USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 935 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 70 THR OG1 : rot -47:sc= 0.0788 USER MOD Set 1.2: A 133 SER OG : rot 140:sc= 0 USER MOD Set 2.1: A 50 ASN : amide:sc= -2.24 K(o=-14,f=-16!) USER MOD Set 2.2: A 81 ASN : amide:sc= -8.49! C(o=-14!,f=-16!) USER MOD Set 2.3: A 124 GLN : amide:sc= -2.91 K(o=-14,f=-19!) USER MOD Set 3.1: A 61 THR OG1 : rot 180:sc= -0.102 USER MOD Set 3.2: A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 100:sc= -0.516 USER MOD Single : A 21 THR OG1 : rot -27:sc= -1.82! USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0872 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 0:sc= 0.803! USER MOD Single : A 40 SER OG : rot -29:sc= -4.01! USER MOD Single : A 42 GLN : amide:sc= -2! C(o=-2!,f=-1.5!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 103:sc= 0.0828 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -1.43 USER MOD Single : A 64 TYR OH : rot 0:sc= -0.558 USER MOD Single : A 65 THR OG1 : rot 170:sc= -1.33 USER MOD Single : A 67 THR OG1 : rot 140:sc= -2.25! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -3.05! C(o=-3!,f=-2.8!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -112:sc= 0.119 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 97 SER OG : rot 180:sc= -0.02 USER MOD Single : A 101 GLN :FLIP amide:sc= -0.135 F(o=-0.83,f=-0.14) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.363 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 69:sc= 0.46 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 112 TYR OH : rot 6:sc= -5.12! USER MOD Single : A 128 GLN : amide:sc= -0.39 K(o=-0.39,f=-3.7!) USER MOD Single : A 138 THR OG1 : rot -70:sc= 0.412 USER MOD Single : A 148 SER OG : rot -47:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 24 N PRO A 3 -9.135 7.304 8.075 1.00 0.00 N ATOM 25 CA PRO A 3 -8.218 6.752 7.053 1.00 0.00 C ATOM 26 C PRO A 3 -6.906 6.310 7.706 1.00 0.00 C ATOM 27 O PRO A 3 -6.854 6.025 8.886 1.00 0.00 O ATOM 28 CB PRO A 3 -7.993 7.929 6.106 1.00 0.00 C ATOM 29 CG PRO A 3 -8.244 9.152 6.929 1.00 0.00 C ATOM 30 CD PRO A 3 -9.195 8.767 8.033 1.00 0.00 C ATOM 0 HA PRO A 3 -8.613 5.874 6.542 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.978 7.925 5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.671 7.883 5.253 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.311 9.534 7.343 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.670 9.946 6.316 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.895 9.204 8.985 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.206 9.117 7.826 1.00 0.00 H new ATOM 38 N ILE A 4 -5.847 6.250 6.950 1.00 0.00 N ATOM 39 CA ILE A 4 -4.539 5.825 7.528 1.00 0.00 C ATOM 40 C ILE A 4 -3.722 7.052 7.942 1.00 0.00 C ATOM 41 O ILE A 4 -2.734 6.944 8.642 1.00 0.00 O ATOM 42 CB ILE A 4 -3.836 5.069 6.400 1.00 0.00 C ATOM 43 CG1 ILE A 4 -3.370 6.063 5.334 1.00 0.00 C ATOM 44 CG2 ILE A 4 -4.809 4.069 5.772 1.00 0.00 C ATOM 45 CD1 ILE A 4 -2.823 5.300 4.127 1.00 0.00 C ATOM 0 H ILE A 4 -5.829 6.477 5.956 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.660 5.208 8.419 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.975 4.535 6.802 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.200 6.700 5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.600 6.717 5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.308 3.530 4.968 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.143 3.361 6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.670 4.603 5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.491 6.009 3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.981 4.682 4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.606 4.665 3.713 1.00 0.00 H new ATOM 57 N GLY A 5 -4.125 8.216 7.514 1.00 0.00 N ATOM 58 CA GLY A 5 -3.371 9.448 7.881 1.00 0.00 C ATOM 59 C GLY A 5 -3.392 10.427 6.707 1.00 0.00 C ATOM 60 O GLY A 5 -3.279 11.624 6.881 1.00 0.00 O ATOM 0 H GLY A 5 -4.944 8.368 6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.816 9.911 8.762 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.343 9.195 8.139 1.00 0.00 H new ATOM 64 N GLU A 6 -3.538 9.927 5.510 1.00 0.00 N ATOM 65 CA GLU A 6 -3.568 10.828 4.323 1.00 0.00 C ATOM 66 C GLU A 6 -2.319 11.714 4.298 1.00 0.00 C ATOM 67 O GLU A 6 -2.392 12.911 4.491 1.00 0.00 O ATOM 68 CB GLU A 6 -4.825 11.680 4.504 1.00 0.00 C ATOM 69 CG GLU A 6 -5.959 11.103 3.655 1.00 0.00 C ATOM 70 CD GLU A 6 -7.251 11.870 3.941 1.00 0.00 C ATOM 71 OE1 GLU A 6 -7.351 13.006 3.507 1.00 0.00 O ATOM 72 OE2 GLU A 6 -8.119 11.309 4.590 1.00 0.00 O ATOM 0 H GLU A 6 -3.638 8.933 5.303 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.582 10.273 3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.116 11.699 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.624 12.710 4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.708 11.174 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.094 10.045 3.880 1.00 0.00 H new ATOM 79 N GLY A 7 -1.174 11.134 4.061 1.00 0.00 N ATOM 80 CA GLY A 7 0.076 11.945 4.023 1.00 0.00 C ATOM 81 C GLY A 7 1.289 11.016 3.976 1.00 0.00 C ATOM 82 O GLY A 7 1.180 9.851 3.649 1.00 0.00 O ATOM 0 H GLY A 7 -1.050 10.136 3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.071 12.598 3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.131 12.588 4.902 1.00 0.00 H new ATOM 86 N THR A 8 2.448 11.522 4.301 1.00 0.00 N ATOM 87 CA THR A 8 3.669 10.668 4.274 1.00 0.00 C ATOM 88 C THR A 8 3.885 10.010 5.640 1.00 0.00 C ATOM 89 O THR A 8 3.022 10.032 6.494 1.00 0.00 O ATOM 90 CB THR A 8 4.818 11.626 3.953 1.00 0.00 C ATOM 91 OG1 THR A 8 5.134 12.387 5.110 1.00 0.00 O ATOM 92 CG2 THR A 8 4.403 12.565 2.819 1.00 0.00 C ATOM 0 H THR A 8 2.602 12.490 4.584 1.00 0.00 H new ATOM 0 HA THR A 8 3.593 9.864 3.542 1.00 0.00 H new ATOM 0 HB THR A 8 5.692 11.054 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.871 13.000 4.907 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.223 13.246 2.592 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.162 11.980 1.932 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.528 13.139 3.124 1.00 0.00 H new ATOM 100 N PHE A 9 5.033 9.426 5.852 1.00 0.00 N ATOM 101 CA PHE A 9 5.304 8.768 7.162 1.00 0.00 C ATOM 102 C PHE A 9 6.220 9.650 8.015 1.00 0.00 C ATOM 103 O PHE A 9 7.214 9.197 8.547 1.00 0.00 O ATOM 104 CB PHE A 9 6.002 7.455 6.808 1.00 0.00 C ATOM 105 CG PHE A 9 5.032 6.547 6.091 1.00 0.00 C ATOM 106 CD1 PHE A 9 3.833 6.175 6.711 1.00 0.00 C ATOM 107 CD2 PHE A 9 5.331 6.076 4.807 1.00 0.00 C ATOM 108 CE1 PHE A 9 2.933 5.333 6.047 1.00 0.00 C ATOM 109 CE2 PHE A 9 4.431 5.234 4.143 1.00 0.00 C ATOM 110 CZ PHE A 9 3.232 4.863 4.763 1.00 0.00 C ATOM 0 H PHE A 9 5.794 9.376 5.175 1.00 0.00 H new ATOM 0 HA PHE A 9 4.394 8.603 7.739 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.869 7.650 6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 9 6.369 6.971 7.713 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.602 6.538 7.702 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.256 6.362 4.329 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.008 5.046 6.525 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.662 4.871 3.152 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.537 4.214 4.250 1.00 0.00 H new ATOM 120 N ASP A 10 5.893 10.906 8.149 1.00 0.00 N ATOM 121 CA ASP A 10 6.746 11.815 8.968 1.00 0.00 C ATOM 122 C ASP A 10 6.357 11.718 10.446 1.00 0.00 C ATOM 123 O ASP A 10 6.239 12.716 11.127 1.00 0.00 O ATOM 124 CB ASP A 10 6.461 13.218 8.429 1.00 0.00 C ATOM 125 CG ASP A 10 4.976 13.541 8.606 1.00 0.00 C ATOM 126 OD1 ASP A 10 4.470 13.331 9.696 1.00 0.00 O ATOM 127 OD2 ASP A 10 4.370 13.992 7.648 1.00 0.00 O ATOM 0 H ASP A 10 5.073 11.342 7.728 1.00 0.00 H new ATOM 0 HA ASP A 10 7.804 11.560 8.901 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.069 13.952 8.957 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.734 13.277 7.375 1.00 0.00 H new ATOM 132 N ASP A 11 6.165 10.519 10.938 1.00 0.00 N ATOM 133 CA ASP A 11 5.783 10.323 12.375 1.00 0.00 C ATOM 134 C ASP A 11 5.191 8.922 12.563 1.00 0.00 C ATOM 135 O ASP A 11 3.991 8.750 12.642 1.00 0.00 O ATOM 136 CB ASP A 11 4.724 11.394 12.680 1.00 0.00 C ATOM 137 CG ASP A 11 3.906 10.985 13.909 1.00 0.00 C ATOM 138 OD1 ASP A 11 4.388 10.163 14.671 1.00 0.00 O ATOM 139 OD2 ASP A 11 2.812 11.502 14.067 1.00 0.00 O ATOM 0 H ASP A 11 6.257 9.657 10.401 1.00 0.00 H new ATOM 0 HA ASP A 11 6.641 10.414 13.041 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.207 12.355 12.857 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.066 11.522 11.821 1.00 0.00 H new ATOM 144 N GLY A 12 6.024 7.921 12.635 1.00 0.00 N ATOM 145 CA GLY A 12 5.510 6.534 12.820 1.00 0.00 C ATOM 146 C GLY A 12 4.805 6.073 11.542 1.00 0.00 C ATOM 147 O GLY A 12 4.136 6.847 10.887 1.00 0.00 O ATOM 0 H GLY A 12 7.039 8.003 12.574 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.332 5.859 13.057 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.818 6.501 13.661 1.00 0.00 H new ATOM 151 N PRO A 13 4.982 4.817 11.233 1.00 0.00 N ATOM 152 CA PRO A 13 4.356 4.233 10.023 1.00 0.00 C ATOM 153 C PRO A 13 2.860 3.989 10.252 1.00 0.00 C ATOM 154 O PRO A 13 2.175 3.450 9.407 1.00 0.00 O ATOM 155 CB PRO A 13 5.096 2.911 9.841 1.00 0.00 C ATOM 156 CG PRO A 13 5.595 2.550 11.205 1.00 0.00 C ATOM 157 CD PRO A 13 5.777 3.834 11.976 1.00 0.00 C ATOM 0 HA PRO A 13 4.427 4.883 9.151 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.434 2.140 9.447 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.920 3.015 9.135 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.886 1.896 11.712 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.538 2.007 11.137 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.427 3.734 13.004 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.826 4.125 12.023 1.00 0.00 H new ATOM 165 N GLU A 14 2.350 4.381 11.390 1.00 0.00 N ATOM 166 CA GLU A 14 0.900 4.172 11.677 1.00 0.00 C ATOM 167 C GLU A 14 0.596 2.678 11.816 1.00 0.00 C ATOM 168 O GLU A 14 0.570 2.141 12.906 1.00 0.00 O ATOM 169 CB GLU A 14 0.157 4.772 10.480 1.00 0.00 C ATOM 170 CG GLU A 14 -0.627 6.005 10.935 1.00 0.00 C ATOM 171 CD GLU A 14 -0.489 7.113 9.889 1.00 0.00 C ATOM 172 OE1 GLU A 14 0.255 6.917 8.943 1.00 0.00 O ATOM 173 OE2 GLU A 14 -1.131 8.137 10.052 1.00 0.00 O ATOM 0 H GLU A 14 2.876 4.838 12.135 1.00 0.00 H new ATOM 0 HA GLU A 14 0.596 4.642 12.612 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.865 5.046 9.698 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.521 4.034 10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.678 5.750 11.074 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.253 6.351 11.899 1.00 0.00 H new ATOM 180 N GLY A 15 0.362 2.001 10.726 1.00 0.00 N ATOM 181 CA GLY A 15 0.057 0.543 10.809 1.00 0.00 C ATOM 182 C GLY A 15 0.724 -0.195 9.646 1.00 0.00 C ATOM 183 O GLY A 15 0.488 -1.366 9.426 1.00 0.00 O ATOM 0 H GLY A 15 0.368 2.392 9.784 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.413 0.142 11.758 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.021 0.386 10.781 1.00 0.00 H new ATOM 187 N TRP A 16 1.555 0.479 8.898 1.00 0.00 N ATOM 188 CA TRP A 16 2.232 -0.189 7.749 1.00 0.00 C ATOM 189 C TRP A 16 3.154 -1.303 8.248 1.00 0.00 C ATOM 190 O TRP A 16 3.940 -1.113 9.154 1.00 0.00 O ATOM 191 CB TRP A 16 3.046 0.916 7.076 1.00 0.00 C ATOM 192 CG TRP A 16 2.205 1.592 6.044 1.00 0.00 C ATOM 193 CD1 TRP A 16 1.501 2.730 6.240 1.00 0.00 C ATOM 194 CD2 TRP A 16 1.964 1.193 4.664 1.00 0.00 C ATOM 195 NE1 TRP A 16 0.844 3.056 5.069 1.00 0.00 N ATOM 196 CE2 TRP A 16 1.098 2.139 4.067 1.00 0.00 C ATOM 197 CE3 TRP A 16 2.409 0.114 3.879 1.00 0.00 C ATOM 198 CZ2 TRP A 16 0.687 2.018 2.739 1.00 0.00 C ATOM 199 CZ3 TRP A 16 1.998 -0.011 2.542 1.00 0.00 C ATOM 200 CH2 TRP A 16 1.139 0.939 1.974 1.00 0.00 C ATOM 0 H TRP A 16 1.794 1.461 9.032 1.00 0.00 H new ATOM 0 HA TRP A 16 1.521 -0.651 7.064 1.00 0.00 H new ATOM 0 HB2 TRP A 16 3.382 1.640 7.819 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.939 0.495 6.615 1.00 0.00 H new ATOM 0 HD1 TRP A 16 1.459 3.292 7.161 1.00 0.00 H new ATOM 0 HE1 TRP A 16 0.245 3.874 4.958 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.071 -0.624 4.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 0.025 2.753 2.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.346 -0.844 1.949 1.00 0.00 H new ATOM 0 HH2 TRP A 16 0.826 0.838 0.945 1.00 0.00 H new ATOM 211 N VAL A 17 3.068 -2.465 7.658 1.00 0.00 N ATOM 212 CA VAL A 17 3.947 -3.588 8.097 1.00 0.00 C ATOM 213 C VAL A 17 4.567 -4.270 6.875 1.00 0.00 C ATOM 214 O VAL A 17 4.012 -4.250 5.797 1.00 0.00 O ATOM 215 CB VAL A 17 3.033 -4.566 8.864 1.00 0.00 C ATOM 216 CG1 VAL A 17 1.952 -3.790 9.623 1.00 0.00 C ATOM 217 CG2 VAL A 17 2.364 -5.543 7.887 1.00 0.00 C ATOM 0 H VAL A 17 2.430 -2.685 6.894 1.00 0.00 H new ATOM 0 HA VAL A 17 4.767 -3.243 8.726 1.00 0.00 H new ATOM 0 HB VAL A 17 3.643 -5.126 9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.312 -4.489 10.161 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.423 -3.110 10.332 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.351 -3.218 8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.722 -6.228 8.440 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.765 -4.985 7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.130 -6.111 7.359 1.00 0.00 H new ATOM 227 N ALA A 18 5.704 -4.883 7.040 1.00 0.00 N ATOM 228 CA ALA A 18 6.349 -5.578 5.891 1.00 0.00 C ATOM 229 C ALA A 18 6.936 -6.909 6.368 1.00 0.00 C ATOM 230 O ALA A 18 7.486 -7.004 7.447 1.00 0.00 O ATOM 231 CB ALA A 18 7.444 -4.626 5.410 1.00 0.00 C ATOM 0 H ALA A 18 6.216 -4.933 7.921 1.00 0.00 H new ATOM 0 HA ALA A 18 5.651 -5.808 5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.966 -5.070 4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.996 -3.680 5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.152 -4.448 6.219 1.00 0.00 H new ATOM 237 N TYR A 19 6.802 -7.944 5.585 1.00 0.00 N ATOM 238 CA TYR A 19 7.330 -9.276 6.011 1.00 0.00 C ATOM 239 C TYR A 19 8.355 -9.811 5.004 1.00 0.00 C ATOM 240 O TYR A 19 8.231 -9.618 3.809 1.00 0.00 O ATOM 241 CB TYR A 19 6.101 -10.198 6.077 1.00 0.00 C ATOM 242 CG TYR A 19 5.088 -9.803 5.021 1.00 0.00 C ATOM 243 CD1 TYR A 19 5.202 -10.305 3.720 1.00 0.00 C ATOM 244 CD2 TYR A 19 4.038 -8.933 5.346 1.00 0.00 C ATOM 245 CE1 TYR A 19 4.269 -9.940 2.743 1.00 0.00 C ATOM 246 CE2 TYR A 19 3.104 -8.569 4.368 1.00 0.00 C ATOM 247 CZ TYR A 19 3.220 -9.072 3.067 1.00 0.00 C ATOM 248 OH TYR A 19 2.300 -8.712 2.103 1.00 0.00 O ATOM 0 H TYR A 19 6.351 -7.928 4.670 1.00 0.00 H new ATOM 0 HA TYR A 19 7.846 -9.215 6.969 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.407 -11.234 5.928 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.647 -10.139 7.066 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.011 -10.975 3.469 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.949 -8.544 6.350 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.358 -10.328 1.739 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.294 -7.900 4.618 1.00 0.00 H new ATOM 0 HH TYR A 19 1.487 -9.248 2.210 1.00 0.00 H new ATOM 258 N GLY A 20 9.369 -10.483 5.490 1.00 0.00 N ATOM 259 CA GLY A 20 10.419 -11.041 4.587 1.00 0.00 C ATOM 260 C GLY A 20 11.758 -10.367 4.898 1.00 0.00 C ATOM 261 O GLY A 20 12.158 -9.424 4.248 1.00 0.00 O ATOM 0 H GLY A 20 9.514 -10.670 6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.500 -12.119 4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.147 -10.873 3.545 1.00 0.00 H new ATOM 265 N THR A 21 12.447 -10.848 5.897 1.00 0.00 N ATOM 266 CA THR A 21 13.765 -10.249 6.274 1.00 0.00 C ATOM 267 C THR A 21 13.637 -8.734 6.462 1.00 0.00 C ATOM 268 O THR A 21 14.617 -8.016 6.455 1.00 0.00 O ATOM 269 CB THR A 21 14.715 -10.560 5.111 1.00 0.00 C ATOM 270 OG1 THR A 21 14.591 -9.552 4.121 1.00 0.00 O ATOM 271 CG2 THR A 21 14.379 -11.923 4.502 1.00 0.00 C ATOM 0 H THR A 21 12.153 -11.636 6.474 1.00 0.00 H new ATOM 0 HA THR A 21 14.131 -10.658 7.216 1.00 0.00 H new ATOM 0 HB THR A 21 15.739 -10.585 5.484 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.693 -9.161 4.163 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.061 -12.131 3.678 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.482 -12.697 5.263 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.354 -11.913 4.131 1.00 0.00 H new ATOM 279 N ASP A 22 12.442 -8.242 6.642 1.00 0.00 N ATOM 280 CA ASP A 22 12.263 -6.779 6.843 1.00 0.00 C ATOM 281 C ASP A 22 11.729 -6.507 8.252 1.00 0.00 C ATOM 282 O ASP A 22 10.538 -6.524 8.490 1.00 0.00 O ATOM 283 CB ASP A 22 11.241 -6.352 5.790 1.00 0.00 C ATOM 284 CG ASP A 22 10.097 -7.366 5.735 1.00 0.00 C ATOM 285 OD1 ASP A 22 9.772 -7.921 6.772 1.00 0.00 O ATOM 286 OD2 ASP A 22 9.565 -7.570 4.656 1.00 0.00 O ATOM 0 H ASP A 22 11.583 -8.791 6.658 1.00 0.00 H new ATOM 0 HA ASP A 22 13.199 -6.230 6.743 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.851 -5.363 6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.720 -6.278 4.814 1.00 0.00 H new ATOM 291 N GLY A 23 12.604 -6.261 9.189 1.00 0.00 N ATOM 292 CA GLY A 23 12.151 -5.993 10.584 1.00 0.00 C ATOM 293 C GLY A 23 11.246 -4.757 10.605 1.00 0.00 C ATOM 294 O GLY A 23 10.230 -4.723 9.940 1.00 0.00 O ATOM 0 H GLY A 23 13.614 -6.234 9.049 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.612 -6.857 10.974 1.00 0.00 H new ATOM 0 HA3 GLY A 23 13.013 -5.836 11.233 1.00 0.00 H new ATOM 298 N PRO A 24 11.646 -3.778 11.373 1.00 0.00 N ATOM 299 CA PRO A 24 10.855 -2.527 11.483 1.00 0.00 C ATOM 300 C PRO A 24 10.986 -1.696 10.204 1.00 0.00 C ATOM 301 O PRO A 24 12.020 -1.676 9.567 1.00 0.00 O ATOM 302 CB PRO A 24 11.488 -1.805 12.668 1.00 0.00 C ATOM 303 CG PRO A 24 12.885 -2.333 12.742 1.00 0.00 C ATOM 304 CD PRO A 24 12.855 -3.740 12.203 1.00 0.00 C ATOM 0 HA PRO A 24 9.789 -2.706 11.620 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.482 -0.725 12.521 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.941 -2.005 13.590 1.00 0.00 H new ATOM 0 HG2 PRO A 24 13.563 -1.711 12.158 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.247 -2.322 13.770 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.748 -3.962 11.618 1.00 0.00 H new ATOM 0 HD3 PRO A 24 12.810 -4.474 13.007 1.00 0.00 H new ATOM 312 N LEU A 25 9.944 -1.006 9.826 1.00 0.00 N ATOM 313 CA LEU A 25 10.008 -0.173 8.591 1.00 0.00 C ATOM 314 C LEU A 25 10.798 1.110 8.863 1.00 0.00 C ATOM 315 O LEU A 25 10.301 2.040 9.467 1.00 0.00 O ATOM 316 CB LEU A 25 8.551 0.153 8.260 1.00 0.00 C ATOM 317 CG LEU A 25 7.714 -1.126 8.319 1.00 0.00 C ATOM 318 CD1 LEU A 25 6.333 -0.861 7.715 1.00 0.00 C ATOM 319 CD2 LEU A 25 8.414 -2.229 7.523 1.00 0.00 C ATOM 0 H LEU A 25 9.051 -0.983 10.319 1.00 0.00 H new ATOM 0 HA LEU A 25 10.507 -0.686 7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.162 0.887 8.966 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.484 0.598 7.267 1.00 0.00 H new ATOM 0 HG LEU A 25 7.603 -1.440 9.357 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.737 -1.772 7.757 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.834 -0.074 8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.444 -0.548 6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.819 -3.141 7.564 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.525 -1.914 6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.398 -2.418 7.952 1.00 0.00 H new ATOM 331 N ASP A 26 12.026 1.168 8.423 1.00 0.00 N ATOM 332 CA ASP A 26 12.843 2.393 8.659 1.00 0.00 C ATOM 333 C ASP A 26 12.002 3.641 8.387 1.00 0.00 C ATOM 334 O ASP A 26 11.653 3.931 7.262 1.00 0.00 O ATOM 335 CB ASP A 26 14.001 2.296 7.665 1.00 0.00 C ATOM 336 CG ASP A 26 14.936 3.492 7.852 1.00 0.00 C ATOM 337 OD1 ASP A 26 15.089 3.929 8.980 1.00 0.00 O ATOM 338 OD2 ASP A 26 15.484 3.951 6.863 1.00 0.00 O ATOM 0 H ASP A 26 12.498 0.422 7.912 1.00 0.00 H new ATOM 0 HA ASP A 26 13.198 2.465 9.687 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.548 1.366 7.818 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.618 2.277 6.645 1.00 0.00 H new ATOM 343 N THR A 27 11.664 4.378 9.407 1.00 0.00 N ATOM 344 CA THR A 27 10.836 5.593 9.199 1.00 0.00 C ATOM 345 C THR A 27 11.587 6.842 9.667 1.00 0.00 C ATOM 346 O THR A 27 11.857 7.740 8.894 1.00 0.00 O ATOM 347 CB THR A 27 9.598 5.357 10.058 1.00 0.00 C ATOM 348 OG1 THR A 27 9.996 4.873 11.334 1.00 0.00 O ATOM 349 CG2 THR A 27 8.694 4.327 9.379 1.00 0.00 C ATOM 0 H THR A 27 11.926 4.190 10.375 1.00 0.00 H new ATOM 0 HA THR A 27 10.590 5.756 8.150 1.00 0.00 H new ATOM 0 HB THR A 27 9.053 6.293 10.177 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.202 4.722 11.889 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.809 4.158 9.993 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.391 4.698 8.400 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.237 3.389 9.259 1.00 0.00 H new ATOM 357 N SER A 28 11.925 6.910 10.925 1.00 0.00 N ATOM 358 CA SER A 28 12.655 8.106 11.433 1.00 0.00 C ATOM 359 C SER A 28 12.024 9.382 10.867 1.00 0.00 C ATOM 360 O SER A 28 12.708 10.326 10.526 1.00 0.00 O ATOM 361 CB SER A 28 14.086 7.944 10.923 1.00 0.00 C ATOM 362 OG SER A 28 14.656 6.772 11.491 1.00 0.00 O ATOM 0 H SER A 28 11.728 6.191 11.622 1.00 0.00 H new ATOM 0 HA SER A 28 12.619 8.185 12.520 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.091 7.875 9.835 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.681 8.818 11.190 1.00 0.00 H new ATOM 0 HG SER A 28 15.574 6.663 11.165 1.00 0.00 H new ATOM 368 N THR A 29 10.723 9.413 10.764 1.00 0.00 N ATOM 369 CA THR A 29 10.043 10.623 10.220 1.00 0.00 C ATOM 370 C THR A 29 10.710 11.066 8.915 1.00 0.00 C ATOM 371 O THR A 29 11.508 11.982 8.893 1.00 0.00 O ATOM 372 CB THR A 29 10.207 11.695 11.300 1.00 0.00 C ATOM 373 OG1 THR A 29 11.536 12.196 11.270 1.00 0.00 O ATOM 374 CG2 THR A 29 9.919 11.087 12.674 1.00 0.00 C ATOM 0 H THR A 29 10.101 8.651 11.034 1.00 0.00 H new ATOM 0 HA THR A 29 8.994 10.436 9.991 1.00 0.00 H new ATOM 0 HB THR A 29 9.507 12.510 11.113 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.040 11.743 10.562 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.036 11.852 13.442 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.899 10.704 12.696 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.617 10.271 12.864 1.00 0.00 H new ATOM 382 N GLY A 30 10.389 10.421 7.826 1.00 0.00 N ATOM 383 CA GLY A 30 11.003 10.803 6.523 1.00 0.00 C ATOM 384 C GLY A 30 10.544 9.826 5.439 1.00 0.00 C ATOM 385 O GLY A 30 9.846 10.192 4.514 1.00 0.00 O ATOM 0 H GLY A 30 9.728 9.646 7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.715 11.820 6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.090 10.790 6.603 1.00 0.00 H new ATOM 389 N ALA A 31 10.930 8.585 5.547 1.00 0.00 N ATOM 390 CA ALA A 31 10.516 7.582 4.525 1.00 0.00 C ATOM 391 C ALA A 31 10.412 6.194 5.163 1.00 0.00 C ATOM 392 O ALA A 31 11.091 5.892 6.125 1.00 0.00 O ATOM 393 CB ALA A 31 11.624 7.609 3.473 1.00 0.00 C ATOM 0 H ALA A 31 11.515 8.221 6.299 1.00 0.00 H new ATOM 0 HA ALA A 31 9.541 7.807 4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.393 6.895 2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.697 8.610 3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.573 7.342 3.937 1.00 0.00 H new ATOM 399 N LEU A 32 9.569 5.346 4.638 1.00 0.00 N ATOM 400 CA LEU A 32 9.429 3.982 5.224 1.00 0.00 C ATOM 401 C LEU A 32 10.121 2.946 4.335 1.00 0.00 C ATOM 402 O LEU A 32 9.541 2.441 3.396 1.00 0.00 O ATOM 403 CB LEU A 32 7.924 3.721 5.268 1.00 0.00 C ATOM 404 CG LEU A 32 7.673 2.271 5.682 1.00 0.00 C ATOM 405 CD1 LEU A 32 6.869 2.245 6.983 1.00 0.00 C ATOM 406 CD2 LEU A 32 6.887 1.554 4.582 1.00 0.00 C ATOM 0 H LEU A 32 8.974 5.538 3.832 1.00 0.00 H new ATOM 0 HA LEU A 32 9.887 3.912 6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.446 4.400 5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.481 3.914 4.291 1.00 0.00 H new ATOM 0 HG LEU A 32 8.627 1.766 5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.689 1.211 7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.429 2.755 7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.915 2.750 6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.708 0.520 4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.933 2.058 4.429 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.460 1.572 3.655 1.00 0.00 H new ATOM 418 N CYS A 33 11.352 2.621 4.624 1.00 0.00 N ATOM 419 CA CYS A 33 12.070 1.612 3.792 1.00 0.00 C ATOM 420 C CYS A 33 11.958 0.217 4.399 1.00 0.00 C ATOM 421 O CYS A 33 12.469 -0.052 5.469 1.00 0.00 O ATOM 422 CB CYS A 33 13.532 2.056 3.767 1.00 0.00 C ATOM 423 SG CYS A 33 13.885 2.858 2.185 1.00 0.00 S ATOM 0 H CYS A 33 11.891 3.009 5.398 1.00 0.00 H new ATOM 0 HA CYS A 33 11.642 1.556 2.791 1.00 0.00 H new ATOM 0 HB2 CYS A 33 13.729 2.744 4.589 1.00 0.00 H new ATOM 0 HB3 CYS A 33 14.188 1.197 3.907 1.00 0.00 H new ATOM 428 N VAL A 34 11.317 -0.682 3.707 1.00 0.00 N ATOM 429 CA VAL A 34 11.202 -2.071 4.225 1.00 0.00 C ATOM 430 C VAL A 34 12.405 -2.868 3.724 1.00 0.00 C ATOM 431 O VAL A 34 12.940 -2.586 2.669 1.00 0.00 O ATOM 432 CB VAL A 34 9.897 -2.620 3.647 1.00 0.00 C ATOM 433 CG1 VAL A 34 8.714 -1.898 4.293 1.00 0.00 C ATOM 434 CG2 VAL A 34 9.870 -2.393 2.134 1.00 0.00 C ATOM 0 H VAL A 34 10.869 -0.515 2.806 1.00 0.00 H new ATOM 0 HA VAL A 34 11.190 -2.126 5.314 1.00 0.00 H new ATOM 0 HB VAL A 34 9.829 -3.688 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.782 -2.287 3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.732 -2.061 5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.783 -0.830 4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.939 -2.785 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.938 -1.325 1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.714 -2.907 1.674 1.00 0.00 H new ATOM 444 N ALA A 35 12.851 -3.839 4.472 1.00 0.00 N ATOM 445 CA ALA A 35 14.043 -4.619 4.035 1.00 0.00 C ATOM 446 C ALA A 35 13.634 -5.809 3.169 1.00 0.00 C ATOM 447 O ALA A 35 13.351 -6.884 3.659 1.00 0.00 O ATOM 448 CB ALA A 35 14.695 -5.099 5.330 1.00 0.00 C ATOM 0 H ALA A 35 12.444 -4.125 5.363 1.00 0.00 H new ATOM 0 HA ALA A 35 14.720 -4.017 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.584 -5.684 5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.977 -4.238 5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.990 -5.718 5.885 1.00 0.00 H new ATOM 454 N VAL A 36 13.619 -5.624 1.881 1.00 0.00 N ATOM 455 CA VAL A 36 13.249 -6.738 0.970 1.00 0.00 C ATOM 456 C VAL A 36 14.512 -7.523 0.586 1.00 0.00 C ATOM 457 O VAL A 36 15.464 -6.959 0.086 1.00 0.00 O ATOM 458 CB VAL A 36 12.632 -6.046 -0.245 1.00 0.00 C ATOM 459 CG1 VAL A 36 12.293 -7.083 -1.309 1.00 0.00 C ATOM 460 CG2 VAL A 36 11.352 -5.319 0.178 1.00 0.00 C ATOM 0 H VAL A 36 13.848 -4.745 1.418 1.00 0.00 H new ATOM 0 HA VAL A 36 12.558 -7.453 1.417 1.00 0.00 H new ATOM 0 HB VAL A 36 13.345 -5.329 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.853 -6.586 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.201 -7.603 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.581 -7.802 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.911 -4.825 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.642 -6.039 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.590 -4.575 0.938 1.00 0.00 H new ATOM 470 N PRO A 37 14.483 -8.803 0.857 1.00 0.00 N ATOM 471 CA PRO A 37 15.649 -9.684 0.563 1.00 0.00 C ATOM 472 C PRO A 37 15.909 -9.812 -0.945 1.00 0.00 C ATOM 473 O PRO A 37 15.216 -9.236 -1.761 1.00 0.00 O ATOM 474 CB PRO A 37 15.243 -11.025 1.174 1.00 0.00 C ATOM 475 CG PRO A 37 13.750 -10.987 1.215 1.00 0.00 C ATOM 476 CD PRO A 37 13.371 -9.550 1.453 1.00 0.00 C ATOM 0 HA PRO A 37 16.581 -9.292 0.971 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.601 -11.859 0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.663 -11.149 2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.326 -11.351 0.279 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.366 -11.627 2.009 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.421 -9.301 0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.265 -9.333 2.516 1.00 0.00 H new ATOM 484 N ALA A 38 16.925 -10.556 -1.311 1.00 0.00 N ATOM 485 CA ALA A 38 17.269 -10.724 -2.757 1.00 0.00 C ATOM 486 C ALA A 38 16.138 -11.414 -3.520 1.00 0.00 C ATOM 487 O ALA A 38 15.697 -12.490 -3.166 1.00 0.00 O ATOM 488 CB ALA A 38 18.527 -11.591 -2.768 1.00 0.00 C ATOM 0 H ALA A 38 17.535 -11.057 -0.665 1.00 0.00 H new ATOM 0 HA ALA A 38 17.424 -9.762 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.843 -11.760 -3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.323 -11.084 -2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.313 -12.548 -2.292 1.00 0.00 H new ATOM 494 N GLY A 39 15.676 -10.792 -4.572 1.00 0.00 N ATOM 495 CA GLY A 39 14.576 -11.378 -5.392 1.00 0.00 C ATOM 496 C GLY A 39 13.561 -12.077 -4.492 1.00 0.00 C ATOM 497 O GLY A 39 12.911 -13.013 -4.910 1.00 0.00 O ATOM 0 H GLY A 39 16.019 -9.890 -4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.084 -10.593 -5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.987 -12.089 -6.109 1.00 0.00 H new ATOM 501 N SER A 40 13.424 -11.627 -3.264 1.00 0.00 N ATOM 502 CA SER A 40 12.454 -12.262 -2.316 1.00 0.00 C ATOM 503 C SER A 40 12.264 -13.738 -2.657 1.00 0.00 C ATOM 504 O SER A 40 11.162 -14.205 -2.866 1.00 0.00 O ATOM 505 CB SER A 40 11.145 -11.502 -2.502 1.00 0.00 C ATOM 506 OG SER A 40 10.092 -12.250 -1.913 1.00 0.00 O ATOM 0 H SER A 40 13.947 -10.841 -2.877 1.00 0.00 H new ATOM 0 HA SER A 40 12.807 -12.215 -1.286 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.212 -10.517 -2.040 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.948 -11.344 -3.562 1.00 0.00 H new ATOM 0 HG SER A 40 10.309 -13.205 -1.950 1.00 0.00 H new ATOM 512 N ALA A 41 13.337 -14.467 -2.734 1.00 0.00 N ATOM 513 CA ALA A 41 13.230 -15.911 -3.085 1.00 0.00 C ATOM 514 C ALA A 41 13.024 -16.744 -1.825 1.00 0.00 C ATOM 515 O ALA A 41 13.883 -16.810 -0.978 1.00 0.00 O ATOM 516 CB ALA A 41 14.561 -16.261 -3.746 1.00 0.00 C ATOM 0 H ALA A 41 14.285 -14.128 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 41 12.385 -16.113 -3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 41 14.559 -17.312 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 41 14.701 -15.642 -4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 41 15.375 -16.078 -3.044 1.00 0.00 H new ATOM 522 N GLN A 42 11.873 -17.361 -1.720 1.00 0.00 N ATOM 523 CA GLN A 42 11.517 -18.210 -0.527 1.00 0.00 C ATOM 524 C GLN A 42 10.973 -17.316 0.579 1.00 0.00 C ATOM 525 O GLN A 42 11.148 -17.581 1.752 1.00 0.00 O ATOM 526 CB GLN A 42 12.808 -18.925 -0.058 1.00 0.00 C ATOM 527 CG GLN A 42 13.523 -18.127 1.060 1.00 0.00 C ATOM 528 CD GLN A 42 15.037 -18.277 0.905 1.00 0.00 C ATOM 529 OE1 GLN A 42 15.709 -17.362 0.474 1.00 0.00 O ATOM 530 NE2 GLN A 42 15.606 -19.402 1.243 1.00 0.00 N ATOM 0 H GLN A 42 11.141 -17.313 -2.429 1.00 0.00 H new ATOM 0 HA GLN A 42 10.755 -18.947 -0.781 1.00 0.00 H new ATOM 0 HB2 GLN A 42 12.561 -19.922 0.306 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.483 -19.052 -0.904 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.244 -17.075 1.006 1.00 0.00 H new ATOM 0 HG3 GLN A 42 13.209 -18.490 2.039 1.00 0.00 H new ATOM 0 HE21 GLN A 42 15.041 -20.170 1.605 1.00 0.00 H new ATOM 0 HE22 GLN A 42 16.615 -19.513 1.145 1.00 0.00 H new ATOM 539 N TYR A 43 10.346 -16.240 0.225 1.00 0.00 N ATOM 540 CA TYR A 43 9.849 -15.330 1.282 1.00 0.00 C ATOM 541 C TYR A 43 8.589 -14.586 0.870 1.00 0.00 C ATOM 542 O TYR A 43 7.764 -14.258 1.700 1.00 0.00 O ATOM 543 CB TYR A 43 10.985 -14.332 1.459 1.00 0.00 C ATOM 544 CG TYR A 43 11.456 -14.365 2.880 1.00 0.00 C ATOM 545 CD1 TYR A 43 10.527 -14.303 3.920 1.00 0.00 C ATOM 546 CD2 TYR A 43 12.819 -14.460 3.157 1.00 0.00 C ATOM 547 CE1 TYR A 43 10.962 -14.335 5.244 1.00 0.00 C ATOM 548 CE2 TYR A 43 13.259 -14.493 4.480 1.00 0.00 C ATOM 549 CZ TYR A 43 12.331 -14.430 5.528 1.00 0.00 C ATOM 550 OH TYR A 43 12.764 -14.463 6.838 1.00 0.00 O ATOM 0 H TYR A 43 10.157 -15.952 -0.735 1.00 0.00 H new ATOM 0 HA TYR A 43 9.586 -15.881 2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.807 -14.576 0.786 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.647 -13.329 1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.472 -14.230 3.699 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.533 -14.508 2.348 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.245 -14.287 6.050 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.314 -14.567 4.697 1.00 0.00 H new ATOM 0 HH TYR A 43 13.741 -14.532 6.858 1.00 0.00 H new ATOM 560 N GLY A 44 8.441 -14.257 -0.379 1.00 0.00 N ATOM 561 CA GLY A 44 7.242 -13.471 -0.758 1.00 0.00 C ATOM 562 C GLY A 44 7.228 -12.262 0.174 1.00 0.00 C ATOM 563 O GLY A 44 6.543 -12.245 1.177 1.00 0.00 O ATOM 0 H GLY A 44 9.082 -14.492 -1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.292 -13.160 -1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.334 -14.063 -0.645 1.00 0.00 H new ATOM 567 N VAL A 45 8.017 -11.269 -0.127 1.00 0.00 N ATOM 568 CA VAL A 45 8.094 -10.086 0.761 1.00 0.00 C ATOM 569 C VAL A 45 7.020 -9.097 0.359 1.00 0.00 C ATOM 570 O VAL A 45 6.886 -8.764 -0.792 1.00 0.00 O ATOM 571 CB VAL A 45 9.488 -9.492 0.518 1.00 0.00 C ATOM 572 CG1 VAL A 45 9.831 -8.523 1.651 1.00 0.00 C ATOM 573 CG2 VAL A 45 10.549 -10.606 0.468 1.00 0.00 C ATOM 0 H VAL A 45 8.613 -11.230 -0.954 1.00 0.00 H new ATOM 0 HA VAL A 45 7.943 -10.334 1.812 1.00 0.00 H new ATOM 0 HB VAL A 45 9.482 -8.966 -0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.821 -8.100 1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.093 -7.721 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.823 -9.057 2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.531 -10.166 0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.555 -11.145 1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.313 -11.297 -0.342 1.00 0.00 H new ATOM 583 N GLY A 46 6.242 -8.638 1.290 1.00 0.00 N ATOM 584 CA GLY A 46 5.165 -7.680 0.923 1.00 0.00 C ATOM 585 C GLY A 46 4.788 -6.825 2.129 1.00 0.00 C ATOM 586 O GLY A 46 4.989 -7.207 3.264 1.00 0.00 O ATOM 0 H GLY A 46 6.301 -8.879 2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.499 -7.041 0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.291 -8.224 0.566 1.00 0.00 H new ATOM 590 N VAL A 47 4.237 -5.669 1.889 1.00 0.00 N ATOM 591 CA VAL A 47 3.839 -4.784 3.016 1.00 0.00 C ATOM 592 C VAL A 47 2.312 -4.661 3.065 1.00 0.00 C ATOM 593 O VAL A 47 1.672 -4.364 2.077 1.00 0.00 O ATOM 594 CB VAL A 47 4.488 -3.436 2.701 1.00 0.00 C ATOM 595 CG1 VAL A 47 4.404 -2.528 3.926 1.00 0.00 C ATOM 596 CG2 VAL A 47 5.958 -3.654 2.336 1.00 0.00 C ATOM 0 H VAL A 47 4.045 -5.299 0.958 1.00 0.00 H new ATOM 0 HA VAL A 47 4.156 -5.166 3.986 1.00 0.00 H new ATOM 0 HB VAL A 47 3.966 -2.970 1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.867 -1.568 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.359 -2.373 4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.926 -2.995 4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.423 -2.694 2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.476 -4.120 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.024 -4.303 1.463 1.00 0.00 H new ATOM 606 N VAL A 48 1.721 -4.896 4.203 1.00 0.00 N ATOM 607 CA VAL A 48 0.235 -4.799 4.299 1.00 0.00 C ATOM 608 C VAL A 48 -0.171 -3.736 5.324 1.00 0.00 C ATOM 609 O VAL A 48 0.394 -3.644 6.396 1.00 0.00 O ATOM 610 CB VAL A 48 -0.221 -6.186 4.751 1.00 0.00 C ATOM 611 CG1 VAL A 48 0.122 -7.214 3.672 1.00 0.00 C ATOM 612 CG2 VAL A 48 0.493 -6.560 6.052 1.00 0.00 C ATOM 0 H VAL A 48 2.198 -5.150 5.068 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.219 -4.506 3.352 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.298 -6.176 4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.203 -8.203 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.385 -6.950 2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.199 -7.223 3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.168 -7.549 6.374 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.570 -6.568 5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.250 -5.829 6.823 1.00 0.00 H new ATOM 622 N LEU A 49 -1.150 -2.934 5.001 1.00 0.00 N ATOM 623 CA LEU A 49 -1.596 -1.877 5.955 1.00 0.00 C ATOM 624 C LEU A 49 -3.119 -1.909 6.105 1.00 0.00 C ATOM 625 O LEU A 49 -3.842 -1.356 5.300 1.00 0.00 O ATOM 626 CB LEU A 49 -1.149 -0.557 5.327 1.00 0.00 C ATOM 627 CG LEU A 49 -1.732 0.610 6.126 1.00 0.00 C ATOM 628 CD1 LEU A 49 -0.899 0.828 7.390 1.00 0.00 C ATOM 629 CD2 LEU A 49 -1.702 1.878 5.270 1.00 0.00 C ATOM 0 H LEU A 49 -1.660 -2.965 4.118 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.174 -2.017 6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.061 -0.497 5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.481 -0.504 4.290 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.761 0.383 6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.314 1.659 7.960 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.919 -0.076 7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.130 1.056 7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.117 2.710 5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.673 2.105 4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.295 1.723 4.369 1.00 0.00 H new ATOM 641 N ASN A 50 -3.612 -2.550 7.130 1.00 0.00 N ATOM 642 CA ASN A 50 -5.088 -2.617 7.331 1.00 0.00 C ATOM 643 C ASN A 50 -5.617 -1.281 7.857 1.00 0.00 C ATOM 644 O ASN A 50 -4.947 -0.583 8.593 1.00 0.00 O ATOM 645 CB ASN A 50 -5.296 -3.720 8.370 1.00 0.00 C ATOM 646 CG ASN A 50 -5.226 -5.086 7.686 1.00 0.00 C ATOM 647 OD1 ASN A 50 -6.165 -5.504 7.039 1.00 0.00 O ATOM 648 ND2 ASN A 50 -4.143 -5.806 7.803 1.00 0.00 N ATOM 0 H ASN A 50 -3.056 -3.031 7.837 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.620 -2.823 6.402 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.534 -3.651 9.146 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.262 -3.596 8.859 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.086 -6.719 7.351 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.354 -5.456 8.346 1.00 0.00 H new ATOM 655 N GLY A 51 -6.817 -0.919 7.489 1.00 0.00 N ATOM 656 CA GLY A 51 -7.387 0.369 7.973 1.00 0.00 C ATOM 657 C GLY A 51 -7.813 1.228 6.780 1.00 0.00 C ATOM 658 O GLY A 51 -7.290 2.303 6.560 1.00 0.00 O ATOM 0 H GLY A 51 -7.426 -1.460 6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.243 0.178 8.620 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.648 0.902 8.571 1.00 0.00 H new ATOM 662 N VAL A 52 -8.761 0.768 6.010 1.00 0.00 N ATOM 663 CA VAL A 52 -9.219 1.568 4.835 1.00 0.00 C ATOM 664 C VAL A 52 -10.708 1.900 4.970 1.00 0.00 C ATOM 665 O VAL A 52 -11.436 1.242 5.686 1.00 0.00 O ATOM 666 CB VAL A 52 -8.975 0.671 3.622 1.00 0.00 C ATOM 667 CG1 VAL A 52 -9.688 1.256 2.402 1.00 0.00 C ATOM 668 CG2 VAL A 52 -7.473 0.593 3.341 1.00 0.00 C ATOM 0 H VAL A 52 -9.238 -0.124 6.142 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.689 2.517 4.750 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.362 -0.327 3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.514 0.616 1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.758 1.315 2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.301 2.254 2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.297 -0.047 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.089 1.592 3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.962 0.177 4.209 1.00 0.00 H new ATOM 678 N ALA A 53 -11.165 2.918 4.293 1.00 0.00 N ATOM 679 CA ALA A 53 -12.606 3.290 4.393 1.00 0.00 C ATOM 680 C ALA A 53 -13.232 3.412 2.999 1.00 0.00 C ATOM 681 O ALA A 53 -13.390 4.495 2.472 1.00 0.00 O ATOM 682 CB ALA A 53 -12.615 4.644 5.104 1.00 0.00 C ATOM 0 H ALA A 53 -10.605 3.507 3.677 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.185 2.539 4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.643 4.989 5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.156 4.542 6.087 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.052 5.368 4.515 1.00 0.00 H new ATOM 688 N ILE A 54 -13.598 2.310 2.404 1.00 0.00 N ATOM 689 CA ILE A 54 -14.223 2.363 1.050 1.00 0.00 C ATOM 690 C ILE A 54 -15.651 1.813 1.118 1.00 0.00 C ATOM 691 O ILE A 54 -16.078 1.302 2.134 1.00 0.00 O ATOM 692 CB ILE A 54 -13.345 1.475 0.168 1.00 0.00 C ATOM 693 CG1 ILE A 54 -11.931 2.055 0.107 1.00 0.00 C ATOM 694 CG2 ILE A 54 -13.931 1.416 -1.244 1.00 0.00 C ATOM 695 CD1 ILE A 54 -11.996 3.519 -0.330 1.00 0.00 C ATOM 0 H ILE A 54 -13.492 1.374 2.796 1.00 0.00 H new ATOM 0 HA ILE A 54 -14.286 3.379 0.660 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.309 0.470 0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.453 1.977 1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.322 1.483 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.304 0.783 -1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.939 1.002 -1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.968 2.421 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.988 3.931 -0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.457 3.584 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.590 4.087 0.387 1.00 0.00 H new ATOM 707 N GLU A 55 -16.397 1.912 0.051 1.00 0.00 N ATOM 708 CA GLU A 55 -17.794 1.391 0.077 1.00 0.00 C ATOM 709 C GLU A 55 -18.370 1.311 -1.338 1.00 0.00 C ATOM 710 O GLU A 55 -18.292 2.249 -2.107 1.00 0.00 O ATOM 711 CB GLU A 55 -18.576 2.402 0.917 1.00 0.00 C ATOM 712 CG GLU A 55 -20.060 2.027 0.917 1.00 0.00 C ATOM 713 CD GLU A 55 -20.414 1.342 2.238 1.00 0.00 C ATOM 714 OE1 GLU A 55 -19.571 0.628 2.756 1.00 0.00 O ATOM 715 OE2 GLU A 55 -21.521 1.543 2.708 1.00 0.00 O ATOM 0 H GLU A 55 -16.102 2.328 -0.832 1.00 0.00 H new ATOM 0 HA GLU A 55 -17.846 0.384 0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.194 2.416 1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -18.444 3.406 0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -20.671 2.919 0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -20.278 1.363 0.081 1.00 0.00 H new ATOM 722 N GLU A 56 -18.955 0.193 -1.677 1.00 0.00 N ATOM 723 CA GLU A 56 -19.554 0.026 -3.033 1.00 0.00 C ATOM 724 C GLU A 56 -18.690 0.705 -4.100 1.00 0.00 C ATOM 725 O GLU A 56 -17.496 0.864 -3.939 1.00 0.00 O ATOM 726 CB GLU A 56 -20.925 0.693 -2.940 1.00 0.00 C ATOM 727 CG GLU A 56 -20.750 2.207 -2.857 1.00 0.00 C ATOM 728 CD GLU A 56 -22.101 2.892 -3.070 1.00 0.00 C ATOM 729 OE1 GLU A 56 -22.824 3.047 -2.100 1.00 0.00 O ATOM 730 OE2 GLU A 56 -22.390 3.250 -4.200 1.00 0.00 O ATOM 0 H GLU A 56 -19.044 -0.619 -1.066 1.00 0.00 H new ATOM 0 HA GLU A 56 -19.626 -1.023 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -21.527 0.433 -3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -21.459 0.329 -2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.340 2.483 -1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -20.038 2.543 -3.611 1.00 0.00 H new ATOM 737 N GLY A 57 -19.288 1.102 -5.191 1.00 0.00 N ATOM 738 CA GLY A 57 -18.507 1.766 -6.272 1.00 0.00 C ATOM 739 C GLY A 57 -18.443 3.272 -6.010 1.00 0.00 C ATOM 740 O GLY A 57 -19.259 4.032 -6.492 1.00 0.00 O ATOM 0 H GLY A 57 -20.285 0.995 -5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -17.500 1.351 -6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -18.971 1.575 -7.240 1.00 0.00 H new ATOM 744 N THR A 58 -17.477 3.709 -5.249 1.00 0.00 N ATOM 745 CA THR A 58 -17.357 5.165 -4.957 1.00 0.00 C ATOM 746 C THR A 58 -16.076 5.719 -5.591 1.00 0.00 C ATOM 747 O THR A 58 -15.270 4.985 -6.127 1.00 0.00 O ATOM 748 CB THR A 58 -17.308 5.253 -3.426 1.00 0.00 C ATOM 749 OG1 THR A 58 -18.634 5.264 -2.916 1.00 0.00 O ATOM 750 CG2 THR A 58 -16.586 6.531 -2.989 1.00 0.00 C ATOM 0 H THR A 58 -16.765 3.120 -4.817 1.00 0.00 H new ATOM 0 HA THR A 58 -18.182 5.750 -5.364 1.00 0.00 H new ATOM 0 HB THR A 58 -16.766 4.391 -3.038 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.854 4.379 -2.557 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.559 6.580 -1.900 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.568 6.524 -3.377 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.117 7.400 -3.378 1.00 0.00 H new ATOM 758 N THR A 59 -15.884 7.009 -5.538 1.00 0.00 N ATOM 759 CA THR A 59 -14.658 7.607 -6.141 1.00 0.00 C ATOM 760 C THR A 59 -13.528 7.659 -5.110 1.00 0.00 C ATOM 761 O THR A 59 -13.763 7.723 -3.920 1.00 0.00 O ATOM 762 CB THR A 59 -15.070 9.020 -6.553 1.00 0.00 C ATOM 763 OG1 THR A 59 -16.373 8.985 -7.120 1.00 0.00 O ATOM 764 CG2 THR A 59 -14.078 9.565 -7.581 1.00 0.00 C ATOM 0 H THR A 59 -16.523 7.675 -5.103 1.00 0.00 H new ATOM 0 HA THR A 59 -14.289 7.025 -6.985 1.00 0.00 H new ATOM 0 HB THR A 59 -15.072 9.668 -5.677 1.00 0.00 H new ATOM 0 HG1 THR A 59 -16.640 9.891 -7.383 1.00 0.00 H new ATOM 0 HG21 THR A 59 -14.374 10.573 -7.873 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.080 9.592 -7.144 1.00 0.00 H new ATOM 0 HG23 THR A 59 -14.072 8.919 -8.459 1.00 0.00 H new ATOM 772 N TYR A 60 -12.302 7.634 -5.560 1.00 0.00 N ATOM 773 CA TYR A 60 -11.155 7.685 -4.607 1.00 0.00 C ATOM 774 C TYR A 60 -9.884 8.130 -5.333 1.00 0.00 C ATOM 775 O TYR A 60 -9.887 8.371 -6.524 1.00 0.00 O ATOM 776 CB TYR A 60 -10.994 6.254 -4.096 1.00 0.00 C ATOM 777 CG TYR A 60 -12.098 5.936 -3.118 1.00 0.00 C ATOM 778 CD1 TYR A 60 -12.078 6.487 -1.833 1.00 0.00 C ATOM 779 CD2 TYR A 60 -13.139 5.085 -3.498 1.00 0.00 C ATOM 780 CE1 TYR A 60 -13.103 6.187 -0.928 1.00 0.00 C ATOM 781 CE2 TYR A 60 -14.163 4.783 -2.595 1.00 0.00 C ATOM 782 CZ TYR A 60 -14.146 5.334 -1.309 1.00 0.00 C ATOM 783 OH TYR A 60 -15.155 5.037 -0.416 1.00 0.00 O ATOM 0 H TYR A 60 -12.045 7.581 -6.546 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.329 8.393 -3.796 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.022 5.554 -4.931 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.023 6.137 -3.614 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -11.272 7.143 -1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -13.153 4.660 -4.491 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.089 6.613 0.064 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -14.967 4.125 -2.890 1.00 0.00 H new ATOM 0 HH TYR A 60 -15.799 4.432 -0.840 1.00 0.00 H new ATOM 793 N THR A 61 -8.796 8.234 -4.623 1.00 0.00 N ATOM 794 CA THR A 61 -7.520 8.657 -5.266 1.00 0.00 C ATOM 795 C THR A 61 -6.333 8.032 -4.528 1.00 0.00 C ATOM 796 O THR A 61 -6.089 8.322 -3.373 1.00 0.00 O ATOM 797 CB THR A 61 -7.494 10.180 -5.134 1.00 0.00 C ATOM 798 OG1 THR A 61 -8.526 10.740 -5.934 1.00 0.00 O ATOM 799 CG2 THR A 61 -6.139 10.713 -5.600 1.00 0.00 C ATOM 0 H THR A 61 -8.735 8.044 -3.623 1.00 0.00 H new ATOM 0 HA THR A 61 -7.453 8.340 -6.307 1.00 0.00 H new ATOM 0 HB THR A 61 -7.650 10.457 -4.091 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.512 11.716 -5.849 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.123 11.799 -5.505 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.348 10.283 -4.985 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.979 10.438 -6.642 1.00 0.00 H new ATOM 807 N LEU A 62 -5.594 7.177 -5.180 1.00 0.00 N ATOM 808 CA LEU A 62 -4.428 6.543 -4.502 1.00 0.00 C ATOM 809 C LEU A 62 -3.176 7.396 -4.699 1.00 0.00 C ATOM 810 O LEU A 62 -2.736 7.626 -5.808 1.00 0.00 O ATOM 811 CB LEU A 62 -4.253 5.180 -5.176 1.00 0.00 C ATOM 812 CG LEU A 62 -2.928 4.555 -4.723 1.00 0.00 C ATOM 813 CD1 LEU A 62 -3.095 3.953 -3.327 1.00 0.00 C ATOM 814 CD2 LEU A 62 -2.519 3.455 -5.704 1.00 0.00 C ATOM 0 H LEU A 62 -5.746 6.891 -6.147 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.587 6.445 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.084 4.524 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.262 5.294 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.157 5.325 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.152 3.509 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.384 4.736 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.868 3.184 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.577 3.011 -5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.291 2.686 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.397 3.882 -6.699 1.00 0.00 H new ATOM 826 N ARG A 63 -2.597 7.858 -3.630 1.00 0.00 N ATOM 827 CA ARG A 63 -1.368 8.688 -3.748 1.00 0.00 C ATOM 828 C ARG A 63 -0.260 8.094 -2.879 1.00 0.00 C ATOM 829 O ARG A 63 -0.493 7.678 -1.765 1.00 0.00 O ATOM 830 CB ARG A 63 -1.770 10.072 -3.237 1.00 0.00 C ATOM 831 CG ARG A 63 -2.940 10.603 -4.067 1.00 0.00 C ATOM 832 CD ARG A 63 -3.030 12.123 -3.909 1.00 0.00 C ATOM 833 NE ARG A 63 -4.337 12.363 -3.237 1.00 0.00 N ATOM 834 CZ ARG A 63 -4.649 13.561 -2.825 1.00 0.00 C ATOM 835 NH1 ARG A 63 -3.707 14.418 -2.537 1.00 0.00 N ATOM 836 NH2 ARG A 63 -5.902 13.903 -2.701 1.00 0.00 N ATOM 0 H ARG A 63 -2.922 7.697 -2.677 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.989 8.731 -4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.052 10.015 -2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.924 10.756 -3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.802 10.343 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.871 10.137 -3.743 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.203 12.508 -3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.985 12.624 -4.876 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.989 11.591 -3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.727 14.151 -2.634 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.951 15.355 -2.215 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.638 13.234 -2.926 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.146 14.840 -2.379 1.00 0.00 H new ATOM 850 N TYR A 64 0.943 8.051 -3.380 1.00 0.00 N ATOM 851 CA TYR A 64 2.066 7.485 -2.579 1.00 0.00 C ATOM 852 C TYR A 64 3.372 7.590 -3.375 1.00 0.00 C ATOM 853 O TYR A 64 3.388 7.439 -4.580 1.00 0.00 O ATOM 854 CB TYR A 64 1.674 6.019 -2.311 1.00 0.00 C ATOM 855 CG TYR A 64 2.167 5.119 -3.426 1.00 0.00 C ATOM 856 CD1 TYR A 64 3.526 4.788 -3.516 1.00 0.00 C ATOM 857 CD2 TYR A 64 1.262 4.617 -4.369 1.00 0.00 C ATOM 858 CE1 TYR A 64 3.976 3.957 -4.549 1.00 0.00 C ATOM 859 CE2 TYR A 64 1.714 3.787 -5.402 1.00 0.00 C ATOM 860 CZ TYR A 64 3.071 3.457 -5.492 1.00 0.00 C ATOM 861 OH TYR A 64 3.516 2.639 -6.510 1.00 0.00 O ATOM 0 H TYR A 64 1.198 8.383 -4.310 1.00 0.00 H new ATOM 0 HA TYR A 64 2.231 8.019 -1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.096 5.693 -1.360 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.591 5.937 -2.224 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.225 5.174 -2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.214 4.870 -4.300 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.023 3.701 -4.618 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.015 3.401 -6.130 1.00 0.00 H new ATOM 0 HH TYR A 64 4.484 2.511 -6.427 1.00 0.00 H new ATOM 871 N THR A 65 4.463 7.851 -2.712 1.00 0.00 N ATOM 872 CA THR A 65 5.760 7.968 -3.437 1.00 0.00 C ATOM 873 C THR A 65 6.739 6.910 -2.929 1.00 0.00 C ATOM 874 O THR A 65 7.361 7.067 -1.897 1.00 0.00 O ATOM 875 CB THR A 65 6.270 9.374 -3.118 1.00 0.00 C ATOM 876 OG1 THR A 65 5.292 10.329 -3.506 1.00 0.00 O ATOM 877 CG2 THR A 65 7.570 9.633 -3.880 1.00 0.00 C ATOM 0 H THR A 65 4.514 7.988 -1.703 1.00 0.00 H new ATOM 0 HA THR A 65 5.651 7.813 -4.510 1.00 0.00 H new ATOM 0 HB THR A 65 6.457 9.459 -2.048 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.541 11.211 -3.160 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.932 10.635 -3.652 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.319 8.900 -3.581 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.387 9.549 -4.951 1.00 0.00 H new ATOM 885 N ALA A 66 6.875 5.831 -3.647 1.00 0.00 N ATOM 886 CA ALA A 66 7.807 4.756 -3.209 1.00 0.00 C ATOM 887 C ALA A 66 9.129 4.857 -3.975 1.00 0.00 C ATOM 888 O ALA A 66 9.192 5.410 -5.056 1.00 0.00 O ATOM 889 CB ALA A 66 7.085 3.451 -3.548 1.00 0.00 C ATOM 0 H ALA A 66 6.380 5.647 -4.520 1.00 0.00 H new ATOM 0 HA ALA A 66 8.052 4.824 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.707 2.605 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.138 3.409 -3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.895 3.408 -4.620 1.00 0.00 H new ATOM 895 N THR A 67 10.185 4.328 -3.422 1.00 0.00 N ATOM 896 CA THR A 67 11.502 4.393 -4.118 1.00 0.00 C ATOM 897 C THR A 67 12.361 3.184 -3.741 1.00 0.00 C ATOM 898 O THR A 67 12.655 2.955 -2.585 1.00 0.00 O ATOM 899 CB THR A 67 12.153 5.686 -3.624 1.00 0.00 C ATOM 900 OG1 THR A 67 11.369 6.796 -4.038 1.00 0.00 O ATOM 901 CG2 THR A 67 13.562 5.804 -4.209 1.00 0.00 C ATOM 0 H THR A 67 10.194 3.854 -2.519 1.00 0.00 H new ATOM 0 HA THR A 67 11.394 4.381 -5.203 1.00 0.00 H new ATOM 0 HB THR A 67 12.215 5.672 -2.536 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.330 7.457 -3.315 1.00 0.00 H new ATOM 0 HG21 THR A 67 14.026 6.725 -3.857 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.161 4.951 -3.890 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.504 5.820 -5.297 1.00 0.00 H new ATOM 909 N ALA A 68 12.770 2.410 -4.709 1.00 0.00 N ATOM 910 CA ALA A 68 13.614 1.220 -4.404 1.00 0.00 C ATOM 911 C ALA A 68 15.040 1.446 -4.911 1.00 0.00 C ATOM 912 O ALA A 68 15.250 1.908 -6.015 1.00 0.00 O ATOM 913 CB ALA A 68 12.955 0.061 -5.154 1.00 0.00 C ATOM 0 H ALA A 68 12.557 2.550 -5.697 1.00 0.00 H new ATOM 0 HA ALA A 68 13.682 1.024 -3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.520 -0.854 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.933 -0.069 -4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.941 0.280 -6.222 1.00 0.00 H new ATOM 919 N SER A 69 16.022 1.122 -4.116 1.00 0.00 N ATOM 920 CA SER A 69 17.432 1.317 -4.560 1.00 0.00 C ATOM 921 C SER A 69 17.743 0.388 -5.736 1.00 0.00 C ATOM 922 O SER A 69 18.778 0.489 -6.365 1.00 0.00 O ATOM 923 CB SER A 69 18.285 0.952 -3.346 1.00 0.00 C ATOM 924 OG SER A 69 19.037 2.088 -2.942 1.00 0.00 O ATOM 0 H SER A 69 15.910 0.732 -3.180 1.00 0.00 H new ATOM 0 HA SER A 69 17.624 2.335 -4.898 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.649 0.613 -2.528 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.954 0.127 -3.592 1.00 0.00 H new ATOM 0 HG SER A 69 19.584 1.858 -2.162 1.00 0.00 H new ATOM 930 N THR A 70 16.852 -0.518 -6.036 1.00 0.00 N ATOM 931 CA THR A 70 17.092 -1.456 -7.169 1.00 0.00 C ATOM 932 C THR A 70 16.014 -1.275 -8.244 1.00 0.00 C ATOM 933 O THR A 70 15.795 -2.143 -9.065 1.00 0.00 O ATOM 934 CB THR A 70 16.994 -2.851 -6.544 1.00 0.00 C ATOM 935 OG1 THR A 70 17.601 -3.800 -7.410 1.00 0.00 O ATOM 936 CG2 THR A 70 15.522 -3.218 -6.332 1.00 0.00 C ATOM 0 H THR A 70 15.968 -0.649 -5.545 1.00 0.00 H new ATOM 0 HA THR A 70 18.054 -1.287 -7.653 1.00 0.00 H new ATOM 0 HB THR A 70 17.508 -2.855 -5.583 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.283 -3.657 -8.326 1.00 0.00 H new ATOM 0 HG21 THR A 70 15.455 -4.211 -5.887 1.00 0.00 H new ATOM 0 HG22 THR A 70 15.058 -2.490 -5.666 1.00 0.00 H new ATOM 0 HG23 THR A 70 15.004 -3.214 -7.291 1.00 0.00 H new ATOM 944 N ASP A 71 15.337 -0.160 -8.239 1.00 0.00 N ATOM 945 CA ASP A 71 14.271 0.067 -9.252 1.00 0.00 C ATOM 946 C ASP A 71 13.438 -1.206 -9.415 1.00 0.00 C ATOM 947 O ASP A 71 13.382 -1.796 -10.476 1.00 0.00 O ATOM 948 CB ASP A 71 15.026 0.397 -10.536 1.00 0.00 C ATOM 949 CG ASP A 71 14.068 0.343 -11.727 1.00 0.00 C ATOM 950 OD1 ASP A 71 13.359 1.314 -11.936 1.00 0.00 O ATOM 951 OD2 ASP A 71 14.059 -0.668 -12.410 1.00 0.00 O ATOM 0 H ASP A 71 15.477 0.603 -7.577 1.00 0.00 H new ATOM 0 HA ASP A 71 13.580 0.863 -8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.473 1.388 -10.462 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.842 -0.311 -10.681 1.00 0.00 H new ATOM 956 N VAL A 72 12.803 -1.641 -8.361 1.00 0.00 N ATOM 957 CA VAL A 72 11.987 -2.885 -8.437 1.00 0.00 C ATOM 958 C VAL A 72 10.543 -2.569 -8.836 1.00 0.00 C ATOM 959 O VAL A 72 9.953 -1.613 -8.375 1.00 0.00 O ATOM 960 CB VAL A 72 12.031 -3.467 -7.023 1.00 0.00 C ATOM 961 CG1 VAL A 72 11.131 -2.642 -6.099 1.00 0.00 C ATOM 962 CG2 VAL A 72 11.536 -4.915 -7.054 1.00 0.00 C ATOM 0 H VAL A 72 12.815 -1.187 -7.448 1.00 0.00 H new ATOM 0 HA VAL A 72 12.371 -3.578 -9.186 1.00 0.00 H new ATOM 0 HB VAL A 72 13.055 -3.438 -6.651 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.164 -3.058 -5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.481 -1.610 -6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.106 -2.669 -6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.567 -5.332 -6.047 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.512 -4.942 -7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.176 -5.504 -7.710 1.00 0.00 H new ATOM 972 N THR A 73 9.969 -3.378 -9.680 1.00 0.00 N ATOM 973 CA THR A 73 8.560 -3.146 -10.102 1.00 0.00 C ATOM 974 C THR A 73 7.714 -4.365 -9.730 1.00 0.00 C ATOM 975 O THR A 73 7.523 -5.265 -10.524 1.00 0.00 O ATOM 976 CB THR A 73 8.620 -2.970 -11.620 1.00 0.00 C ATOM 977 OG1 THR A 73 9.635 -2.031 -11.946 1.00 0.00 O ATOM 978 CG2 THR A 73 7.271 -2.464 -12.131 1.00 0.00 C ATOM 0 H THR A 73 10.417 -4.194 -10.098 1.00 0.00 H new ATOM 0 HA THR A 73 8.112 -2.278 -9.619 1.00 0.00 H new ATOM 0 HB THR A 73 8.846 -3.928 -12.088 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.676 -1.918 -12.919 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.315 -2.339 -13.213 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.493 -3.185 -11.881 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.041 -1.506 -11.664 1.00 0.00 H new ATOM 986 N VAL A 74 7.217 -4.408 -8.524 1.00 0.00 N ATOM 987 CA VAL A 74 6.398 -5.580 -8.101 1.00 0.00 C ATOM 988 C VAL A 74 4.919 -5.342 -8.415 1.00 0.00 C ATOM 989 O VAL A 74 4.574 -4.786 -9.439 1.00 0.00 O ATOM 990 CB VAL A 74 6.618 -5.695 -6.593 1.00 0.00 C ATOM 991 CG1 VAL A 74 8.116 -5.629 -6.286 1.00 0.00 C ATOM 992 CG2 VAL A 74 5.902 -4.543 -5.887 1.00 0.00 C ATOM 0 H VAL A 74 7.342 -3.685 -7.815 1.00 0.00 H new ATOM 0 HA VAL A 74 6.685 -6.492 -8.625 1.00 0.00 H new ATOM 0 HB VAL A 74 6.218 -6.645 -6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.271 -5.711 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.627 -6.449 -6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.518 -4.679 -6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.057 -4.623 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.303 -3.593 -6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.835 -4.590 -6.104 1.00 0.00 H new ATOM 1002 N ARG A 75 4.042 -5.766 -7.546 1.00 0.00 N ATOM 1003 CA ARG A 75 2.586 -5.570 -7.804 1.00 0.00 C ATOM 1004 C ARG A 75 1.891 -4.997 -6.565 1.00 0.00 C ATOM 1005 O ARG A 75 1.877 -5.604 -5.516 1.00 0.00 O ATOM 1006 CB ARG A 75 2.054 -6.969 -8.115 1.00 0.00 C ATOM 1007 CG ARG A 75 2.139 -7.226 -9.620 1.00 0.00 C ATOM 1008 CD ARG A 75 0.727 -7.393 -10.187 1.00 0.00 C ATOM 1009 NE ARG A 75 0.233 -6.004 -10.399 1.00 0.00 N ATOM 1010 CZ ARG A 75 -0.891 -5.801 -11.031 1.00 0.00 C ATOM 1011 NH1 ARG A 75 -0.900 -5.703 -12.332 1.00 0.00 N ATOM 1012 NH2 ARG A 75 -2.006 -5.695 -10.361 1.00 0.00 N ATOM 0 H ARG A 75 4.269 -6.238 -6.671 1.00 0.00 H new ATOM 0 HA ARG A 75 2.404 -4.867 -8.617 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.633 -7.718 -7.575 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.021 -7.060 -7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.645 -6.397 -10.114 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.729 -8.121 -9.815 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.740 -7.955 -11.121 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.086 -7.939 -9.496 1.00 0.00 H new ATOM 0 HE ARG A 75 0.773 -5.212 -10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.029 -5.785 -12.856 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.779 -5.544 -12.825 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.999 -5.771 -9.344 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.884 -5.536 -10.855 1.00 0.00 H new ATOM 1026 N ALA A 76 1.305 -3.836 -6.683 1.00 0.00 N ATOM 1027 CA ALA A 76 0.602 -3.230 -5.515 1.00 0.00 C ATOM 1028 C ALA A 76 -0.859 -2.958 -5.878 1.00 0.00 C ATOM 1029 O ALA A 76 -1.225 -2.949 -7.036 1.00 0.00 O ATOM 1030 CB ALA A 76 1.341 -1.921 -5.232 1.00 0.00 C ATOM 0 H ALA A 76 1.283 -3.280 -7.538 1.00 0.00 H new ATOM 0 HA ALA A 76 0.603 -3.885 -4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.878 -1.418 -4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.385 -2.135 -5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.287 -1.276 -6.109 1.00 0.00 H new ATOM 1036 N LEU A 77 -1.698 -2.739 -4.901 1.00 0.00 N ATOM 1037 CA LEU A 77 -3.133 -2.475 -5.201 1.00 0.00 C ATOM 1038 C LEU A 77 -3.940 -2.380 -3.899 1.00 0.00 C ATOM 1039 O LEU A 77 -3.403 -2.112 -2.843 1.00 0.00 O ATOM 1040 CB LEU A 77 -3.590 -3.676 -6.038 1.00 0.00 C ATOM 1041 CG LEU A 77 -3.076 -4.972 -5.407 1.00 0.00 C ATOM 1042 CD1 LEU A 77 -3.829 -5.240 -4.102 1.00 0.00 C ATOM 1043 CD2 LEU A 77 -3.308 -6.135 -6.374 1.00 0.00 C ATOM 0 H LEU A 77 -1.452 -2.732 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.279 -1.533 -5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.678 -3.696 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.216 -3.584 -7.058 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.010 -4.876 -5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.462 -6.163 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.667 -4.412 -3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.895 -5.336 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.942 -7.059 -5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.374 -6.229 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.773 -5.947 -7.305 1.00 0.00 H new ATOM 1055 N VAL A 78 -5.224 -2.599 -3.971 1.00 0.00 N ATOM 1056 CA VAL A 78 -6.074 -2.525 -2.748 1.00 0.00 C ATOM 1057 C VAL A 78 -7.173 -3.585 -2.835 1.00 0.00 C ATOM 1058 O VAL A 78 -7.371 -4.192 -3.868 1.00 0.00 O ATOM 1059 CB VAL A 78 -6.677 -1.117 -2.769 1.00 0.00 C ATOM 1060 CG1 VAL A 78 -7.246 -0.780 -1.390 1.00 0.00 C ATOM 1061 CG2 VAL A 78 -5.590 -0.101 -3.129 1.00 0.00 C ATOM 0 H VAL A 78 -5.725 -2.828 -4.830 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.515 -2.707 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.475 -1.079 -3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.674 0.222 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.021 -1.501 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.449 -0.821 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.019 0.901 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.792 -0.143 -2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.183 -0.336 -4.113 1.00 0.00 H new ATOM 1071 N GLY A 79 -7.892 -3.822 -1.772 1.00 0.00 N ATOM 1072 CA GLY A 79 -8.965 -4.854 -1.841 1.00 0.00 C ATOM 1073 C GLY A 79 -9.550 -5.110 -0.453 1.00 0.00 C ATOM 1074 O GLY A 79 -9.135 -4.528 0.529 1.00 0.00 O ATOM 0 H GLY A 79 -7.786 -3.354 -0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.752 -4.524 -2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.561 -5.781 -2.249 1.00 0.00 H new ATOM 1078 N GLN A 80 -10.515 -5.985 -0.371 1.00 0.00 N ATOM 1079 CA GLN A 80 -11.141 -6.295 0.945 1.00 0.00 C ATOM 1080 C GLN A 80 -10.532 -7.571 1.530 1.00 0.00 C ATOM 1081 O GLN A 80 -10.244 -8.514 0.821 1.00 0.00 O ATOM 1082 CB GLN A 80 -12.623 -6.508 0.633 1.00 0.00 C ATOM 1083 CG GLN A 80 -13.441 -6.376 1.918 1.00 0.00 C ATOM 1084 CD GLN A 80 -14.798 -7.056 1.732 1.00 0.00 C ATOM 1085 OE1 GLN A 80 -15.564 -6.683 0.865 1.00 0.00 O ATOM 1086 NE2 GLN A 80 -15.131 -8.046 2.514 1.00 0.00 N ATOM 0 H GLN A 80 -10.898 -6.501 -1.163 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.985 -5.502 1.676 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.959 -5.776 -0.101 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.775 -7.494 0.193 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -12.905 -6.832 2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -13.581 -5.324 2.166 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -14.489 -8.359 3.242 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -16.034 -8.506 2.398 1.00 0.00 H new ATOM 1095 N ASN A 81 -10.338 -7.609 2.819 1.00 0.00 N ATOM 1096 CA ASN A 81 -9.753 -8.828 3.446 1.00 0.00 C ATOM 1097 C ASN A 81 -10.869 -9.731 3.973 1.00 0.00 C ATOM 1098 O ASN A 81 -11.245 -9.658 5.127 1.00 0.00 O ATOM 1099 CB ASN A 81 -8.893 -8.311 4.598 1.00 0.00 C ATOM 1100 CG ASN A 81 -7.796 -7.402 4.045 1.00 0.00 C ATOM 1101 OD1 ASN A 81 -8.081 -6.389 3.438 1.00 0.00 O ATOM 1102 ND2 ASN A 81 -6.545 -7.724 4.229 1.00 0.00 N ATOM 0 H ASN A 81 -10.559 -6.851 3.465 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.170 -9.418 2.739 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.510 -7.763 5.310 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.449 -9.147 5.139 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.805 -7.125 3.863 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.307 -8.575 4.739 1.00 0.00 H new ATOM 1109 N GLY A 82 -11.401 -10.575 3.132 1.00 0.00 N ATOM 1110 CA GLY A 82 -12.496 -11.485 3.573 1.00 0.00 C ATOM 1111 C GLY A 82 -13.708 -11.301 2.658 1.00 0.00 C ATOM 1112 O GLY A 82 -14.011 -10.206 2.227 1.00 0.00 O ATOM 0 H GLY A 82 -11.124 -10.674 2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.158 -12.521 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.770 -11.269 4.606 1.00 0.00 H new ATOM 1116 N ALA A 83 -14.404 -12.363 2.356 1.00 0.00 N ATOM 1117 CA ALA A 83 -15.595 -12.246 1.467 1.00 0.00 C ATOM 1118 C ALA A 83 -16.423 -11.013 1.847 1.00 0.00 C ATOM 1119 O ALA A 83 -16.385 -10.571 2.978 1.00 0.00 O ATOM 1120 CB ALA A 83 -16.397 -13.525 1.710 1.00 0.00 C ATOM 0 H ALA A 83 -14.200 -13.306 2.686 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.317 -12.130 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.293 -13.516 1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.787 -14.391 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -16.683 -13.581 2.760 1.00 0.00 H new ATOM 1126 N PRO A 84 -17.151 -10.493 0.887 1.00 0.00 N ATOM 1127 CA PRO A 84 -17.164 -11.070 -0.482 1.00 0.00 C ATOM 1128 C PRO A 84 -15.923 -10.633 -1.272 1.00 0.00 C ATOM 1129 O PRO A 84 -15.852 -10.807 -2.473 1.00 0.00 O ATOM 1130 CB PRO A 84 -18.427 -10.484 -1.102 1.00 0.00 C ATOM 1131 CG PRO A 84 -18.681 -9.209 -0.359 1.00 0.00 C ATOM 1132 CD PRO A 84 -18.032 -9.326 0.999 1.00 0.00 C ATOM 0 HA PRO A 84 -17.152 -12.160 -0.482 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -18.291 -10.297 -2.167 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -19.268 -11.170 -1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -18.271 -8.360 -0.906 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -19.752 -9.034 -0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -17.469 -8.427 1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -18.776 -9.464 1.784 1.00 0.00 H new ATOM 1140 N TYR A 85 -14.949 -10.064 -0.614 1.00 0.00 N ATOM 1141 CA TYR A 85 -13.720 -9.616 -1.335 1.00 0.00 C ATOM 1142 C TYR A 85 -14.074 -8.548 -2.373 1.00 0.00 C ATOM 1143 O TYR A 85 -15.161 -8.531 -2.916 1.00 0.00 O ATOM 1144 CB TYR A 85 -13.176 -10.869 -2.025 1.00 0.00 C ATOM 1145 CG TYR A 85 -13.129 -12.014 -1.042 1.00 0.00 C ATOM 1146 CD1 TYR A 85 -12.264 -11.959 0.058 1.00 0.00 C ATOM 1147 CD2 TYR A 85 -13.948 -13.134 -1.232 1.00 0.00 C ATOM 1148 CE1 TYR A 85 -12.218 -13.023 0.967 1.00 0.00 C ATOM 1149 CE2 TYR A 85 -13.903 -14.198 -0.323 1.00 0.00 C ATOM 1150 CZ TYR A 85 -13.038 -14.142 0.776 1.00 0.00 C ATOM 1151 OH TYR A 85 -12.993 -15.191 1.672 1.00 0.00 O ATOM 0 H TYR A 85 -14.950 -9.890 0.391 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.988 -9.175 -0.658 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -13.808 -11.132 -2.873 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -12.178 -10.674 -2.419 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.632 -11.096 0.205 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -14.615 -13.177 -2.080 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -11.550 -12.981 1.815 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.535 -15.061 -0.470 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.625 -15.886 1.394 1.00 0.00 H new ATOM 1161 N GLY A 86 -13.162 -7.658 -2.654 1.00 0.00 N ATOM 1162 CA GLY A 86 -13.443 -6.592 -3.658 1.00 0.00 C ATOM 1163 C GLY A 86 -12.159 -5.812 -3.947 1.00 0.00 C ATOM 1164 O GLY A 86 -11.701 -5.032 -3.136 1.00 0.00 O ATOM 0 H GLY A 86 -12.234 -7.623 -2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.827 -7.035 -4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.214 -5.919 -3.283 1.00 0.00 H new ATOM 1168 N THR A 87 -11.574 -6.014 -5.095 1.00 0.00 N ATOM 1169 CA THR A 87 -10.320 -5.280 -5.430 1.00 0.00 C ATOM 1170 C THR A 87 -10.639 -4.043 -6.273 1.00 0.00 C ATOM 1171 O THR A 87 -11.488 -4.074 -7.142 1.00 0.00 O ATOM 1172 CB THR A 87 -9.479 -6.274 -6.232 1.00 0.00 C ATOM 1173 OG1 THR A 87 -10.330 -7.046 -7.068 1.00 0.00 O ATOM 1174 CG2 THR A 87 -8.725 -7.197 -5.274 1.00 0.00 C ATOM 0 H THR A 87 -11.909 -6.654 -5.815 1.00 0.00 H new ATOM 0 HA THR A 87 -9.797 -4.930 -4.540 1.00 0.00 H new ATOM 0 HB THR A 87 -8.762 -5.731 -6.847 1.00 0.00 H new ATOM 0 HG1 THR A 87 -9.792 -7.682 -7.584 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.126 -7.905 -5.847 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.072 -6.603 -4.635 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.439 -7.742 -4.656 1.00 0.00 H new ATOM 1182 N VAL A 88 -9.965 -2.954 -6.023 1.00 0.00 N ATOM 1183 CA VAL A 88 -10.229 -1.716 -6.810 1.00 0.00 C ATOM 1184 C VAL A 88 -8.947 -1.249 -7.506 1.00 0.00 C ATOM 1185 O VAL A 88 -8.980 -0.445 -8.416 1.00 0.00 O ATOM 1186 CB VAL A 88 -10.689 -0.684 -5.781 1.00 0.00 C ATOM 1187 CG1 VAL A 88 -11.879 -1.241 -4.997 1.00 0.00 C ATOM 1188 CG2 VAL A 88 -9.541 -0.381 -4.816 1.00 0.00 C ATOM 0 H VAL A 88 -9.243 -2.868 -5.308 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.974 -1.872 -7.590 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.987 0.231 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.208 -0.505 -4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.697 -1.459 -5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.581 -2.156 -4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.868 0.355 -4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.244 -1.297 -4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.692 0.015 -5.373 1.00 0.00 H new ATOM 1198 N LEU A 89 -7.818 -1.750 -7.085 1.00 0.00 N ATOM 1199 CA LEU A 89 -6.534 -1.339 -7.723 1.00 0.00 C ATOM 1200 C LEU A 89 -5.830 -2.541 -8.353 1.00 0.00 C ATOM 1201 O LEU A 89 -5.843 -3.632 -7.820 1.00 0.00 O ATOM 1202 CB LEU A 89 -5.694 -0.765 -6.595 1.00 0.00 C ATOM 1203 CG LEU A 89 -5.936 0.736 -6.518 1.00 0.00 C ATOM 1204 CD1 LEU A 89 -7.216 1.007 -5.731 1.00 0.00 C ATOM 1205 CD2 LEU A 89 -4.749 1.392 -5.823 1.00 0.00 C ATOM 0 H LEU A 89 -7.729 -2.426 -6.327 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.695 -0.617 -8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.958 -1.239 -5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.638 -0.968 -6.770 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.044 1.148 -7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.389 2.082 -5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.059 0.529 -6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.116 0.604 -4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.912 2.468 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.645 0.984 -4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.840 1.194 -6.391 1.00 0.00 H new ATOM 1217 N ASP A 90 -5.211 -2.346 -9.484 1.00 0.00 N ATOM 1218 CA ASP A 90 -4.499 -3.475 -10.150 1.00 0.00 C ATOM 1219 C ASP A 90 -3.316 -2.946 -10.967 1.00 0.00 C ATOM 1220 O ASP A 90 -3.430 -2.703 -12.152 1.00 0.00 O ATOM 1221 CB ASP A 90 -5.541 -4.115 -11.067 1.00 0.00 C ATOM 1222 CG ASP A 90 -6.415 -5.075 -10.257 1.00 0.00 C ATOM 1223 OD1 ASP A 90 -6.047 -6.233 -10.150 1.00 0.00 O ATOM 1224 OD2 ASP A 90 -7.437 -4.635 -9.756 1.00 0.00 O ATOM 0 H ASP A 90 -5.167 -1.454 -9.977 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.095 -4.189 -9.432 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.159 -3.344 -11.526 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.047 -4.652 -11.877 1.00 0.00 H new ATOM 1229 N THR A 91 -2.181 -2.765 -10.346 1.00 0.00 N ATOM 1230 CA THR A 91 -0.998 -2.251 -11.098 1.00 0.00 C ATOM 1231 C THR A 91 0.297 -2.588 -10.352 1.00 0.00 C ATOM 1232 O THR A 91 0.292 -3.309 -9.375 1.00 0.00 O ATOM 1233 CB THR A 91 -1.200 -0.736 -11.163 1.00 0.00 C ATOM 1234 OG1 THR A 91 -1.698 -0.272 -9.916 1.00 0.00 O ATOM 1235 CG2 THR A 91 -2.200 -0.399 -12.270 1.00 0.00 C ATOM 0 H THR A 91 -2.021 -2.950 -9.356 1.00 0.00 H new ATOM 0 HA THR A 91 -0.915 -2.697 -12.089 1.00 0.00 H new ATOM 0 HB THR A 91 -0.247 -0.252 -11.378 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.826 0.699 -9.956 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.343 0.681 -12.315 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.817 -0.755 -13.227 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.154 -0.883 -12.058 1.00 0.00 H new ATOM 1243 N SER A 92 1.406 -2.070 -10.808 1.00 0.00 N ATOM 1244 CA SER A 92 2.702 -2.359 -10.129 1.00 0.00 C ATOM 1245 C SER A 92 3.363 -1.055 -9.674 1.00 0.00 C ATOM 1246 O SER A 92 3.358 -0.074 -10.390 1.00 0.00 O ATOM 1247 CB SER A 92 3.558 -3.052 -11.188 1.00 0.00 C ATOM 1248 OG SER A 92 2.985 -4.315 -11.501 1.00 0.00 O ATOM 0 H SER A 92 1.470 -1.459 -11.622 1.00 0.00 H new ATOM 0 HA SER A 92 2.574 -2.977 -9.240 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.619 -2.435 -12.084 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.576 -3.182 -10.821 1.00 0.00 H new ATOM 0 HG SER A 92 3.572 -5.030 -11.178 1.00 0.00 H new ATOM 1254 N PRO A 93 3.908 -1.090 -8.488 1.00 0.00 N ATOM 1255 CA PRO A 93 4.578 0.103 -7.921 1.00 0.00 C ATOM 1256 C PRO A 93 5.959 0.298 -8.554 1.00 0.00 C ATOM 1257 O PRO A 93 6.973 0.044 -7.936 1.00 0.00 O ATOM 1258 CB PRO A 93 4.713 -0.233 -6.440 1.00 0.00 C ATOM 1259 CG PRO A 93 4.710 -1.727 -6.374 1.00 0.00 C ATOM 1260 CD PRO A 93 3.947 -2.234 -7.572 1.00 0.00 C ATOM 0 HA PRO A 93 4.026 1.025 -8.101 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.634 0.177 -6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.889 0.188 -5.864 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.729 -2.113 -6.378 1.00 0.00 H new ATOM 0 HG3 PRO A 93 4.243 -2.069 -5.450 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.444 -3.091 -8.027 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.943 -2.557 -7.296 1.00 0.00 H new ATOM 1268 N ALA A 94 6.010 0.753 -9.775 1.00 0.00 N ATOM 1269 CA ALA A 94 7.333 0.966 -10.427 1.00 0.00 C ATOM 1270 C ALA A 94 8.241 1.769 -9.493 1.00 0.00 C ATOM 1271 O ALA A 94 7.869 2.818 -9.006 1.00 0.00 O ATOM 1272 CB ALA A 94 7.027 1.762 -11.696 1.00 0.00 C ATOM 0 H ALA A 94 5.198 0.986 -10.347 1.00 0.00 H new ATOM 0 HA ALA A 94 7.845 0.031 -10.653 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.954 1.960 -12.234 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.354 1.188 -12.332 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.555 2.707 -11.428 1.00 0.00 H new ATOM 1278 N LEU A 95 9.423 1.285 -9.227 1.00 0.00 N ATOM 1279 CA LEU A 95 10.336 2.030 -8.313 1.00 0.00 C ATOM 1280 C LEU A 95 11.683 2.297 -8.989 1.00 0.00 C ATOM 1281 O LEU A 95 12.010 1.714 -10.003 1.00 0.00 O ATOM 1282 CB LEU A 95 10.513 1.115 -7.104 1.00 0.00 C ATOM 1283 CG LEU A 95 9.242 1.154 -6.257 1.00 0.00 C ATOM 1284 CD1 LEU A 95 9.152 -0.114 -5.409 1.00 0.00 C ATOM 1285 CD2 LEU A 95 9.279 2.382 -5.344 1.00 0.00 C ATOM 0 H LEU A 95 9.795 0.412 -9.600 1.00 0.00 H new ATOM 0 HA LEU A 95 9.932 3.004 -8.036 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.716 0.095 -7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.370 1.436 -6.512 1.00 0.00 H new ATOM 0 HG LEU A 95 8.371 1.212 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.245 -0.084 -4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.126 -0.987 -6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.021 -0.176 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.373 2.413 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 95 10.150 2.324 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.340 3.285 -5.951 1.00 0.00 H new ATOM 1297 N THR A 96 12.466 3.178 -8.427 1.00 0.00 N ATOM 1298 CA THR A 96 13.796 3.493 -9.024 1.00 0.00 C ATOM 1299 C THR A 96 14.718 4.090 -7.958 1.00 0.00 C ATOM 1300 O THR A 96 14.348 4.220 -6.808 1.00 0.00 O ATOM 1301 CB THR A 96 13.515 4.519 -10.128 1.00 0.00 C ATOM 1302 OG1 THR A 96 14.716 5.204 -10.453 1.00 0.00 O ATOM 1303 CG2 THR A 96 12.467 5.526 -9.648 1.00 0.00 C ATOM 0 H THR A 96 12.241 3.695 -7.577 1.00 0.00 H new ATOM 0 HA THR A 96 14.291 2.605 -9.418 1.00 0.00 H new ATOM 0 HB THR A 96 13.138 4.003 -11.011 1.00 0.00 H new ATOM 0 HG1 THR A 96 14.538 5.859 -11.160 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.272 6.252 -10.437 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.544 5.001 -9.402 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.838 6.043 -8.763 1.00 0.00 H new ATOM 1311 N SER A 97 15.915 4.451 -8.326 1.00 0.00 N ATOM 1312 CA SER A 97 16.857 5.036 -7.327 1.00 0.00 C ATOM 1313 C SER A 97 16.354 6.404 -6.857 1.00 0.00 C ATOM 1314 O SER A 97 16.611 6.820 -5.744 1.00 0.00 O ATOM 1315 CB SER A 97 18.185 5.177 -8.069 1.00 0.00 C ATOM 1316 OG SER A 97 18.149 6.345 -8.878 1.00 0.00 O ATOM 0 H SER A 97 16.283 4.367 -9.274 1.00 0.00 H new ATOM 0 HA SER A 97 16.952 4.413 -6.437 1.00 0.00 H new ATOM 0 HB2 SER A 97 19.008 5.239 -7.357 1.00 0.00 H new ATOM 0 HB3 SER A 97 18.364 4.298 -8.688 1.00 0.00 H new ATOM 0 HG SER A 97 19.000 6.439 -9.354 1.00 0.00 H new ATOM 1322 N GLU A 98 15.640 7.106 -7.692 1.00 0.00 N ATOM 1323 CA GLU A 98 15.124 8.445 -7.286 1.00 0.00 C ATOM 1324 C GLU A 98 13.730 8.307 -6.668 1.00 0.00 C ATOM 1325 O GLU A 98 13.201 7.217 -6.569 1.00 0.00 O ATOM 1326 CB GLU A 98 15.061 9.254 -8.581 1.00 0.00 C ATOM 1327 CG GLU A 98 16.112 10.365 -8.536 1.00 0.00 C ATOM 1328 CD GLU A 98 16.160 11.078 -9.888 1.00 0.00 C ATOM 1329 OE1 GLU A 98 15.491 10.623 -10.800 1.00 0.00 O ATOM 1330 OE2 GLU A 98 16.866 12.069 -9.988 1.00 0.00 O ATOM 0 H GLU A 98 15.391 6.812 -8.637 1.00 0.00 H new ATOM 0 HA GLU A 98 15.756 8.924 -6.538 1.00 0.00 H new ATOM 0 HB2 GLU A 98 15.239 8.604 -9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.067 9.683 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.871 11.076 -7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.090 9.946 -8.299 1.00 0.00 H new ATOM 1337 N PRO A 99 13.180 9.422 -6.270 1.00 0.00 N ATOM 1338 CA PRO A 99 11.831 9.425 -5.655 1.00 0.00 C ATOM 1339 C PRO A 99 10.761 9.192 -6.723 1.00 0.00 C ATOM 1340 O PRO A 99 10.752 9.834 -7.755 1.00 0.00 O ATOM 1341 CB PRO A 99 11.711 10.826 -5.062 1.00 0.00 C ATOM 1342 CG PRO A 99 12.648 11.671 -5.865 1.00 0.00 C ATOM 1343 CD PRO A 99 13.753 10.770 -6.355 1.00 0.00 C ATOM 0 HA PRO A 99 11.696 8.640 -4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.688 11.197 -5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.982 10.832 -4.006 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.127 12.132 -6.704 1.00 0.00 H new ATOM 0 HG3 PRO A 99 13.053 12.480 -5.257 1.00 0.00 H new ATOM 0 HD2 PRO A 99 14.044 11.016 -7.376 1.00 0.00 H new ATOM 0 HD3 PRO A 99 14.646 10.863 -5.738 1.00 0.00 H new ATOM 1351 N ARG A 100 9.861 8.276 -6.490 1.00 0.00 N ATOM 1352 CA ARG A 100 8.800 8.009 -7.501 1.00 0.00 C ATOM 1353 C ARG A 100 7.414 8.262 -6.903 1.00 0.00 C ATOM 1354 O ARG A 100 6.813 7.389 -6.309 1.00 0.00 O ATOM 1355 CB ARG A 100 8.966 6.535 -7.868 1.00 0.00 C ATOM 1356 CG ARG A 100 9.269 6.416 -9.363 1.00 0.00 C ATOM 1357 CD ARG A 100 8.970 4.992 -9.833 1.00 0.00 C ATOM 1358 NE ARG A 100 9.365 4.971 -11.269 1.00 0.00 N ATOM 1359 CZ ARG A 100 8.705 5.687 -12.137 1.00 0.00 C ATOM 1360 NH1 ARG A 100 7.642 5.197 -12.714 1.00 0.00 N ATOM 1361 NH2 ARG A 100 9.108 6.894 -12.429 1.00 0.00 N ATOM 0 H ARG A 100 9.815 7.703 -5.647 1.00 0.00 H new ATOM 0 HA ARG A 100 8.889 8.660 -8.371 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.774 6.092 -7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 100 8.058 5.983 -7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.666 7.130 -9.925 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.314 6.661 -9.554 1.00 0.00 H new ATOM 0 HD2 ARG A 100 9.535 4.259 -9.257 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.915 4.749 -9.710 1.00 0.00 H new ATOM 0 HE ARG A 100 10.151 4.397 -11.574 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.327 4.254 -12.486 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.126 5.757 -13.393 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.939 7.277 -11.978 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.592 7.454 -13.108 1.00 0.00 H new ATOM 1375 N GLN A 101 6.901 9.452 -7.062 1.00 0.00 N ATOM 1376 CA GLN A 101 5.552 9.764 -6.510 1.00 0.00 C ATOM 1377 C GLN A 101 4.471 9.078 -7.350 1.00 0.00 C ATOM 1378 O GLN A 101 4.678 8.760 -8.504 1.00 0.00 O ATOM 1379 CB GLN A 101 5.427 11.285 -6.611 1.00 0.00 C ATOM 1380 CG GLN A 101 4.153 11.742 -5.897 1.00 0.00 C ATOM 1381 CD GLN A 101 4.462 12.968 -5.035 1.00 0.00 C ATOM 1382 OE1 GLN A 101 5.414 13.783 -5.399 1.00 0.00 O flip ATOM 1383 NE2 GLN A 101 3.830 13.187 -4.021 1.00 0.00 N flip ATOM 0 H GLN A 101 7.358 10.222 -7.551 1.00 0.00 H new ATOM 0 HA GLN A 101 5.430 9.413 -5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.299 11.762 -6.163 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.399 11.589 -7.657 1.00 0.00 H new ATOM 0 HG2 GLN A 101 3.381 11.983 -6.627 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.763 10.936 -5.275 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.086 12.550 -3.736 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.043 14.008 -3.454 1.00 0.00 H new ATOM 1392 N VAL A 102 3.320 8.846 -6.781 1.00 0.00 N ATOM 1393 CA VAL A 102 2.231 8.179 -7.550 1.00 0.00 C ATOM 1394 C VAL A 102 0.892 8.871 -7.282 1.00 0.00 C ATOM 1395 O VAL A 102 0.549 9.165 -6.154 1.00 0.00 O ATOM 1396 CB VAL A 102 2.207 6.741 -7.034 1.00 0.00 C ATOM 1397 CG1 VAL A 102 1.157 5.938 -7.803 1.00 0.00 C ATOM 1398 CG2 VAL A 102 3.584 6.105 -7.239 1.00 0.00 C ATOM 0 H VAL A 102 3.086 9.089 -5.818 1.00 0.00 H new ATOM 0 HA VAL A 102 2.398 8.223 -8.626 1.00 0.00 H new ATOM 0 HB VAL A 102 1.958 6.740 -5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.141 4.913 -7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.176 6.391 -7.660 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.405 5.938 -8.864 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.569 5.079 -6.872 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.831 6.107 -8.301 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.334 6.676 -6.691 1.00 0.00 H new ATOM 1408 N THR A 103 0.133 9.134 -8.310 1.00 0.00 N ATOM 1409 CA THR A 103 -1.182 9.809 -8.114 1.00 0.00 C ATOM 1410 C THR A 103 -2.168 9.374 -9.201 1.00 0.00 C ATOM 1411 O THR A 103 -1.932 9.564 -10.378 1.00 0.00 O ATOM 1412 CB THR A 103 -0.881 11.304 -8.228 1.00 0.00 C ATOM 1413 OG1 THR A 103 0.509 11.521 -8.029 1.00 0.00 O ATOM 1414 CG2 THR A 103 -1.676 12.069 -7.168 1.00 0.00 C ATOM 0 H THR A 103 0.366 8.911 -9.278 1.00 0.00 H new ATOM 0 HA THR A 103 -1.637 9.557 -7.156 1.00 0.00 H new ATOM 0 HB THR A 103 -1.167 11.659 -9.218 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.705 12.478 -8.103 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.461 13.134 -7.250 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.742 11.901 -7.321 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.392 11.717 -6.176 1.00 0.00 H new ATOM 1422 N GLU A 104 -3.271 8.792 -8.818 1.00 0.00 N ATOM 1423 CA GLU A 104 -4.270 8.346 -9.830 1.00 0.00 C ATOM 1424 C GLU A 104 -5.641 8.163 -9.175 1.00 0.00 C ATOM 1425 O GLU A 104 -5.762 7.568 -8.122 1.00 0.00 O ATOM 1426 CB GLU A 104 -3.739 7.010 -10.349 1.00 0.00 C ATOM 1427 CG GLU A 104 -2.707 7.263 -11.449 1.00 0.00 C ATOM 1428 CD GLU A 104 -1.298 7.115 -10.872 1.00 0.00 C ATOM 1429 OE1 GLU A 104 -1.183 7.001 -9.663 1.00 0.00 O ATOM 1430 OE2 GLU A 104 -0.357 7.120 -11.649 1.00 0.00 O ATOM 0 H GLU A 104 -3.524 8.606 -7.848 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.397 9.072 -10.633 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.286 6.445 -9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.560 6.407 -10.737 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.852 6.558 -12.267 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.839 8.263 -11.863 1.00 0.00 H new ATOM 1437 N THR A 105 -6.676 8.668 -9.788 1.00 0.00 N ATOM 1438 CA THR A 105 -8.038 8.521 -9.199 1.00 0.00 C ATOM 1439 C THR A 105 -8.720 7.265 -9.749 1.00 0.00 C ATOM 1440 O THR A 105 -8.538 6.900 -10.893 1.00 0.00 O ATOM 1441 CB THR A 105 -8.795 9.777 -9.633 1.00 0.00 C ATOM 1442 OG1 THR A 105 -8.022 10.926 -9.318 1.00 0.00 O ATOM 1443 CG2 THR A 105 -10.136 9.845 -8.902 1.00 0.00 C ATOM 0 H THR A 105 -6.638 9.176 -10.672 1.00 0.00 H new ATOM 0 HA THR A 105 -8.010 8.417 -8.114 1.00 0.00 H new ATOM 0 HB THR A 105 -8.972 9.742 -10.708 1.00 0.00 H new ATOM 0 HG1 THR A 105 -8.505 11.732 -9.597 1.00 0.00 H new ATOM 0 HG21 THR A 105 -10.674 10.741 -9.212 1.00 0.00 H new ATOM 0 HG22 THR A 105 -10.728 8.963 -9.145 1.00 0.00 H new ATOM 0 HG23 THR A 105 -9.963 9.880 -7.826 1.00 0.00 H new ATOM 1451 N PHE A 106 -9.502 6.602 -8.942 1.00 0.00 N ATOM 1452 CA PHE A 106 -10.194 5.370 -9.422 1.00 0.00 C ATOM 1453 C PHE A 106 -11.524 5.187 -8.687 1.00 0.00 C ATOM 1454 O PHE A 106 -11.695 5.635 -7.571 1.00 0.00 O ATOM 1455 CB PHE A 106 -9.236 4.224 -9.090 1.00 0.00 C ATOM 1456 CG PHE A 106 -9.239 3.979 -7.599 1.00 0.00 C ATOM 1457 CD1 PHE A 106 -8.405 4.730 -6.763 1.00 0.00 C ATOM 1458 CD2 PHE A 106 -10.077 2.999 -7.053 1.00 0.00 C ATOM 1459 CE1 PHE A 106 -8.408 4.502 -5.382 1.00 0.00 C ATOM 1460 CE2 PHE A 106 -10.080 2.771 -5.671 1.00 0.00 C ATOM 1461 CZ PHE A 106 -9.246 3.523 -4.836 1.00 0.00 C ATOM 0 H PHE A 106 -9.692 6.858 -7.973 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.425 5.415 -10.486 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.538 3.320 -9.618 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.229 4.469 -9.427 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.759 5.486 -7.184 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.721 2.419 -7.697 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -7.764 5.082 -4.738 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -10.726 2.015 -5.250 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.249 3.348 -3.770 1.00 0.00 H new ATOM 1471 N THR A 107 -12.467 4.528 -9.304 1.00 0.00 N ATOM 1472 CA THR A 107 -13.784 4.313 -8.638 1.00 0.00 C ATOM 1473 C THR A 107 -13.757 3.008 -7.838 1.00 0.00 C ATOM 1474 O THR A 107 -14.034 1.944 -8.357 1.00 0.00 O ATOM 1475 CB THR A 107 -14.796 4.223 -9.781 1.00 0.00 C ATOM 1476 OG1 THR A 107 -14.931 5.498 -10.393 1.00 0.00 O ATOM 1477 CG2 THR A 107 -16.151 3.773 -9.231 1.00 0.00 C ATOM 0 H THR A 107 -12.383 4.130 -10.239 1.00 0.00 H new ATOM 0 HA THR A 107 -14.033 5.112 -7.939 1.00 0.00 H new ATOM 0 HB THR A 107 -14.448 3.500 -10.519 1.00 0.00 H new ATOM 0 HG1 THR A 107 -15.578 5.442 -11.127 1.00 0.00 H new ATOM 0 HG21 THR A 107 -16.872 3.709 -10.046 1.00 0.00 H new ATOM 0 HG22 THR A 107 -16.046 2.795 -8.762 1.00 0.00 H new ATOM 0 HG23 THR A 107 -16.502 4.494 -8.493 1.00 0.00 H new ATOM 1485 N ALA A 108 -13.421 3.081 -6.580 1.00 0.00 N ATOM 1486 CA ALA A 108 -13.372 1.845 -5.748 1.00 0.00 C ATOM 1487 C ALA A 108 -14.647 1.023 -5.941 1.00 0.00 C ATOM 1488 O ALA A 108 -15.656 1.270 -5.311 1.00 0.00 O ATOM 1489 CB ALA A 108 -13.267 2.340 -4.306 1.00 0.00 C ATOM 0 H ALA A 108 -13.178 3.943 -6.092 1.00 0.00 H new ATOM 0 HA ALA A 108 -12.536 1.200 -6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.226 1.486 -3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.362 2.937 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -14.138 2.951 -4.067 1.00 0.00 H new ATOM 1495 N SER A 109 -14.610 0.046 -6.804 1.00 0.00 N ATOM 1496 CA SER A 109 -15.820 -0.794 -7.034 1.00 0.00 C ATOM 1497 C SER A 109 -15.882 -1.923 -6.002 1.00 0.00 C ATOM 1498 O SER A 109 -16.064 -3.076 -6.340 1.00 0.00 O ATOM 1499 CB SER A 109 -15.646 -1.362 -8.442 1.00 0.00 C ATOM 1500 OG SER A 109 -14.604 -2.328 -8.432 1.00 0.00 O ATOM 0 H SER A 109 -13.794 -0.208 -7.361 1.00 0.00 H new ATOM 0 HA SER A 109 -16.744 -0.224 -6.937 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.577 -1.817 -8.781 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.409 -0.562 -9.143 1.00 0.00 H new ATOM 0 HG SER A 109 -14.895 -3.118 -7.930 1.00 0.00 H new ATOM 1506 N ALA A 110 -15.730 -1.601 -4.746 1.00 0.00 N ATOM 1507 CA ALA A 110 -15.779 -2.657 -3.694 1.00 0.00 C ATOM 1508 C ALA A 110 -16.219 -2.053 -2.358 1.00 0.00 C ATOM 1509 O ALA A 110 -16.899 -1.048 -2.314 1.00 0.00 O ATOM 1510 CB ALA A 110 -14.348 -3.187 -3.599 1.00 0.00 C ATOM 0 H ALA A 110 -15.574 -0.653 -4.403 1.00 0.00 H new ATOM 0 HA ALA A 110 -16.491 -3.447 -3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -14.300 -3.971 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -14.046 -3.594 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -13.677 -2.374 -3.322 1.00 0.00 H new ATOM 1516 N THR A 111 -15.836 -2.660 -1.268 1.00 0.00 N ATOM 1517 CA THR A 111 -16.234 -2.119 0.063 1.00 0.00 C ATOM 1518 C THR A 111 -15.180 -2.472 1.116 1.00 0.00 C ATOM 1519 O THR A 111 -14.997 -3.622 1.464 1.00 0.00 O ATOM 1520 CB THR A 111 -17.565 -2.801 0.385 1.00 0.00 C ATOM 1521 OG1 THR A 111 -18.435 -2.688 -0.732 1.00 0.00 O ATOM 1522 CG2 THR A 111 -18.203 -2.130 1.602 1.00 0.00 C ATOM 0 H THR A 111 -15.266 -3.505 -1.241 1.00 0.00 H new ATOM 0 HA THR A 111 -16.323 -1.033 0.057 1.00 0.00 H new ATOM 0 HB THR A 111 -17.391 -3.854 0.605 1.00 0.00 H new ATOM 0 HG1 THR A 111 -19.288 -3.126 -0.528 1.00 0.00 H new ATOM 0 HG21 THR A 111 -19.151 -2.617 1.830 1.00 0.00 H new ATOM 0 HG22 THR A 111 -17.534 -2.218 2.458 1.00 0.00 H new ATOM 0 HG23 THR A 111 -18.379 -1.076 1.386 1.00 0.00 H new ATOM 1530 N TYR A 112 -14.488 -1.491 1.626 1.00 0.00 N ATOM 1531 CA TYR A 112 -13.449 -1.770 2.659 1.00 0.00 C ATOM 1532 C TYR A 112 -13.905 -1.243 4.021 1.00 0.00 C ATOM 1533 O TYR A 112 -13.819 -0.060 4.287 1.00 0.00 O ATOM 1534 CB TYR A 112 -12.203 -1.011 2.193 1.00 0.00 C ATOM 1535 CG TYR A 112 -11.788 -1.474 0.813 1.00 0.00 C ATOM 1536 CD1 TYR A 112 -12.293 -2.669 0.283 1.00 0.00 C ATOM 1537 CD2 TYR A 112 -10.894 -0.701 0.062 1.00 0.00 C ATOM 1538 CE1 TYR A 112 -11.903 -3.087 -0.996 1.00 0.00 C ATOM 1539 CE2 TYR A 112 -10.506 -1.118 -1.216 1.00 0.00 C ATOM 1540 CZ TYR A 112 -11.010 -2.310 -1.745 1.00 0.00 C ATOM 1541 OH TYR A 112 -10.632 -2.715 -3.008 1.00 0.00 O ATOM 0 H TYR A 112 -14.596 -0.509 1.373 1.00 0.00 H new ATOM 0 HA TYR A 112 -13.261 -2.838 2.770 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -12.406 0.060 2.178 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -11.387 -1.171 2.898 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -12.982 -3.267 0.860 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -10.503 0.219 0.470 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -12.291 -4.008 -1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -9.817 -0.519 -1.794 1.00 0.00 H new ATOM 0 HH TYR A 112 -11.148 -3.507 -3.266 1.00 0.00 H new ATOM 1551 N PRO A 113 -14.371 -2.140 4.847 1.00 0.00 N ATOM 1552 CA PRO A 113 -14.835 -1.753 6.199 1.00 0.00 C ATOM 1553 C PRO A 113 -13.637 -1.389 7.080 1.00 0.00 C ATOM 1554 O PRO A 113 -12.618 -2.051 7.066 1.00 0.00 O ATOM 1555 CB PRO A 113 -15.547 -3.003 6.708 1.00 0.00 C ATOM 1556 CG PRO A 113 -14.946 -4.135 5.938 1.00 0.00 C ATOM 1557 CD PRO A 113 -14.505 -3.581 4.605 1.00 0.00 C ATOM 0 HA PRO A 113 -15.487 -0.880 6.203 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -15.398 -3.132 7.780 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.622 -2.940 6.541 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -14.100 -4.561 6.477 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.672 -4.936 5.801 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -13.561 -4.021 4.282 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -15.237 -3.788 3.824 1.00 0.00 H new ATOM 1565 N ALA A 114 -13.747 -0.330 7.834 1.00 0.00 N ATOM 1566 CA ALA A 114 -12.613 0.094 8.703 1.00 0.00 C ATOM 1567 C ALA A 114 -11.993 -1.109 9.418 1.00 0.00 C ATOM 1568 O ALA A 114 -11.014 -1.672 8.970 1.00 0.00 O ATOM 1569 CB ALA A 114 -13.232 1.058 9.716 1.00 0.00 C ATOM 0 H ALA A 114 -14.576 0.262 7.886 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.812 0.558 8.127 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.459 1.417 10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -13.674 1.904 9.190 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.004 0.541 10.286 1.00 0.00 H new ATOM 1661 N GLU A 122 -11.898 -6.597 6.592 1.00 0.00 N ATOM 1662 CA GLU A 122 -11.424 -5.180 6.557 1.00 0.00 C ATOM 1663 C GLU A 122 -10.611 -4.929 5.282 1.00 0.00 C ATOM 1664 O GLU A 122 -9.743 -5.701 4.926 1.00 0.00 O ATOM 1665 CB GLU A 122 -10.572 -5.002 7.826 1.00 0.00 C ATOM 1666 CG GLU A 122 -9.101 -5.345 7.555 1.00 0.00 C ATOM 1667 CD GLU A 122 -8.954 -6.855 7.363 1.00 0.00 C ATOM 1668 OE1 GLU A 122 -9.881 -7.569 7.706 1.00 0.00 O ATOM 1669 OE2 GLU A 122 -7.915 -7.272 6.877 1.00 0.00 O ATOM 0 HA GLU A 122 -12.245 -4.464 6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -10.650 -3.974 8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -10.958 -5.642 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -8.752 -4.819 6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -8.480 -5.012 8.387 1.00 0.00 H new ATOM 1676 N GLY A 123 -10.886 -3.857 4.591 1.00 0.00 N ATOM 1677 CA GLY A 123 -10.130 -3.564 3.340 1.00 0.00 C ATOM 1678 C GLY A 123 -8.809 -2.881 3.689 1.00 0.00 C ATOM 1679 O GLY A 123 -8.719 -2.136 4.645 1.00 0.00 O ATOM 0 H GLY A 123 -11.600 -3.172 4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.940 -4.487 2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -10.722 -2.922 2.687 1.00 0.00 H new ATOM 1683 N GLN A 124 -7.780 -3.130 2.927 1.00 0.00 N ATOM 1684 CA GLN A 124 -6.466 -2.493 3.224 1.00 0.00 C ATOM 1685 C GLN A 124 -5.656 -2.300 1.940 1.00 0.00 C ATOM 1686 O GLN A 124 -6.195 -2.247 0.849 1.00 0.00 O ATOM 1687 CB GLN A 124 -5.759 -3.475 4.162 1.00 0.00 C ATOM 1688 CG GLN A 124 -5.380 -4.746 3.397 1.00 0.00 C ATOM 1689 CD GLN A 124 -4.239 -5.458 4.126 1.00 0.00 C ATOM 1690 OE1 GLN A 124 -3.843 -5.052 5.201 1.00 0.00 O ATOM 1691 NE2 GLN A 124 -3.690 -6.510 3.584 1.00 0.00 N ATOM 0 H GLN A 124 -7.792 -3.745 2.114 1.00 0.00 H new ATOM 0 HA GLN A 124 -6.581 -1.505 3.670 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -4.865 -3.012 4.581 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -6.411 -3.725 4.999 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -6.243 -5.407 3.317 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -5.076 -4.495 2.381 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -4.022 -6.851 2.682 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -2.929 -6.992 4.062 1.00 0.00 H new ATOM 1700 N ILE A 125 -4.359 -2.214 2.070 1.00 0.00 N ATOM 1701 CA ILE A 125 -3.488 -2.041 0.873 1.00 0.00 C ATOM 1702 C ILE A 125 -2.559 -3.248 0.760 1.00 0.00 C ATOM 1703 O ILE A 125 -2.028 -3.727 1.743 1.00 0.00 O ATOM 1704 CB ILE A 125 -2.686 -0.759 1.139 1.00 0.00 C ATOM 1705 CG1 ILE A 125 -3.515 0.454 0.711 1.00 0.00 C ATOM 1706 CG2 ILE A 125 -1.373 -0.784 0.344 1.00 0.00 C ATOM 1707 CD1 ILE A 125 -2.827 1.736 1.184 1.00 0.00 C ATOM 0 H ILE A 125 -3.863 -2.257 2.960 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.051 -1.967 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.457 -0.695 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.626 0.467 -0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -4.518 0.390 1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -0.812 0.130 0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.780 -1.646 0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.594 -0.853 -0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.418 2.600 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.739 1.722 2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.834 1.801 0.740 1.00 0.00 H new ATOM 1719 N ALA A 126 -2.371 -3.754 -0.424 1.00 0.00 N ATOM 1720 CA ALA A 126 -1.492 -4.941 -0.583 1.00 0.00 C ATOM 1721 C ALA A 126 -0.241 -4.600 -1.394 1.00 0.00 C ATOM 1722 O ALA A 126 -0.315 -4.132 -2.513 1.00 0.00 O ATOM 1723 CB ALA A 126 -2.348 -5.965 -1.328 1.00 0.00 C ATOM 0 H ALA A 126 -2.786 -3.399 -1.285 1.00 0.00 H new ATOM 0 HA ALA A 126 -1.139 -5.313 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.770 -6.876 -1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -3.235 -6.196 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -2.650 -5.555 -2.292 1.00 0.00 H new ATOM 1729 N PHE A 127 0.907 -4.867 -0.840 1.00 0.00 N ATOM 1730 CA PHE A 127 2.179 -4.606 -1.567 1.00 0.00 C ATOM 1731 C PHE A 127 2.892 -5.948 -1.739 1.00 0.00 C ATOM 1732 O PHE A 127 3.556 -6.432 -0.844 1.00 0.00 O ATOM 1733 CB PHE A 127 2.982 -3.658 -0.667 1.00 0.00 C ATOM 1734 CG PHE A 127 2.659 -2.221 -1.019 1.00 0.00 C ATOM 1735 CD1 PHE A 127 1.327 -1.786 -1.055 1.00 0.00 C ATOM 1736 CD2 PHE A 127 3.693 -1.324 -1.320 1.00 0.00 C ATOM 1737 CE1 PHE A 127 1.032 -0.459 -1.393 1.00 0.00 C ATOM 1738 CE2 PHE A 127 3.397 0.002 -1.655 1.00 0.00 C ATOM 1739 CZ PHE A 127 2.067 0.434 -1.693 1.00 0.00 C ATOM 0 H PHE A 127 1.020 -5.259 0.095 1.00 0.00 H new ATOM 0 HA PHE A 127 2.041 -4.161 -2.552 1.00 0.00 H new ATOM 0 HB2 PHE A 127 2.745 -3.848 0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.049 -3.841 -0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.528 -2.474 -0.822 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.720 -1.657 -1.293 1.00 0.00 H new ATOM 0 HE1 PHE A 127 0.005 -0.125 -1.422 1.00 0.00 H new ATOM 0 HE2 PHE A 127 4.196 0.692 -1.884 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.839 1.457 -1.954 1.00 0.00 H new ATOM 1749 N GLN A 128 2.706 -6.577 -2.867 1.00 0.00 N ATOM 1750 CA GLN A 128 3.313 -7.920 -3.087 1.00 0.00 C ATOM 1751 C GLN A 128 4.725 -7.833 -3.668 1.00 0.00 C ATOM 1752 O GLN A 128 4.922 -7.837 -4.868 1.00 0.00 O ATOM 1753 CB GLN A 128 2.376 -8.611 -4.077 1.00 0.00 C ATOM 1754 CG GLN A 128 1.263 -9.328 -3.312 1.00 0.00 C ATOM 1755 CD GLN A 128 -0.065 -8.605 -3.545 1.00 0.00 C ATOM 1756 OE1 GLN A 128 -0.113 -7.607 -4.236 1.00 0.00 O ATOM 1757 NE2 GLN A 128 -1.153 -9.070 -2.994 1.00 0.00 N ATOM 0 H GLN A 128 2.158 -6.217 -3.648 1.00 0.00 H new ATOM 0 HA GLN A 128 3.417 -8.461 -2.146 1.00 0.00 H new ATOM 0 HB2 GLN A 128 1.948 -7.878 -4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 128 2.933 -9.325 -4.683 1.00 0.00 H new ATOM 0 HG2 GLN A 128 1.188 -10.364 -3.644 1.00 0.00 H new ATOM 0 HG3 GLN A 128 1.495 -9.350 -2.247 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -1.113 -9.908 -2.414 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -2.043 -8.595 -3.144 1.00 0.00 H new ATOM 1766 N LEU A 129 5.707 -7.795 -2.814 1.00 0.00 N ATOM 1767 CA LEU A 129 7.123 -7.758 -3.286 1.00 0.00 C ATOM 1768 C LEU A 129 7.718 -9.169 -3.164 1.00 0.00 C ATOM 1769 O LEU A 129 8.809 -9.362 -2.660 1.00 0.00 O ATOM 1770 CB LEU A 129 7.863 -6.784 -2.357 1.00 0.00 C ATOM 1771 CG LEU A 129 6.936 -5.641 -1.934 1.00 0.00 C ATOM 1772 CD1 LEU A 129 7.640 -4.780 -0.883 1.00 0.00 C ATOM 1773 CD2 LEU A 129 6.600 -4.782 -3.154 1.00 0.00 C ATOM 0 H LEU A 129 5.591 -7.788 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 129 7.205 -7.437 -4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.222 -7.315 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 129 8.739 -6.381 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 129 6.018 -6.051 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 129 6.982 -3.965 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 129 7.883 -5.392 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 129 8.557 -4.368 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 129 5.940 -3.968 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 129 7.518 -4.370 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 129 6.102 -5.395 -3.905 1.00 0.00 H new ATOM 1785 N GLY A 130 6.989 -10.161 -3.596 1.00 0.00 N ATOM 1786 CA GLY A 130 7.488 -11.563 -3.490 1.00 0.00 C ATOM 1787 C GLY A 130 8.133 -12.001 -4.807 1.00 0.00 C ATOM 1788 O GLY A 130 7.608 -11.761 -5.876 1.00 0.00 O ATOM 0 H GLY A 130 6.066 -10.062 -4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.214 -11.637 -2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 130 6.664 -12.231 -3.242 1.00 0.00 H new ATOM 1792 N GLY A 131 9.267 -12.652 -4.727 1.00 0.00 N ATOM 1793 CA GLY A 131 9.964 -13.126 -5.958 1.00 0.00 C ATOM 1794 C GLY A 131 9.828 -12.079 -7.070 1.00 0.00 C ATOM 1795 O GLY A 131 9.084 -12.259 -8.014 1.00 0.00 O ATOM 0 H GLY A 131 9.742 -12.876 -3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 131 11.017 -13.307 -5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 131 9.538 -14.074 -6.285 1.00 0.00 H new ATOM 1799 N PHE A 132 10.534 -10.982 -6.966 1.00 0.00 N ATOM 1800 CA PHE A 132 10.429 -9.929 -8.021 1.00 0.00 C ATOM 1801 C PHE A 132 11.819 -9.509 -8.518 1.00 0.00 C ATOM 1802 O PHE A 132 12.270 -9.944 -9.559 1.00 0.00 O ATOM 1803 CB PHE A 132 9.726 -8.753 -7.341 1.00 0.00 C ATOM 1804 CG PHE A 132 8.232 -8.883 -7.524 1.00 0.00 C ATOM 1805 CD1 PHE A 132 7.654 -8.624 -8.773 1.00 0.00 C ATOM 1806 CD2 PHE A 132 7.424 -9.259 -6.444 1.00 0.00 C ATOM 1807 CE1 PHE A 132 6.269 -8.742 -8.942 1.00 0.00 C ATOM 1808 CE2 PHE A 132 6.039 -9.377 -6.614 1.00 0.00 C ATOM 1809 CZ PHE A 132 5.462 -9.118 -7.862 1.00 0.00 C ATOM 0 H PHE A 132 11.175 -10.770 -6.201 1.00 0.00 H new ATOM 0 HA PHE A 132 9.883 -10.286 -8.895 1.00 0.00 H new ATOM 0 HB2 PHE A 132 9.972 -8.733 -6.279 1.00 0.00 H new ATOM 0 HB3 PHE A 132 10.074 -7.812 -7.767 1.00 0.00 H new ATOM 0 HD1 PHE A 132 8.277 -8.333 -9.606 1.00 0.00 H new ATOM 0 HD2 PHE A 132 7.869 -9.458 -5.480 1.00 0.00 H new ATOM 0 HE1 PHE A 132 5.824 -8.543 -9.906 1.00 0.00 H new ATOM 0 HE2 PHE A 132 5.416 -9.668 -5.781 1.00 0.00 H new ATOM 0 HZ PHE A 132 4.394 -9.208 -7.992 1.00 0.00 H new ATOM 1819 N SER A 133 12.498 -8.661 -7.791 1.00 0.00 N ATOM 1820 CA SER A 133 13.851 -8.213 -8.240 1.00 0.00 C ATOM 1821 C SER A 133 14.932 -9.157 -7.706 1.00 0.00 C ATOM 1822 O SER A 133 15.326 -9.071 -6.563 1.00 0.00 O ATOM 1823 CB SER A 133 14.021 -6.815 -7.647 1.00 0.00 C ATOM 1824 OG SER A 133 15.379 -6.413 -7.772 1.00 0.00 O ATOM 0 H SER A 133 12.177 -8.260 -6.910 1.00 0.00 H new ATOM 0 HA SER A 133 13.943 -8.212 -9.326 1.00 0.00 H new ATOM 0 HB2 SER A 133 13.372 -6.107 -8.162 1.00 0.00 H new ATOM 0 HB3 SER A 133 13.725 -6.814 -6.598 1.00 0.00 H new ATOM 0 HG SER A 133 15.418 -5.466 -8.019 1.00 0.00 H new ATOM 1830 N ALA A 134 15.401 -10.057 -8.536 1.00 0.00 N ATOM 1831 CA ALA A 134 16.455 -11.036 -8.111 1.00 0.00 C ATOM 1832 C ALA A 134 17.376 -10.448 -7.035 1.00 0.00 C ATOM 1833 O ALA A 134 17.609 -11.057 -6.010 1.00 0.00 O ATOM 1834 CB ALA A 134 17.248 -11.331 -9.384 1.00 0.00 C ATOM 0 H ALA A 134 15.095 -10.157 -9.504 1.00 0.00 H new ATOM 0 HA ALA A 134 16.013 -11.930 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 134 18.043 -12.042 -9.161 1.00 0.00 H new ATOM 0 HB2 ALA A 134 16.583 -11.754 -10.137 1.00 0.00 H new ATOM 0 HB3 ALA A 134 17.684 -10.407 -9.763 1.00 0.00 H new ATOM 1840 N ASP A 135 17.906 -9.278 -7.256 1.00 0.00 N ATOM 1841 CA ASP A 135 18.811 -8.671 -6.236 1.00 0.00 C ATOM 1842 C ASP A 135 17.997 -8.191 -5.032 1.00 0.00 C ATOM 1843 O ASP A 135 16.805 -7.984 -5.124 1.00 0.00 O ATOM 1844 CB ASP A 135 19.474 -7.490 -6.945 1.00 0.00 C ATOM 1845 CG ASP A 135 20.724 -7.973 -7.682 1.00 0.00 C ATOM 1846 OD1 ASP A 135 21.527 -8.653 -7.065 1.00 0.00 O ATOM 1847 OD2 ASP A 135 20.858 -7.655 -8.853 1.00 0.00 O ATOM 0 H ASP A 135 17.754 -8.717 -8.094 1.00 0.00 H new ATOM 0 HA ASP A 135 19.547 -9.381 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 135 18.776 -7.037 -7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 135 19.741 -6.721 -6.221 1.00 0.00 H new ATOM 1852 N ALA A 136 18.632 -8.017 -3.904 1.00 0.00 N ATOM 1853 CA ALA A 136 17.892 -7.554 -2.693 1.00 0.00 C ATOM 1854 C ALA A 136 17.690 -6.039 -2.740 1.00 0.00 C ATOM 1855 O ALA A 136 18.516 -5.308 -3.249 1.00 0.00 O ATOM 1856 CB ALA A 136 18.785 -7.938 -1.513 1.00 0.00 C ATOM 0 H ALA A 136 19.630 -8.175 -3.768 1.00 0.00 H new ATOM 0 HA ALA A 136 16.901 -8.003 -2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 136 18.310 -7.630 -0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 136 18.933 -9.018 -1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 136 19.750 -7.440 -1.610 1.00 0.00 H new ATOM 1862 N TRP A 137 16.596 -5.560 -2.212 1.00 0.00 N ATOM 1863 CA TRP A 137 16.351 -4.092 -2.230 1.00 0.00 C ATOM 1864 C TRP A 137 15.407 -3.682 -1.107 1.00 0.00 C ATOM 1865 O TRP A 137 15.161 -4.425 -0.178 1.00 0.00 O ATOM 1866 CB TRP A 137 15.748 -3.798 -3.605 1.00 0.00 C ATOM 1867 CG TRP A 137 14.375 -4.389 -3.736 1.00 0.00 C ATOM 1868 CD1 TRP A 137 13.234 -3.669 -3.840 1.00 0.00 C ATOM 1869 CD2 TRP A 137 13.975 -5.794 -3.807 1.00 0.00 C ATOM 1870 NE1 TRP A 137 12.165 -4.537 -3.973 1.00 0.00 N ATOM 1871 CE2 TRP A 137 12.568 -5.853 -3.958 1.00 0.00 C ATOM 1872 CE3 TRP A 137 14.682 -7.008 -3.756 1.00 0.00 C ATOM 1873 CZ2 TRP A 137 11.889 -7.066 -4.059 1.00 0.00 C ATOM 1874 CZ3 TRP A 137 13.998 -8.234 -3.855 1.00 0.00 C ATOM 1875 CH2 TRP A 137 12.605 -8.261 -4.007 1.00 0.00 C ATOM 0 H TRP A 137 15.866 -6.119 -1.771 1.00 0.00 H new ATOM 0 HA TRP A 137 17.268 -3.525 -2.069 1.00 0.00 H new ATOM 0 HB2 TRP A 137 15.699 -2.720 -3.760 1.00 0.00 H new ATOM 0 HB3 TRP A 137 16.396 -4.202 -4.383 1.00 0.00 H new ATOM 0 HD1 TRP A 137 13.168 -2.591 -3.822 1.00 0.00 H new ATOM 0 HE1 TRP A 137 11.195 -4.238 -4.070 1.00 0.00 H new ATOM 0 HE3 TRP A 137 15.756 -7.000 -3.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 10.816 -7.080 -4.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 14.551 -9.161 -3.814 1.00 0.00 H new ATOM 0 HH2 TRP A 137 12.087 -9.206 -4.084 1.00 0.00 H new ATOM 1886 N THR A 138 14.909 -2.485 -1.174 1.00 0.00 N ATOM 1887 CA THR A 138 14.011 -1.987 -0.103 1.00 0.00 C ATOM 1888 C THR A 138 13.010 -0.991 -0.706 1.00 0.00 C ATOM 1889 O THR A 138 13.151 -0.573 -1.839 1.00 0.00 O ATOM 1890 CB THR A 138 14.990 -1.322 0.878 1.00 0.00 C ATOM 1891 OG1 THR A 138 15.126 -2.141 2.030 1.00 0.00 O ATOM 1892 CG2 THR A 138 14.499 0.069 1.300 1.00 0.00 C ATOM 0 H THR A 138 15.087 -1.824 -1.931 1.00 0.00 H new ATOM 0 HA THR A 138 13.406 -2.751 0.385 1.00 0.00 H new ATOM 0 HB THR A 138 15.952 -1.207 0.378 1.00 0.00 H new ATOM 0 HG1 THR A 138 14.295 -2.117 2.548 1.00 0.00 H new ATOM 0 HG21 THR A 138 15.214 0.512 1.994 1.00 0.00 H new ATOM 0 HG22 THR A 138 14.406 0.705 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 138 13.528 -0.020 1.787 1.00 0.00 H new ATOM 1900 N LEU A 139 12.001 -0.607 0.028 1.00 0.00 N ATOM 1901 CA LEU A 139 11.012 0.359 -0.543 1.00 0.00 C ATOM 1902 C LEU A 139 10.701 1.495 0.430 1.00 0.00 C ATOM 1903 O LEU A 139 10.150 1.285 1.489 1.00 0.00 O ATOM 1904 CB LEU A 139 9.751 -0.453 -0.812 1.00 0.00 C ATOM 1905 CG LEU A 139 9.792 -0.991 -2.239 1.00 0.00 C ATOM 1906 CD1 LEU A 139 10.432 -2.380 -2.251 1.00 0.00 C ATOM 1907 CD2 LEU A 139 8.368 -1.065 -2.785 1.00 0.00 C ATOM 0 H LEU A 139 11.818 -0.913 0.984 1.00 0.00 H new ATOM 0 HA LEU A 139 11.408 0.825 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 139 9.677 -1.277 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 139 8.867 0.169 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 139 10.387 -0.327 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 139 10.459 -2.759 -3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 139 11.448 -2.316 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 139 9.846 -3.056 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 139 8.389 -1.449 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 139 7.773 -1.730 -2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 139 7.925 -0.069 -2.781 1.00 0.00 H new ATOM 1919 N CYS A 140 11.026 2.702 0.052 1.00 0.00 N ATOM 1920 CA CYS A 140 10.737 3.878 0.929 1.00 0.00 C ATOM 1921 C CYS A 140 9.503 4.638 0.441 1.00 0.00 C ATOM 1922 O CYS A 140 9.537 5.310 -0.571 1.00 0.00 O ATOM 1923 CB CYS A 140 11.967 4.784 0.832 1.00 0.00 C ATOM 1924 SG CYS A 140 12.965 4.644 2.336 1.00 0.00 S ATOM 0 H CYS A 140 11.482 2.927 -0.832 1.00 0.00 H new ATOM 0 HA CYS A 140 10.537 3.559 1.952 1.00 0.00 H new ATOM 0 HB2 CYS A 140 12.564 4.507 -0.037 1.00 0.00 H new ATOM 0 HB3 CYS A 140 11.656 5.819 0.688 1.00 0.00 H new ATOM 1929 N LEU A 141 8.425 4.564 1.168 1.00 0.00 N ATOM 1930 CA LEU A 141 7.205 5.314 0.761 1.00 0.00 C ATOM 1931 C LEU A 141 7.113 6.591 1.598 1.00 0.00 C ATOM 1932 O LEU A 141 7.965 6.858 2.422 1.00 0.00 O ATOM 1933 CB LEU A 141 6.029 4.384 1.061 1.00 0.00 C ATOM 1934 CG LEU A 141 6.161 3.099 0.240 1.00 0.00 C ATOM 1935 CD1 LEU A 141 5.967 1.898 1.161 1.00 0.00 C ATOM 1936 CD2 LEU A 141 5.094 3.069 -0.862 1.00 0.00 C ATOM 0 H LEU A 141 8.335 4.018 2.025 1.00 0.00 H new ATOM 0 HA LEU A 141 7.215 5.601 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 141 6.004 4.146 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 141 5.089 4.883 0.824 1.00 0.00 H new ATOM 0 HG LEU A 141 7.149 3.063 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 141 6.060 0.978 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 141 6.726 1.913 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 141 4.977 1.944 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 141 5.195 2.151 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 141 4.103 3.105 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 141 5.225 3.929 -1.519 1.00 0.00 H new ATOM 1948 N ASP A 142 6.094 7.379 1.402 1.00 0.00 N ATOM 1949 CA ASP A 142 5.961 8.640 2.200 1.00 0.00 C ATOM 1950 C ASP A 142 4.890 9.547 1.593 1.00 0.00 C ATOM 1951 O ASP A 142 5.151 10.679 1.236 1.00 0.00 O ATOM 1952 CB ASP A 142 7.331 9.328 2.132 1.00 0.00 C ATOM 1953 CG ASP A 142 7.936 9.154 0.736 1.00 0.00 C ATOM 1954 OD1 ASP A 142 7.185 8.864 -0.181 1.00 0.00 O ATOM 1955 OD2 ASP A 142 9.138 9.313 0.609 1.00 0.00 O ATOM 0 H ASP A 142 5.348 7.210 0.728 1.00 0.00 H new ATOM 0 HA ASP A 142 5.664 8.429 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 142 7.226 10.388 2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 142 7.998 8.903 2.882 1.00 0.00 H new ATOM 1960 N ASP A 143 3.686 9.061 1.475 1.00 0.00 N ATOM 1961 CA ASP A 143 2.592 9.894 0.894 1.00 0.00 C ATOM 1962 C ASP A 143 1.386 9.011 0.578 1.00 0.00 C ATOM 1963 O ASP A 143 0.791 9.112 -0.475 1.00 0.00 O ATOM 1964 CB ASP A 143 3.171 10.487 -0.393 1.00 0.00 C ATOM 1965 CG ASP A 143 3.433 11.981 -0.194 1.00 0.00 C ATOM 1966 OD1 ASP A 143 2.540 12.660 0.284 1.00 0.00 O ATOM 1967 OD2 ASP A 143 4.523 12.420 -0.524 1.00 0.00 O ATOM 0 H ASP A 143 3.410 8.120 1.756 1.00 0.00 H new ATOM 0 HA ASP A 143 2.257 10.673 1.579 1.00 0.00 H new ATOM 0 HB2 ASP A 143 4.097 9.977 -0.657 1.00 0.00 H new ATOM 0 HB3 ASP A 143 2.477 10.336 -1.220 1.00 0.00 H new ATOM 1972 N VAL A 144 1.028 8.140 1.481 1.00 0.00 N ATOM 1973 CA VAL A 144 -0.136 7.242 1.227 1.00 0.00 C ATOM 1974 C VAL A 144 -1.426 7.896 1.724 1.00 0.00 C ATOM 1975 O VAL A 144 -1.614 8.105 2.906 1.00 0.00 O ATOM 1976 CB VAL A 144 0.151 5.956 2.012 1.00 0.00 C ATOM 1977 CG1 VAL A 144 -0.594 4.794 1.356 1.00 0.00 C ATOM 1978 CG2 VAL A 144 1.654 5.656 2.004 1.00 0.00 C ATOM 0 H VAL A 144 1.489 8.011 2.382 1.00 0.00 H new ATOM 0 HA VAL A 144 -0.267 7.040 0.164 1.00 0.00 H new ATOM 0 HB VAL A 144 -0.182 6.084 3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.395 3.876 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -1.665 4.997 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.254 4.679 0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 144 1.845 4.741 2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 144 1.994 5.530 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 144 2.193 6.483 2.466 1.00 0.00 H new ATOM 1988 N ALA A 145 -2.316 8.222 0.828 1.00 0.00 N ATOM 1989 CA ALA A 145 -3.595 8.864 1.245 1.00 0.00 C ATOM 1990 C ALA A 145 -4.736 8.410 0.331 1.00 0.00 C ATOM 1991 O ALA A 145 -4.521 8.021 -0.801 1.00 0.00 O ATOM 1992 CB ALA A 145 -3.352 10.366 1.094 1.00 0.00 C ATOM 0 H ALA A 145 -2.213 8.072 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 145 -3.878 8.598 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -4.251 10.911 1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -2.523 10.667 1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -3.108 10.593 0.056 1.00 0.00 H new ATOM 1998 N LEU A 146 -5.947 8.455 0.814 1.00 0.00 N ATOM 1999 CA LEU A 146 -7.102 8.025 -0.025 1.00 0.00 C ATOM 2000 C LEU A 146 -8.380 8.732 0.434 1.00 0.00 C ATOM 2001 O LEU A 146 -8.767 8.651 1.582 1.00 0.00 O ATOM 2002 CB LEU A 146 -7.212 6.517 0.200 1.00 0.00 C ATOM 2003 CG LEU A 146 -8.458 5.983 -0.507 1.00 0.00 C ATOM 2004 CD1 LEU A 146 -8.135 5.712 -1.978 1.00 0.00 C ATOM 2005 CD2 LEU A 146 -8.905 4.683 0.164 1.00 0.00 C ATOM 0 H LEU A 146 -6.187 8.771 1.754 1.00 0.00 H new ATOM 0 HA LEU A 146 -6.964 8.271 -1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -6.322 6.016 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -7.266 6.301 1.267 1.00 0.00 H new ATOM 0 HG LEU A 146 -9.257 6.721 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -9.024 5.331 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -7.815 6.638 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -7.336 4.974 -2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -9.793 4.301 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -8.105 3.946 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -9.136 4.875 1.212 1.00 0.00 H new ATOM 2017 N ASP A 147 -9.037 9.427 -0.455 1.00 0.00 N ATOM 2018 CA ASP A 147 -10.289 10.139 -0.069 1.00 0.00 C ATOM 2019 C ASP A 147 -11.367 9.934 -1.137 1.00 0.00 C ATOM 2020 O ASP A 147 -11.076 9.818 -2.311 1.00 0.00 O ATOM 2021 CB ASP A 147 -9.894 11.614 0.018 1.00 0.00 C ATOM 2022 CG ASP A 147 -10.864 12.348 0.945 1.00 0.00 C ATOM 2023 OD1 ASP A 147 -11.207 11.789 1.974 1.00 0.00 O ATOM 2024 OD2 ASP A 147 -11.248 13.456 0.611 1.00 0.00 O ATOM 0 H ASP A 147 -8.761 9.532 -1.431 1.00 0.00 H new ATOM 0 HA ASP A 147 -10.700 9.770 0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -8.875 11.707 0.393 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -9.911 12.065 -0.974 1.00 0.00 H new ATOM 2029 N SER A 148 -12.609 9.890 -0.738 1.00 0.00 N ATOM 2030 CA SER A 148 -13.704 9.692 -1.731 1.00 0.00 C ATOM 2031 C SER A 148 -14.478 10.999 -1.933 1.00 0.00 C ATOM 2032 O SER A 148 -15.153 11.477 -1.042 1.00 0.00 O ATOM 2033 CB SER A 148 -14.604 8.618 -1.117 1.00 0.00 C ATOM 2034 OG SER A 148 -15.843 9.200 -0.732 1.00 0.00 O ATOM 0 H SER A 148 -12.913 9.982 0.231 1.00 0.00 H new ATOM 0 HA SER A 148 -13.328 9.395 -2.710 1.00 0.00 H new ATOM 0 HB2 SER A 148 -14.774 7.817 -1.836 1.00 0.00 H new ATOM 0 HB3 SER A 148 -14.116 8.171 -0.251 1.00 0.00 H new ATOM 0 HG SER A 148 -15.675 10.034 -0.245 1.00 0.00 H new