00 C ATOM 941 CG ARG A 62 2.806 4.554 -8.010 1.00 0.00 C ATOM 942 CD ARG A 62 2.664 4.201 -9.497 1.00 0.00 C ATOM 943 NE ARG A 62 2.086 2.831 -9.625 1.00 0.00 N ATOM 944 CZ ARG A 62 1.457 2.482 -10.717 1.00 0.00 C ATOM 945 NH1 ARG A 62 1.327 3.333 -11.699 1.00 0.00 N ATOM 946 NH2 ARG A 62 0.956 1.282 -10.823 1.00 0.00 N ATOM 0 H ARG A 62 4.442 7.990 -6.803 1.00 0.00 H new ATOM 0 HA ARG A 62 3.371 5.619 -5.727 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.072 6.703 -8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.501 5.796 -8.541 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.264 3.723 -7.474 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.821 4.712 -7.571 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.022 4.927 -9.995 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.636 4.245 -9.988 1.00 0.00 H new ATOM 0 HE ARG A 62 2.182 2.165 -8.858 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.716 4.272 -11.615 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.836 3.059 -12.550 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.055 0.618 -10.055 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.465 1.008 -11.674 1.00 0.00 H new ATOM 960 N HIS A 63 6.536 5.471 -6.661 1.00 0.00 N ATOM 961 CA HIS A 63 7.756 4.636 -6.538 1.00 0.00 C ATOM 962 C HIS A 63 7.857 4.140 -5.094 1.00 0.00 C ATOM 963 O HIS A 63 8.257 3.027 -4.844 1.00 0.00 O ATOM 964 CB HIS A 63 8.991 5.476 -6.910 1.00 0.00 C ATOM 965 CG HIS A 63 10.089 4.576 -7.414 1.00 0.00 C ATOM 966 ND1 HIS A 63 9.850 3.571 -8.339 1.00 0.00 N ATOM 967 CD2 HIS A 63 11.432 4.520 -7.136 1.00 0.00 C ATOM 968 CE1 HIS A 63 11.022 2.956 -8.582 1.00 0.00 C ATOM 969 NE2 HIS A 63 12.020 3.495 -7.875 1.00 0.00 N ATOM 0 H HIS A 63 6.678 6.393 -7.073 1.00 0.00 H new ATOM 0 HA HIS A 63 7.706 3.781 -7.213 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.728 6.207 -7.675 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.337 6.035 -6.041 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.953 5.171 -6.450 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.142 2.128 -9.265 1.00 0.00 H new ATOM 0 HE2 HIS A 63 13.001 3.216 -7.876 1.00 0.00 H new ATOM 977 N GLY A 64 7.472 4.958 -4.146 1.00 0.00 N ATOM 978 CA GLY A 64 7.521 4.522 -2.710 1.00 0.00 C ATOM 979 C GLY A 64 6.437 3.458 -2.474 1.00 0.00 C ATOM 980 O GLY A 64 6.683 2.395 -1.925 1.00 0.00 O ATOM 0 H GLY A 64 7.127 5.905 -4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.505 4.117 -2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.361 5.376 -2.051 1.00 0.00 H new ATOM 984 N PHE A 65 5.239 3.732 -2.914 1.00 0.00 N ATOM 985 CA PHE A 65 4.134 2.746 -2.753 1.00 0.00 C ATOM 986 C PHE A 65 4.458 1.560 -3.652 1.00 0.00 C ATOM 987 O PHE A 65 4.209 0.421 -3.329 1.00 0.00 O ATOM 988 CB PHE A 65 2.834 3.394 -3.260 1.00 0.00 C ATOM 989 CG PHE A 65 2.011 3.941 -2.126 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.103 3.112 -1.464 1.00 0.00 C ATOM 991 CD2 PHE A 65 2.141 5.280 -1.756 1.00 0.00 C ATOM 992 CE1 PHE A 65 0.320 3.624 -0.426 1.00 0.00 C ATOM 993 CE2 PHE A 65 1.359 5.796 -0.724 1.00 0.00 C ATOM 994 CZ PHE A 65 0.448 4.966 -0.056 1.00 0.00 C ATOM 0 H PHE A 65 4.978 4.601 -3.380 1.00 0.00 H new ATOM 0 HA PHE A 65 4.023 2.438 -1.713 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.074 4.197 -3.957 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.250 2.657 -3.812 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.006 2.076 -1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.847 5.916 -2.269 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.382 2.985 0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.455 6.833 -0.440 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.156 5.364 0.746 1.00 0.00 H new ATOM 1004 N ASP A 66 5.002 1.846 -4.794 1.00 0.00 N ATOM 1005 CA ASP A 66 5.339 0.778 -5.763 1.00 0.00 C ATOM 1006 C ASP A 66 6.044 -0.355 -5.016 1.00 0.00 C ATOM 1007 O ASP A 66 5.798 -1.521 -5.252 1.00 0.00 O ATOM 1008 CB ASP A 66 6.285 1.335 -6.828 1.00 0.00 C ATOM 1009 CG ASP A 66 6.497 0.286 -7.920 1.00 0.00 C ATOM 1010 OD1 ASP A 66 5.714 0.266 -8.857 1.00 0.00 O ATOM 1011 OD2 ASP A 66 7.437 -0.482 -7.802 1.00 0.00 O ATOM 0 H ASP A 66 5.231 2.791 -5.102 1.00 0.00 H new ATOM 0 HA ASP A 66 4.430 0.410 -6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.869 2.245 -7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.240 1.604 -6.377 1.00 0.00 H new ATOM 1016 N ILE A 67 6.910 -0.010 -4.101 1.00 0.00 N ATOM 1017 CA ILE A 67 7.623 -1.053 -3.315 1.00 0.00 C ATOM 1018 C ILE A 67 6.624 -1.815 -2.435 1.00 0.00 C ATOM 1019 O ILE A 67 6.422 -3.005 -2.592 1.00 0.00 O ATOM 1020 CB ILE A 67 8.685 -0.394 -2.416 1.00 0.00 C ATOM 1021 CG1 ILE A 67 9.274 0.823 -3.136 1.00 0.00 C ATOM 1022 CG2 ILE A 67 9.793 -1.404 -2.085 1.00 0.00 C ATOM 1023 CD1 ILE A 67 10.561 1.285 -2.443 1.00 0.00 C ATOM 0 H ILE A 67 7.154 0.952 -3.865 1.00 0.00 H new ATOM 0 HA ILE A 67 8.106 -1.746 -4.004 1.00 0.00 H new ATOM 0 HB ILE A 67 8.222 -0.070 -1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.484 0.572 -4.176 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.547 1.635 -3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 67 10.540 -0.929 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.362 -2.259 -1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 67 10.265 -1.742 -3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 67 10.966 2.150 -2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.341 1.557 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.292 0.477 -2.458 1.00 0.00 H new ATOM 1035 N LEU A 68 6.023 -1.142 -1.480 1.00 0.00 N ATOM 1036 CA LEU A 68 5.075 -1.848 -0.568 1.00 0.00 C ATOM 1037 C LEU A 68 3.955 -2.543 -1.370 1.00 0.00 C ATOM 1038 O LEU A 68 3.695 -3.718 -1.184 1.00 0.00 O ATOM 1039 CB LEU A 68 4.531 -0.868 0.508 1.00 0.00 C ATOM 1040 CG LEU A 68 3.471 0.112 -0.051 1.00 0.00 C ATOM 1041 CD1 LEU A 68 2.050 -0.428 0.168 1.00 0.00 C ATOM 1042 CD2 LEU A 68 3.592 1.470 0.676 1.00 0.00 C ATOM 0 H LEU A 68 6.148 -0.146 -1.297 1.00 0.00 H new ATOM 0 HA LEU A 68 5.608 -2.638 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.094 -1.441 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.361 -0.298 0.926 1.00 0.00 H new ATOM 0 HG LEU A 68 3.649 0.228 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.326 0.280 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.942 -1.386 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.872 -0.562 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.846 2.161 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.427 1.327 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.588 1.882 0.515 1.00 0.00 H new ATOM 1054 N VAL A 69 3.295 -1.854 -2.265 1.00 0.00 N ATOM 1055 CA VAL A 69 2.212 -2.520 -3.060 1.00 0.00 C ATOM 1056 C VAL A 69 2.802 -3.641 -3.931 1.00 0.00 C ATOM 1057 O VAL A 69 2.092 -4.489 -4.432 1.00 0.00 O ATOM 1058 CB VAL A 69 1.510 -1.494 -3.959 1.00 0.00 C ATOM 1059 CG1 VAL A 69 1.108 -0.270 -3.132 1.00 0.00 C ATOM 1060 CG2 VAL A 69 2.437 -1.079 -5.122 1.00 0.00 C ATOM 0 H VAL A 69 3.454 -0.870 -2.481 1.00 0.00 H new ATOM 0 HA VAL A 69 1.489 -2.948 -2.366 1.00 0.00 H new ATOM 0 HB VAL A 69 0.612 -1.945 -4.380 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.610 0.456 -3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.429 -0.576 -2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.998 0.183 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.926 -0.351 -5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.348 -0.636 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.692 -1.957 -5.716 1.00 0.00 H new ATOM 1070 N GLY A 70 4.089 -3.631 -4.134 1.00 0.00 N ATOM 1071 CA GLY A 70 4.730 -4.674 -4.996 1.00 0.00 C ATOM 1072 C GLY A 70 4.669 -6.047 -4.328 1.00 0.00 C ATOM 1073 O GLY A 70 4.204 -7.002 -4.917 1.00 0.00 O ATOM 0 H GLY A 70 4.731 -2.944 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.227 -4.713 -5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.769 -4.405 -5.188 1.00 0.00 H new ATOM 1077 N GLN A 71 5.138 -6.175 -3.121 1.00 0.00 N ATOM 1078 CA GLN A 71 5.094 -7.516 -2.478 1.00 0.00 C ATOM 1079 C GLN A 71 3.641 -7.893 -2.187 1.00 0.00 C ATOM 1080 O GLN A 71 3.318 -9.053 -2.017 1.00 0.00 O ATOM 1081 CB GLN A 71 5.919 -7.511 -1.184 1.00 0.00 C ATOM 1082 CG GLN A 71 5.793 -6.152 -0.494 1.00 0.00 C ATOM 1083 CD GLN A 71 6.342 -6.247 0.932 1.00 0.00 C ATOM 1084 OE1 GLN A 71 6.195 -7.356 1.605 1.00 0.00 O flip ATOM 1085 NE2 GLN A 71 6.912 -5.302 1.439 1.00 0.00 N flip ATOM 0 H GLN A 71 5.543 -5.426 -2.560 1.00 0.00 H new ATOM 0 HA GLN A 71 5.524 -8.255 -3.154 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.572 -8.301 -0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 71 6.965 -7.720 -1.408 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.341 -5.395 -1.056 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.749 -5.839 -0.472 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.028 -4.435 0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.275 -5.375 2.389 1.00 0.00 H new ATOM 1094 N ILE A 72 2.755 -6.938 -2.153 1.00 0.00 N ATOM 1095 CA ILE A 72 1.329 -7.284 -1.900 1.00 0.00 C ATOM 1096 C ILE A 72 0.868 -8.211 -3.033 1.00 0.00 C ATOM 1097 O ILE A 72 0.525 -9.358 -2.814 1.00 0.00 O ATOM 1098 CB ILE A 72 0.480 -5.990 -1.879 1.00 0.00 C ATOM 1099 CG1 ILE A 72 0.491 -5.397 -0.460 1.00 0.00 C ATOM 1100 CG2 ILE A 72 -0.977 -6.277 -2.289 1.00 0.00 C ATOM 1101 CD1 ILE A 72 -0.181 -4.013 -0.442 1.00 0.00 C ATOM 0 H ILE A 72 2.952 -5.946 -2.287 1.00 0.00 H new ATOM 0 HA ILE A 72 1.212 -7.783 -0.938 1.00 0.00 H new ATOM 0 HB ILE A 72 0.912 -5.286 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.029 -6.068 0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.518 -5.313 -0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.551 -5.351 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.997 -6.691 -3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.416 -6.993 -1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.162 -3.612 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.357 -3.339 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.214 -4.106 -0.776 1.00 0.00 H new ATOM 1113 N ASP A 73 0.869 -7.724 -4.244 1.00 0.00 N ATOM 1114 CA ASP A 73 0.444 -8.577 -5.385 1.00 0.00 C ATOM 1115 C ASP A 73 1.297 -9.835 -5.390 1.00 0.00 C ATOM 1116 O ASP A 73 0.841 -10.899 -5.727 1.00 0.00 O ATOM 1117 CB ASP A 73 0.647 -7.831 -6.707 1.00 0.00 C ATOM 1118 CG ASP A 73 2.140 -7.572 -6.929 1.00 0.00 C ATOM 1119 OD1 ASP A 73 2.865 -8.534 -7.124 1.00 0.00 O ATOM 1120 OD2 ASP A 73 2.532 -6.417 -6.901 1.00 0.00 O ATOM 0 H ASP A 73 1.146 -6.774 -4.490 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.611 -8.828 -5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.243 -8.417 -7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.103 -6.887 -6.690 1.00 0.00 H new ATOM 1125 N ASP A 74 2.538 -9.742 -5.014 1.00 0.00 N ATOM 1126 CA ASP A 74 3.354 -10.973 -5.023 1.00 0.00 C ATOM 1127 C ASP A 74 2.674 -11.987 -4.112 1.00 0.00 C ATOM 1128 O ASP A 74 2.847 -13.180 -4.254 1.00 0.00 O ATOM 1129 CB ASP A 74 4.771 -10.669 -4.555 1.00 0.00 C ATOM 1130 CG ASP A 74 5.655 -11.903 -4.751 1.00 0.00 C ATOM 1131 OD1 ASP A 74 5.113 -12.952 -5.054 1.00 0.00 O ATOM 1132 OD2 ASP A 74 6.859 -11.776 -4.597 1.00 0.00 O ATOM 0 H ASP A 74 3.009 -8.890 -4.709 1.00 0.00 H new ATOM 0 HA ASP A 74 3.430 -11.380 -6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.176 -9.827 -5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.763 -10.379 -3.504 1.00 0.00 H new ATOM 1137 N ALA A 75 1.838 -11.527 -3.221 1.00 0.00 N ATOM 1138 CA ALA A 75 1.093 -12.486 -2.377 1.00 0.00 C ATOM 1139 C ALA A 75 0.060 -13.124 -3.301 1.00 0.00 C ATOM 1140 O ALA A 75 -0.230 -14.301 -3.235 1.00 0.00 O ATOM 1141 CB ALA A 75 0.396 -11.769 -1.228 1.00 0.00 C ATOM 0 H ALA A 75 1.644 -10.541 -3.047 1.00 0.00 H new ATOM 0 HA ALA A 75 1.759 -13.226 -1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.145 -12.495 -0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.138 -11.262 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.305 -11.036 -1.628 1.00 0.00 H new ATOM 1147 N LEU A 76 -0.457 -12.326 -4.205 1.00 0.00 N ATOM 1148 CA LEU A 76 -1.439 -12.825 -5.211 1.00 0.00 C ATOM 1149 C LEU A 76 -0.752 -13.946 -5.979 1.00 0.00 C ATOM 1150 O LEU A 76 -1.320 -14.979 -6.262 1.00 0.00 O ATOM 1151 CB LEU A 76 -1.780 -11.655 -6.165 1.00 0.00 C ATOM 1152 CG LEU A 76 -3.083 -11.919 -6.962 1.00 0.00 C ATOM 1153 CD1 LEU A 76 -3.745 -10.575 -7.333 1.00 0.00 C ATOM 1154 CD2 LEU A 76 -2.776 -12.688 -8.258 1.00 0.00 C ATOM 0 H LEU A 76 -0.234 -11.334 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.357 -13.191 -4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.887 -10.736 -5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.954 -11.501 -6.860 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.753 -12.512 -6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.661 -10.763 -7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.983 -10.023 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.060 -9.988 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.702 -12.864 -8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.096 -12.102 -8.876 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.312 -13.643 -8.013 1.00 0.00 H new ATOM 1166 N LYS A 77 0.488 -13.726 -6.297 1.00 0.00 N ATOM 1167 CA LYS A 77 1.298 -14.726 -7.033 1.00 0.00 C ATOM 1168 C LYS A 77 1.397 -16.004 -6.209 1.00 0.00 C ATOM 1169 O LYS A 77 1.204 -17.110 -6.685 1.00 0.00 O ATOM 1170 CB LYS A 77 2.687 -14.101 -7.204 1.00 0.00 C ATOM 1171 CG LYS A 77 3.442 -14.720 -8.371 1.00 0.00 C ATOM 1172 CD LYS A 77 4.833 -14.044 -8.486 1.00 0.00 C ATOM 1173 CE LYS A 77 5.866 -14.804 -7.636 1.00 0.00 C ATOM 1174 NZ LYS A 77 6.451 -15.915 -8.440 1.00 0.00 N ATOM 0 H LYS A 77 0.988 -12.867 -6.069 1.00 0.00 H new ATOM 0 HA LYS A 77 0.856 -14.980 -7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.586 -13.028 -7.364 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.261 -14.234 -6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.556 -15.793 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.881 -14.587 -9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.152 -14.026 -9.528 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.770 -13.008 -8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.653 -14.125 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.392 -15.201 -6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.149 -16.429 -7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.696 -16.567 -8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.917 -15.525 -9.284 1.00 0.00 H new ATOM 1188 N LEU A 78 1.701 -15.838 -4.970 1.00 0.00 N ATOM 1189 CA LEU A 78 1.839 -16.973 -4.048 1.00 0.00 C ATOM 1190 C LEU A 78 0.480 -17.676 -3.887 1.00 0.00 C ATOM 1191 O LEU A 78 0.351 -18.852 -4.147 1.00 0.00 O ATOM 1192 CB LEU A 78 2.308 -16.364 -2.727 1.00 0.00 C ATOM 1193 CG LEU A 78 3.831 -16.497 -2.570 1.00 0.00 C ATOM 1194 CD1 LEU A 78 4.534 -15.563 -3.559 1.00 0.00 C ATOM 1195 CD2 LEU A 78 4.222 -16.116 -1.146 1.00 0.00 C ATOM 0 H LEU A 78 1.866 -14.927 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 78 2.543 -17.724 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.025 -15.312 -2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.808 -16.861 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 78 4.130 -17.525 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.614 -15.659 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.251 -15.831 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.239 -14.533 -3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.302 -16.208 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.922 -15.087 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.722 -16.780 -0.441 1.00 0.00 H new ATOM 1207 N ALA A 79 -0.526 -16.964 -3.457 1.00 0.00 N ATOM 1208 CA ALA A 79 -1.869 -17.589 -3.272 1.00 0.00 C ATOM 1209 C ALA A 79 -2.209 -18.473 -4.478 1.00 0.00 C ATOM 1210 O ALA A 79 -2.814 -19.517 -4.334 1.00 0.00 O ATOM 1211 CB ALA A 79 -2.926 -16.490 -3.132 1.00 0.00 C ATOM 0 H ALA A 79 -0.476 -15.972 -3.225 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.855 -18.204 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.908 -16.944 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.692 -15.868 -2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.932 -15.874 -4.031 1.00 0.00 H new ATOM 1217 N ASN A 80 -1.810 -18.089 -5.664 1.00 0.00 N ATOM 1218 CA ASN A 80 -2.109 -18.951 -6.847 1.00 0.00 C ATOM 1219 C ASN A 80 -1.341 -20.261 -6.678 1.00 0.00 C ATOM 1220 O ASN A 80 -1.759 -21.308 -7.130 1.00 0.00 O ATOM 1221 CB ASN A 80 -1.673 -18.257 -8.144 1.00 0.00 C ATOM 1222 CG ASN A 80 -1.952 -16.756 -8.059 1.00 0.00 C ATOM 1223 OD1 ASN A 80 -1.170 -15.961 -8.540 1.00 0.00 O ATOM 1224 ND2 ASN A 80 -3.035 -16.322 -7.468 1.00 0.00 N ATOM 0 H ASN A 80 -1.298 -17.230 -5.863 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.181 -19.138 -6.909 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -0.610 -18.428 -8.317 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.207 -18.686 -8.992 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.219 -15.320 -7.413 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.695 -16.985 -7.062 1.00 0.00 H new ATOM 1231 N GLU A 81 -0.217 -20.203 -6.013 1.00 0.00 N ATOM 1232 CA GLU A 81 0.591 -21.437 -5.790 1.00 0.00 C ATOM 1233 C GLU A 81 0.055 -22.166 -4.550 1.00 0.00 C ATOM 1234 O GLU A 81 0.570 -23.187 -4.144 1.00 0.00 O ATOM 1235 CB GLU A 81 2.057 -21.048 -5.568 1.00 0.00 C ATOM 1236 CG GLU A 81 2.924 -22.309 -5.437 1.00 0.00 C ATOM 1237 CD GLU A 81 4.391 -21.962 -5.709 1.00 0.00 C ATOM 1238 OE1 GLU A 81 4.635 -21.147 -6.583 1.00 0.00 O ATOM 1239 OE2 GLU A 81 5.244 -22.519 -5.038 1.00 0.00 O ATOM 0 H GLU A 81 0.177 -19.351 -5.614 1.00 0.00 H new ATOM 0 HA GLU A 81 0.520 -22.092 -6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.410 -20.440 -6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.148 -20.440 -4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.820 -22.730 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.584 -23.069 -6.140 1.00 0.00 H new ATOM 1246 N GLY A 82 -1.004 -21.662 -3.967 1.00 0.00 N ATOM 1247 CA GLY A 82 -1.605 -22.335 -2.771 1.00 0.00 C ATOM 1248 C GLY A 82 -0.967 -21.834 -1.469 1.00 0.00 C ATOM 1249 O GLY A 82 -0.709 -22.606 -0.566 1.00 0.00 O ATOM 0 H GLY A 82 -1.480 -20.812 -4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.679 -22.148 -2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.471 -23.414 -2.853 1.00 0.00 H new ATOM 1253 N LYS A 83 -0.728 -20.551 -1.348 1.00 0.00 N ATOM 1254 CA LYS A 83 -0.129 -20.010 -0.087 1.00 0.00 C ATOM 1255 C LYS A 83 -1.236 -19.429 0.784 1.00 0.00 C ATOM 1256 O LYS A 83 -1.284 -18.247 1.047 1.00 0.00 O ATOM 1257 CB LYS A 83 0.862 -18.902 -0.433 1.00 0.00 C ATOM 1258 CG LYS A 83 2.002 -19.426 -1.333 1.00 0.00 C ATOM 1259 CD LYS A 83 2.485 -20.823 -0.911 1.00 0.00 C ATOM 1260 CE LYS A 83 3.806 -21.140 -1.619 1.00 0.00 C ATOM 1261 NZ LYS A 83 4.910 -20.367 -0.983 1.00 0.00 N ATOM 0 H LYS A 83 -0.922 -19.855 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 83 0.383 -20.811 0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.340 -18.090 -0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.281 -18.488 0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.659 -19.460 -2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.839 -18.729 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.621 -20.862 0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.735 -21.572 -1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.015 -22.208 -1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.733 -20.887 -2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.821 -20.821 -1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.912 -19.395 -1.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.769 -20.345 0.047 1.00 0.00 H new ATOM 1275 N VAL A 84 -2.120 -20.263 1.230 1.00 0.00 N ATOM 1276 CA VAL A 84 -3.241 -19.789 2.089 1.00 0.00 C ATOM 1277 C VAL A 84 -2.704 -19.159 3.384 1.00 0.00 C ATOM 1278 O VAL A 84 -3.128 -18.093 3.785 1.00 0.00 O ATOM 1279 CB VAL A 84 -4.136 -20.981 2.440 1.00 0.00 C ATOM 1280 CG1 VAL A 84 -5.308 -20.510 3.301 1.00 0.00 C ATOM 1281 CG2 VAL A 84 -4.673 -21.612 1.153 1.00 0.00 C ATOM 0 H VAL A 84 -2.119 -21.265 1.037 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.809 -19.035 1.545 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.554 -21.718 2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.943 -21.361 3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.928 -20.061 4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.890 -19.771 2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.310 -22.461 1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.253 -20.873 0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.839 -21.952 0.539 1.00 0.00 H new ATOM 1291 N LYS A 85 -1.786 -19.812 4.048 1.00 0.00 N ATOM 1292 CA LYS A 85 -1.236 -19.261 5.323 1.00 0.00 C ATOM 1293 C LYS A 85 -0.261 -18.128 5.031 1.00 0.00 C ATOM 1294 O LYS A 85 -0.331 -17.053 5.593 1.00 0.00 O ATOM 1295 CB LYS A 85 -0.494 -20.369 6.088 1.00 0.00 C ATOM 1296 CG LYS A 85 0.505 -21.105 5.173 1.00 0.00 C ATOM 1297 CD LYS A 85 0.860 -22.472 5.764 1.00 0.00 C ATOM 1298 CE LYS A 85 1.260 -22.321 7.234 1.00 0.00 C ATOM 1299 NZ LYS A 85 2.003 -23.536 7.668 1.00 0.00 N ATOM 0 H LYS A 85 -1.392 -20.708 3.761 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.063 -18.882 5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.036 -19.936 6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.214 -21.081 6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.074 -21.232 4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.408 -20.507 5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.008 -23.146 5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.679 -22.919 5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.881 -21.435 7.365 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.373 -22.183 7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.277 -23.437 8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.395 -24.373 7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.857 -23.648 7.085 1.00 0.00 H new ATOM 1313 N GLU A 86 0.658 -18.395 4.172 1.00 0.00 N ATOM 1314 CA GLU A 86 1.702 -17.400 3.812 1.00 0.00 C ATOM 1315 C GLU A 86 1.057 -16.155 3.183 1.00 0.00 C ATOM 1316 O GLU A 86 1.429 -15.039 3.483 1.00 0.00 O ATOM 1317 CB GLU A 86 2.667 -18.092 2.824 1.00 0.00 C ATOM 1318 CG GLU A 86 4.001 -18.444 3.509 1.00 0.00 C ATOM 1319 CD GLU A 86 4.918 -17.218 3.524 1.00 0.00 C ATOM 1320 OE1 GLU A 86 4.415 -16.127 3.737 1.00 0.00 O ATOM 1321 OE2 GLU A 86 6.109 -17.392 3.322 1.00 0.00 O ATOM 0 H GLU A 86 0.740 -19.287 3.684 1.00 0.00 H new ATOM 0 HA GLU A 86 2.246 -17.064 4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.205 -18.998 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.853 -17.437 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.818 -18.785 4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.486 -19.265 2.981 1.00 0.00 H new ATOM 1328 N ALA A 87 0.099 -16.330 2.316 1.00 0.00 N ATOM 1329 CA ALA A 87 -0.547 -15.142 1.685 1.00 0.00 C ATOM 1330 C ALA A 87 -1.234 -14.302 2.767 1.00 0.00 C ATOM 1331 O ALA A 87 -1.089 -13.096 2.814 1.00 0.00 O ATOM 1332 CB ALA A 87 -1.589 -15.597 0.660 1.00 0.00 C ATOM 0 H ALA A 87 -0.263 -17.236 2.018 1.00 0.00 H new ATOM 0 HA ALA A 87 0.214 -14.546 1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.056 -14.724 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.103 -16.194 -0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.351 -16.198 1.157 1.00 0.00 H new ATOM 1338 N GLN A 88 -1.976 -14.927 3.642 1.00 0.00 N ATOM 1339 CA GLN A 88 -2.665 -14.158 4.721 1.00 0.00 C ATOM 1340 C GLN A 88 -1.610 -13.521 5.636 1.00 0.00 C ATOM 1341 O GLN A 88 -1.736 -12.386 6.053 1.00 0.00 O ATOM 1342 CB GLN A 88 -3.567 -15.106 5.534 1.00 0.00 C ATOM 1343 CG GLN A 88 -4.957 -15.161 4.898 1.00 0.00 C ATOM 1344 CD GLN A 88 -5.787 -16.263 5.552 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -6.295 -16.065 6.735 1.00 0.00 O flip ATOM 1346 NE2 GLN A 88 -5.977 -17.318 4.979 1.00 0.00 N flip ATOM 0 H GLN A 88 -2.135 -15.934 3.657 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.282 -13.374 4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.130 -16.104 5.564 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.641 -14.759 6.565 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -5.458 -14.200 5.014 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -4.869 -15.347 3.828 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -5.580 -17.474 4.053 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -6.534 -18.047 5.425 1.00 0.00 H new ATOM 1355 N ALA A 89 -0.567 -14.237 5.947 1.00 0.00 N ATOM 1356 CA ALA A 89 0.487 -13.656 6.825 1.00 0.00 C ATOM 1357 C ALA A 89 1.031 -12.396 6.153 1.00 0.00 C ATOM 1358 O ALA A 89 1.261 -11.378 6.788 1.00 0.00 O ATOM 1359 CB ALA A 89 1.617 -14.669 7.014 1.00 0.00 C ATOM 0 H ALA A 89 -0.398 -15.193 5.634 1.00 0.00 H new ATOM 0 HA ALA A 89 0.069 -13.410 7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.386 -14.241 7.657 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.221 -15.574 7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.050 -14.916 6.045 1.00 0.00 H new ATOM 1365 N ALA A 90 1.210 -12.441 4.863 1.00 0.00 N ATOM 1366 CA ALA A 90 1.711 -11.233 4.158 1.00 0.00 C ATOM 1367 C ALA A 90 0.695 -10.115 4.377 1.00 0.00 C ATOM 1368 O ALA A 90 1.009 -8.943 4.326 1.00 0.00 O ATOM 1369 CB ALA A 90 1.843 -11.524 2.661 1.00 0.00 C ATOM 0 H ALA A 90 1.033 -13.254 4.273 1.00 0.00 H new ATOM 0 HA ALA A 90 2.689 -10.944 4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.211 -10.635 2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.543 -12.345 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.869 -11.799 2.257 1.00 0.00 H new ATOM 1375 N ALA A 91 -0.527 -10.482 4.638 1.00 0.00 N ATOM 1376 CA ALA A 91 -1.580 -9.463 4.882 1.00 0.00 C ATOM 1377 C ALA A 91 -1.202 -8.634 6.118 1.00 0.00 C ATOM 1378 O ALA A 91 -1.192 -7.420 6.081 1.00 0.00 O ATOM 1379 CB ALA A 91 -2.919 -10.182 5.099 1.00 0.00 C ATOM 0 H ALA A 91 -0.842 -11.450 4.693 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.670 -8.792 4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.702 -9.446 5.280 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.167 -10.765 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.840 -10.846 5.960 1.00 0.00 H new ATOM 1385 N GLU A 92 -0.884 -9.278 7.212 1.00 0.00 N ATOM 1386 CA GLU A 92 -0.504 -8.519 8.441 1.00 0.00 C ATOM 1387 C GLU A 92 0.723 -7.659 8.143 1.00 0.00 C ATOM 1388 O GLU A 92 1.059 -6.760 8.889 1.00 0.00 O ATOM 1389 CB GLU A 92 -0.186 -9.493 9.585 1.00 0.00 C ATOM 1390 CG GLU A 92 -1.461 -10.259 10.013 1.00 0.00 C ATOM 1391 CD GLU A 92 -1.557 -11.594 9.264 1.00 0.00 C ATOM 1392 OE1 GLU A 92 -0.973 -12.556 9.733 1.00 0.00 O ATOM 1393 OE2 GLU A 92 -2.217 -11.629 8.240 1.00 0.00 O ATOM 0 H GLU A 92 -0.871 -10.293 7.307 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.336 -7.881 8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.581 -10.200 9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.219 -8.945 10.436 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.442 -10.438 11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.344 -9.654 9.806 1.00 0.00 H new ATOM 1400 N GLN A 93 1.384 -7.917 7.052 1.00 0.00 N ATOM 1401 CA GLN A 93 2.574 -7.105 6.699 1.00 0.00 C ATOM 1402 C GLN A 93 2.090 -5.728 6.236 1.00 0.00 C ATOM 1403 O GLN A 93 2.657 -4.717 6.591 1.00 0.00 O ATOM 1404 CB GLN A 93 3.381 -7.881 5.612 1.00 0.00 C ATOM 1405 CG GLN A 93 3.263 -7.268 4.201 1.00 0.00 C ATOM 1406 CD GLN A 93 4.149 -6.031 4.109 1.00 0.00 C ATOM 1407 OE1 GLN A 93 4.509 -5.432 5.203 1.00 0.00 O flip ATOM 1408 NE2 GLN A 93 4.516 -5.607 3.031 1.00 0.00 N flip ATOM 0 H GLN A 93 1.150 -8.657 6.390 1.00 0.00 H new ATOM 0 HA GLN A 93 3.242 -6.943 7.545 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.432 -7.907 5.901 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.033 -8.913 5.581 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.561 -7.999 3.449 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.226 -7.002 3.994 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.231 -6.080 2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.109 -4.778 2.984 1.00 0.00 H new ATOM 1417 N LEU A 94 1.034 -5.670 5.478 1.00 0.00 N ATOM 1418 CA LEU A 94 0.525 -4.339 5.033 1.00 0.00 C ATOM 1419 C LEU A 94 -0.023 -3.560 6.237 1.00 0.00 C ATOM 1420 O LEU A 94 0.138 -2.359 6.349 1.00 0.00 O ATOM 1421 CB LEU A 94 -0.601 -4.515 4.014 1.00 0.00 C ATOM 1422 CG LEU A 94 -0.912 -3.159 3.354 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.239 -2.729 2.417 1.00 0.00 C ATOM 1424 CD2 LEU A 94 -2.235 -3.262 2.569 1.00 0.00 C ATOM 0 H LEU A 94 0.503 -6.476 5.148 1.00 0.00 H new ATOM 0 HA LEU A 94 1.350 -3.792 4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.310 -5.242 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.492 -4.906 4.505 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.012 -2.402 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.002 -1.768 1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.161 -2.637 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.371 -3.478 1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.456 -2.303 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.143 -4.028 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.043 -3.528 3.251 1.00 0.00 H new ATOM 1436 N LYS A 95 -0.697 -4.234 7.122 1.00 0.00 N ATOM 1437 CA LYS A 95 -1.287 -3.548 8.308 1.00 0.00 C ATOM 1438 C LYS A 95 -0.213 -2.764 9.073 1.00 0.00 C ATOM 1439 O LYS A 95 -0.172 -1.542 9.049 1.00 0.00 O ATOM 1440 CB LYS A 95 -1.910 -4.604 9.229 1.00 0.00 C ATOM 1441 CG LYS A 95 -3.202 -5.149 8.587 1.00 0.00 C ATOM 1442 CD LYS A 95 -3.606 -6.522 9.211 1.00 0.00 C ATOM 1443 CE LYS A 95 -5.047 -6.476 9.742 1.00 0.00 C ATOM 1444 NZ LYS A 95 -5.324 -7.703 10.542 1.00 0.00 N ATOM 0 H LYS A 95 -0.867 -5.239 7.077 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.048 -2.844 7.972 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.204 -5.417 9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.131 -4.167 10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.011 -4.431 8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.057 -5.263 7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.515 -7.308 8.462 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.922 -6.773 10.022 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.190 -5.588 10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.749 -6.405 8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.300 -7.671 10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.204 -8.543 9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.662 -7.752 11.343 1.00 0.00 H new ATOM 1458 N THR A 96 0.646 -3.444 9.777 1.00 0.00 N ATOM 1459 CA THR A 96 1.681 -2.712 10.553 1.00 0.00 C ATOM 1460 C THR A 96 2.649 -1.984 9.615 1.00 0.00 C ATOM 1461 O THR A 96 3.346 -1.083 10.035 1.00 0.00 O ATOM 1462 CB THR A 96 2.453 -3.680 11.460 1.00 0.00 C ATOM 1463 OG1 THR A 96 1.561 -4.656 11.974 1.00 0.00 O ATOM 1464 CG2 THR A 96 3.086 -2.900 12.621 1.00 0.00 C ATOM 0 H THR A 96 0.677 -4.461 9.848 1.00 0.00 H new ATOM 0 HA THR A 96 1.179 -1.971 11.175 1.00 0.00 H new ATOM 0 HB THR A 96 3.238 -4.172 10.885 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.052 -5.276 12.552 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.634 -3.588 13.265 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.771 -2.150 12.225 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.303 -2.408 13.198 1.00 0.00 H new ATOM 1472 N THR A 97 2.708 -2.342 8.349 1.00 0.00 N ATOM 1473 CA THR A 97 3.648 -1.616 7.437 1.00 0.00 C ATOM 1474 C THR A 97 3.402 -0.120 7.616 1.00 0.00 C ATOM 1475 O THR A 97 4.272 0.614 8.005 1.00 0.00 O ATOM 1476 CB THR A 97 3.411 -2.009 5.969 1.00 0.00 C ATOM 1477 OG1 THR A 97 4.135 -3.186 5.686 1.00 0.00 O ATOM 1478 CG2 THR A 97 3.887 -0.903 5.015 1.00 0.00 C ATOM 0 H THR A 97 2.160 -3.087 7.919 1.00 0.00 H new ATOM 0 HA THR A 97 4.677 -1.877 7.686 1.00 0.00 H new ATOM 0 HB THR A 97 2.342 -2.163 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.530 -3.957 5.712 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.707 -1.209 3.984 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.339 0.016 5.222 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.953 -0.731 5.161 1.00 0.00 H new ATOM 1486 N ILE A 98 2.210 0.326 7.337 1.00 0.00 N ATOM 1487 CA ILE A 98 1.890 1.766 7.509 1.00 0.00 C ATOM 1488 C ILE A 98 2.215 2.180 8.946 1.00 0.00 C ATOM 1489 O ILE A 98 2.861 3.179 9.176 1.00 0.00 O ATOM 1490 CB ILE A 98 0.384 1.970 7.192 1.00 0.00 C ATOM 1491 CG1 ILE A 98 0.162 2.014 5.640 1.00 0.00 C ATOM 1492 CG2 ILE A 98 -0.155 3.264 7.853 1.00 0.00 C ATOM 1493 CD1 ILE A 98 -0.527 0.728 5.164 1.00 0.00 C ATOM 0 H ILE A 98 1.441 -0.250 6.995 1.00 0.00 H new ATOM 0 HA ILE A 98 2.481 2.385 6.834 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.170 1.127 7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.446 2.879 5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 98 1.119 2.131 5.132 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.212 3.381 7.614 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.032 3.199 8.934 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.400 4.123 7.476 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.675 0.772 4.085 1.00 0.00 H new ATOM 0 HD12 ILE A 98 0.097 -0.131 5.410 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.493 0.628 5.659 1.00 0.00 H new ATOM 1505 N ARG A 99 1.777 1.439 9.919 1.00 0.00 N ATOM 1506 CA ARG A 99 2.075 1.847 11.317 1.00 0.00 C ATOM 1507 C ARG A 99 3.600 1.868 11.567 1.00 0.00 C ATOM 1508 O ARG A 99 4.134 2.827 12.089 1.00 0.00 O ATOM 1509 CB ARG A 99 1.377 0.868 12.280 1.00 0.00 C ATOM 1510 CG ARG A 99 0.804 1.643 13.480 1.00 0.00 C ATOM 1511 CD ARG A 99 0.531 0.706 14.666 1.00 0.00 C ATOM 1512 NE ARG A 99 1.666 -0.245 14.855 1.00 0.00 N ATOM 1513 CZ ARG A 99 2.711 0.102 15.556 1.00 0.00 C ATOM 1514 NH1 ARG A 99 2.775 1.288 16.100 1.00 0.00 N ATOM 1515 NH2 ARG A 99 3.695 -0.741 15.711 1.00 0.00 N ATOM 0 H ARG A 99 1.234 0.582 9.812 1.00 0.00 H new ATOM 0 HA ARG A 99 1.700 2.856 11.490 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.578 0.339 11.761 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.085 0.115 12.625 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.505 2.422 13.782 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.120 2.142 13.187 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.385 1.292 15.574 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.391 0.151 14.493 1.00 0.00 H new ATOM 0 HE ARG A 99 1.625 -1.173 14.433 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.006 1.947 15.978 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.594 1.555 16.647 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.645 -1.667 15.285 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.514 -0.474 16.258 1.00 0.00 H new ATOM 1529 N ALA A 100 4.298 0.821 11.214 1.00 0.00 N ATOM 1530 CA ALA A 100 5.780 0.783 11.452 1.00 0.00 C ATOM 1531 C ALA A 100 6.485 1.862 10.622 1.00 0.00 C ATOM 1532 O ALA A 100 7.506 2.398 11.008 1.00 0.00 O ATOM 1533 CB ALA A 100 6.325 -0.589 11.054 1.00 0.00 C ATOM 0 H ALA A 100 3.910 -0.012 10.771 1.00 0.00 H new ATOM 0 HA ALA A 100 5.968 0.968 12.510 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.401 -0.617 11.227 1.00 0.00 H new ATOM 0 HB2 ALA A 100 5.841 -1.360 11.653 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.122 -0.769 9.998 1.00 0.00 H new ATOM 1539 N TYR A 101 5.939 2.176 9.489 1.00 0.00 N ATOM 1540 CA TYR A 101 6.539 3.211 8.600 1.00 0.00 C ATOM 1541 C TYR A 101 6.349 4.572 9.262 1.00 0.00 C ATOM 1542 O TYR A 101 6.726 5.581 8.714 1.00 0.00 O ATOM 1543 CB TYR A 101 5.785 3.192 7.249 1.00 0.00 C ATOM 1544 CG TYR A 101 6.368 2.166 6.295 1.00 0.00 C ATOM 1545 CD1 TYR A 101 6.983 1.004 6.786 1.00 0.00 C ATOM 1546 CD2 TYR A 101 6.284 2.377 4.906 1.00 0.00 C ATOM 1547 CE1 TYR A 101 7.515 0.062 5.898 1.00 0.00 C ATOM 1548 CE2 TYR A 101 6.817 1.431 4.021 1.00 0.00 C ATOM 1549 CZ TYR A 101 7.434 0.276 4.516 1.00 0.00 C ATOM 1550 OH TYR A 101 7.961 -0.654 3.642 1.00 0.00 O ATOM 0 H TYR A 101 5.084 1.753 9.129 1.00 0.00 H new ATOM 0 HA TYR A 101 7.599 3.017 8.436 1.00 0.00 H new ATOM 0 HB2 TYR A 101 4.732 2.970 7.423 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.831 4.181 6.793 1.00 0.00 H new ATOM 0 HD1 TYR A 101 7.046 0.836 7.851 1.00 0.00 H new ATOM 0 HD2 TYR A 101 5.809 3.268 4.523 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.989 -0.831 6.279 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.752 1.593 2.955 1.00 0.00 H new ATOM 0 HH TYR A 101 7.820 -0.353 2.720 1.00 0.00 H new ATOM 1560 N ASN A 102 5.695 4.579 10.404 1.00 0.00 N ATOM 1561 CA ASN A 102 5.364 5.846 11.131 1.00 0.00 C ATOM 1562 C ASN A 102 4.013 6.256 10.585 1.00 0.00 C ATOM 1563 O ASN A 102 3.881 7.272 9.932 1.00 0.00 O ATOM 1564 CB ASN A 102 6.382 6.970 10.874 1.00 0.00 C ATOM 1565 CG ASN A 102 6.132 8.105 11.864 1.00 0.00 C ATOM 1566 OD1 ASN A 102 6.799 8.210 12.874 1.00 0.00 O ATOM 1567 ND2 ASN A 102 5.184 8.968 11.608 1.00 0.00 N ATOM 0 H ASN A 102 5.369 3.734 10.873 1.00 0.00 H new ATOM 0 HA ASN A 102 5.374 5.680 12.208 1.00 0.00 H new ATOM 0 HB2 ASN A 102 7.398 6.590 10.986 1.00 0.00 H new ATOM 0 HB3 ASN A 102 6.289 7.335 9.851 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.002 9.733 12.257 1.00 0.00 H new ATOM 0 HD22 ASN A 102 4.626 8.876 10.759 1.00 0.00 H new ATOM 1574 N GLN A 103 3.015 5.425 10.782 1.00 0.00 N ATOM 1575 CA GLN A 103 1.688 5.700 10.206 1.00 0.00 C ATOM 1576 C GLN A 103 1.921 6.106 8.748 1.00 0.00 C ATOM 1577 O GLN A 103 1.534 7.164 8.290 1.00 0.00 O ATOM 1578 CB GLN A 103 1.016 6.803 11.009 1.00 0.00 C ATOM 1579 CG GLN A 103 0.117 6.189 12.090 1.00 0.00 C ATOM 1580 CD GLN A 103 -1.103 5.529 11.437 1.00 0.00 C ATOM 1581 OE1 GLN A 103 -1.146 5.394 10.138 1.00 0.00 O flip ATOM 1582 NE2 GLN A 103 -2.027 5.132 12.117 1.00 0.00 N flip ATOM 0 H GLN A 103 3.078 4.564 11.325 1.00 0.00 H new ATOM 0 HA GLN A 103 1.028 4.833 10.242 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.771 7.440 11.470 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.424 7.437 10.348 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.676 5.452 12.666 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.206 6.961 12.789 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.996 5.236 13.131 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -2.835 4.694 11.674 1.00 0.00 H new ATOM 1591 N LYS A 104 2.590 5.232 8.052 1.00 0.00 N ATOM 1592 CA LYS A 104 2.942 5.427 6.640 1.00 0.00 C ATOM 1593 C LYS A 104 3.796 6.695 6.499 1.00 0.00 C ATOM 1594 O LYS A 104 5.007 6.623 6.552 1.00 0.00 O ATOM 1595 CB LYS A 104 1.644 5.452 5.837 1.00 0.00 C ATOM 1596 CG LYS A 104 1.864 5.990 4.419 1.00 0.00 C ATOM 1597 CD LYS A 104 3.091 5.303 3.793 1.00 0.00 C ATOM 1598 CE LYS A 104 3.074 5.501 2.278 1.00 0.00 C ATOM 1599 NZ LYS A 104 4.251 4.814 1.674 1.00 0.00 N ATOM 0 H LYS A 104 2.919 4.347 8.437 1.00 0.00 H new ATOM 0 HA LYS A 104 3.553 4.615 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 104 1.230 4.445 5.784 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.910 6.072 6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.980 5.807 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.013 7.069 4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.007 5.719 4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.085 4.239 4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.151 5.101 1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.098 6.564 2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.240 4.948 0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.126 5.216 2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.209 3.798 1.891 1.00 0.00 H new ATOM 1613 N TYR A 105 3.208 7.844 6.342 1.00 0.00 N ATOM 1614 CA TYR A 105 4.028 9.093 6.219 1.00 0.00 C ATOM 1615 C TYR A 105 3.274 10.229 6.914 1.00 0.00 C ATOM 1616 O TYR A 105 3.521 11.393 6.675 1.00 0.00 O ATOM 1617 CB TYR A 105 4.258 9.435 4.721 1.00 0.00 C ATOM 1618 CG TYR A 105 5.736 9.418 4.380 1.00 0.00 C ATOM 1619 CD1 TYR A 105 6.428 8.204 4.309 1.00 0.00 C ATOM 1620 CD2 TYR A 105 6.412 10.622 4.135 1.00 0.00 C ATOM 1621 CE1 TYR A 105 7.790 8.192 3.996 1.00 0.00 C ATOM 1622 CE2 TYR A 105 7.774 10.611 3.821 1.00 0.00 C ATOM 1623 CZ TYR A 105 8.464 9.395 3.751 1.00 0.00 C ATOM 1624 OH TYR A 105 9.809 9.384 3.443 1.00 0.00 O ATOM 0 H TYR A 105 2.198 7.980 6.293 1.00 0.00 H new ATOM 0 HA TYR A 105 5.002 8.952 6.687 1.00 0.00 H new ATOM 0 HB2 TYR A 105 3.728 8.717 4.095 1.00 0.00 H new ATOM 0 HB3 TYR A 105 3.842 10.418 4.501 1.00 0.00 H new ATOM 0 HD1 TYR A 105 5.909 7.275 4.496 1.00 0.00 H new ATOM 0 HD2 TYR A 105 5.879 11.560 4.189 1.00 0.00 H new ATOM 0 HE1 TYR A 105 8.323 7.254 3.943 1.00 0.00 H new ATOM 0 HE2 TYR A 105 8.293 11.539 3.633 1.00 0.00 H new ATOM 0 HH TYR A 105 10.120 10.303 3.302 1.00 0.00 H new ATOM 1634 N GLY A 106 2.345 9.892 7.762 1.00 0.00 N ATOM 1635 CA GLY A 106 1.559 10.944 8.462 1.00 0.00 C ATOM 1636 C GLY A 106 0.959 10.368 9.745 1.00 0.00 C ATOM 1637 O GLY A 106 1.723 10.057 10.645 1.00 0.00 O ATOM 1638 OXT GLY A 106 -0.253 10.248 9.807 1.00 0.00 O ATOM 0 H GLY A 106 2.095 8.932 8.001 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.199 11.794 8.698 1.00 0.00 H new ATOM 0 HA3 GLY A 106 0.766 11.313 7.811 1.00 0.00 H new TER 1642 GLY A 106