USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 687 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 36 GLN : amide:sc= -1.02 K(o=-2.8,f=-3.8!) USER MOD Set 1.2: A 60 ASN :FLIP amide:sc= -1.79 F(o=-3.8,f=-2.8) USER MOD Set 2.1: A 46 ASN : amide:sc= -0.66 K(o=-2,f=-5.9) USER MOD Set 2.2: A 47 ASN : amide:sc= -1.39 K(o=-2,f=-5.8!) USER MOD Set 3.1: A 40 MET CE :methyl -118:sc= -1.59 (180deg=-5.4!) USER MOD Set 3.2: A 41 TYR OH : rot 30:sc= -0.355 USER MOD Set 4.1: A 16 HIS : no HD1:sc= 0.353 K(o=0.46,f=-0.38) USER MOD Set 4.2: A 18 LYS NZ :NH3+ 147:sc= 0.111 (180deg=-0.316) USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0101 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.171 K(o=-0.17,f=-3!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.224 F(o=-1.2,f=-0.22) USER MOD Single : A 35 CYS SG : rot 31:sc= 0.549 USER MOD Single : A 43 TYR OH : rot -91:sc= 0.187 USER MOD Single : A 52 SER OG : rot 180:sc= -0.647 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.09) USER MOD Single : A 57 GLN : amide:sc= -0.669 K(o=-0.67,f=-5.5!) USER MOD Single : A 62 MET CE :methyl 135:sc= -4.13! (180deg=-7.39!) USER MOD Single : A 63 ASN : amide:sc= -0.446 K(o=-0.45,f=-9.3!) USER MOD Single : A 64 LYS NZ :NH3+ -136:sc= -0.0108 (180deg=-0.461) USER MOD Single : A 71 GLN : amide:sc= -0.349 K(o=-0.35,f=-3) USER MOD Single : A 75 ASN : amide:sc= -0.0528 X(o=-0.053,f=-0.41) USER MOD Single : A 78 THR OG1 : rot -82:sc= 0.161 USER MOD Single : A 83 SER OG : rot 178:sc= 1.01 USER MOD Single : A 84 ASN :FLIP amide:sc= -3.5! C(o=-4.7!,f=-3.5!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -111:sc= -0.0125 (180deg=-0.0943) USER MOD Single : A 89 THR OG1 : rot -75:sc= 0.804 USER MOD Single : A 90 THR OG1 : rot 68:sc= 1 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.991 17.080 -0.814 1.00 0.00 N ATOM 2 CA GLY A 1 -26.819 16.299 0.087 1.00 0.00 C ATOM 3 C GLY A 1 -26.022 15.263 0.854 1.00 0.00 C ATOM 4 O GLY A 1 -24.871 15.502 1.222 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.336 18.061 -0.841 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.007 17.069 -0.479 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.036 16.671 -1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.314 16.967 0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.602 15.801 -0.484 1.00 0.00 H new ATOM 8 N SER A 2 -26.635 14.109 1.098 1.00 0.00 N ATOM 9 CA SER A 2 -25.977 13.034 1.832 1.00 0.00 C ATOM 10 C SER A 2 -26.055 11.721 1.060 1.00 0.00 C ATOM 11 O SER A 2 -27.129 11.307 0.624 1.00 0.00 O ATOM 12 CB SER A 2 -26.615 12.866 3.213 1.00 0.00 C ATOM 13 OG SER A 2 -26.178 13.877 4.103 1.00 0.00 O ATOM 0 H SER A 2 -27.586 13.894 0.798 1.00 0.00 H new ATOM 0 HA SER A 2 -24.927 13.301 1.954 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.701 12.902 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.361 11.886 3.618 1.00 0.00 H new ATOM 0 HG SER A 2 -26.601 13.748 4.977 1.00 0.00 H new ATOM 19 N SER A 3 -24.908 11.070 0.893 1.00 0.00 N ATOM 20 CA SER A 3 -24.845 9.806 0.170 1.00 0.00 C ATOM 21 C SER A 3 -23.748 8.910 0.737 1.00 0.00 C ATOM 22 O SER A 3 -22.603 9.334 0.893 1.00 0.00 O ATOM 23 CB SER A 3 -24.595 10.057 -1.319 1.00 0.00 C ATOM 24 OG SER A 3 -25.671 10.770 -1.903 1.00 0.00 O ATOM 0 H SER A 3 -24.010 11.398 1.249 1.00 0.00 H new ATOM 0 HA SER A 3 -25.803 9.299 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.670 10.620 -1.446 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.463 9.106 -1.834 1.00 0.00 H new ATOM 0 HG SER A 3 -25.487 10.919 -2.854 1.00 0.00 H new ATOM 30 N GLY A 4 -24.107 7.667 1.044 1.00 0.00 N ATOM 31 CA GLY A 4 -23.143 6.730 1.590 1.00 0.00 C ATOM 32 C GLY A 4 -22.519 5.851 0.524 1.00 0.00 C ATOM 33 O GLY A 4 -22.701 4.634 0.529 1.00 0.00 O ATOM 0 H GLY A 4 -25.048 7.293 0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.358 7.282 2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.633 6.101 2.333 1.00 0.00 H new ATOM 37 N SER A 5 -21.784 6.470 -0.394 1.00 0.00 N ATOM 38 CA SER A 5 -21.135 5.737 -1.475 1.00 0.00 C ATOM 39 C SER A 5 -19.632 6.000 -1.485 1.00 0.00 C ATOM 40 O SER A 5 -19.190 7.142 -1.365 1.00 0.00 O ATOM 41 CB SER A 5 -21.742 6.132 -2.823 1.00 0.00 C ATOM 42 OG SER A 5 -22.868 5.328 -3.130 1.00 0.00 O ATOM 0 H SER A 5 -21.623 7.477 -0.411 1.00 0.00 H new ATOM 0 HA SER A 5 -21.299 4.672 -1.308 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.036 7.181 -2.800 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.992 6.028 -3.607 1.00 0.00 H new ATOM 0 HG SER A 5 -23.239 5.601 -3.995 1.00 0.00 H new ATOM 48 N SER A 6 -18.853 4.933 -1.628 1.00 0.00 N ATOM 49 CA SER A 6 -17.399 5.046 -1.649 1.00 0.00 C ATOM 50 C SER A 6 -16.963 6.309 -2.385 1.00 0.00 C ATOM 51 O SER A 6 -17.088 6.405 -3.605 1.00 0.00 O ATOM 52 CB SER A 6 -16.780 3.815 -2.315 1.00 0.00 C ATOM 53 OG SER A 6 -15.408 4.025 -2.599 1.00 0.00 O ATOM 0 H SER A 6 -19.204 3.981 -1.731 1.00 0.00 H new ATOM 0 HA SER A 6 -17.049 5.107 -0.618 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.891 2.950 -1.662 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.315 3.589 -3.237 1.00 0.00 H new ATOM 0 HG SER A 6 -15.035 3.224 -3.023 1.00 0.00 H new ATOM 59 N GLY A 7 -16.451 7.278 -1.632 1.00 0.00 N ATOM 60 CA GLY A 7 -16.004 8.524 -2.229 1.00 0.00 C ATOM 61 C GLY A 7 -15.182 9.363 -1.272 1.00 0.00 C ATOM 62 O GLY A 7 -15.402 10.567 -1.147 1.00 0.00 O ATOM 0 H GLY A 7 -16.338 7.223 -0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.411 8.306 -3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.871 9.097 -2.558 1.00 0.00 H new ATOM 66 N GLN A 8 -14.234 8.725 -0.593 1.00 0.00 N ATOM 67 CA GLN A 8 -13.377 9.422 0.360 1.00 0.00 C ATOM 68 C GLN A 8 -12.352 10.290 -0.362 1.00 0.00 C ATOM 69 O GLN A 8 -11.860 9.929 -1.432 1.00 0.00 O ATOM 70 CB GLN A 8 -12.665 8.417 1.267 1.00 0.00 C ATOM 71 CG GLN A 8 -12.268 8.991 2.617 1.00 0.00 C ATOM 72 CD GLN A 8 -13.422 9.024 3.599 1.00 0.00 C ATOM 73 OE1 GLN A 8 -14.519 9.475 3.271 1.00 0.00 O ATOM 74 NE2 GLN A 8 -13.180 8.543 4.814 1.00 0.00 N ATOM 0 H GLN A 8 -14.040 7.728 -0.685 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.007 10.069 0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.316 7.557 1.424 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.772 8.052 0.760 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.456 8.396 3.036 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.884 10.002 2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.255 8.179 5.043 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.919 8.538 5.517 1.00 0.00 H new ATOM 83 N LYS A 9 -12.033 11.436 0.229 1.00 0.00 N ATOM 84 CA LYS A 9 -11.066 12.356 -0.357 1.00 0.00 C ATOM 85 C LYS A 9 -10.017 12.770 0.671 1.00 0.00 C ATOM 86 O LYS A 9 -9.443 13.855 0.584 1.00 0.00 O ATOM 87 CB LYS A 9 -11.776 13.596 -0.904 1.00 0.00 C ATOM 88 CG LYS A 9 -12.641 14.305 0.124 1.00 0.00 C ATOM 89 CD LYS A 9 -11.836 15.307 0.934 1.00 0.00 C ATOM 90 CE LYS A 9 -12.739 16.213 1.756 1.00 0.00 C ATOM 91 NZ LYS A 9 -13.011 15.647 3.107 1.00 0.00 N ATOM 0 H LYS A 9 -12.430 11.750 1.114 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.564 11.842 -1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.030 14.295 -1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.398 13.305 -1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.460 14.818 -0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.088 13.570 0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.152 14.776 1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.225 15.912 0.264 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.273 17.193 1.860 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.681 16.362 1.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.630 16.294 3.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.479 14.723 3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.114 15.528 3.621 1.00 0.00 H new ATOM 105 N GLY A 10 -9.772 11.898 1.644 1.00 0.00 N ATOM 106 CA GLY A 10 -8.792 12.191 2.673 1.00 0.00 C ATOM 107 C GLY A 10 -7.368 12.111 2.158 1.00 0.00 C ATOM 108 O GLY A 10 -6.741 13.135 1.887 1.00 0.00 O ATOM 0 H GLY A 10 -10.235 10.994 1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.975 13.189 3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.916 11.490 3.499 1.00 0.00 H new ATOM 112 N TRP A 11 -6.857 10.893 2.025 1.00 0.00 N ATOM 113 CA TRP A 11 -5.497 10.684 1.541 1.00 0.00 C ATOM 114 C TRP A 11 -5.339 11.207 0.118 1.00 0.00 C ATOM 115 O TRP A 11 -6.323 11.389 -0.599 1.00 0.00 O ATOM 116 CB TRP A 11 -5.138 9.198 1.594 1.00 0.00 C ATOM 117 CG TRP A 11 -5.479 8.459 0.335 1.00 0.00 C ATOM 118 CD1 TRP A 11 -6.650 8.528 -0.364 1.00 0.00 C ATOM 119 CD2 TRP A 11 -4.640 7.540 -0.373 1.00 0.00 C ATOM 120 NE1 TRP A 11 -6.590 7.707 -1.464 1.00 0.00 N ATOM 121 CE2 TRP A 11 -5.367 7.090 -1.493 1.00 0.00 C ATOM 122 CE3 TRP A 11 -3.346 7.054 -0.172 1.00 0.00 C ATOM 123 CZ2 TRP A 11 -4.842 6.178 -2.404 1.00 0.00 C ATOM 124 CZ3 TRP A 11 -2.825 6.149 -1.077 1.00 0.00 C ATOM 125 CH2 TRP A 11 -3.572 5.719 -2.182 1.00 0.00 C ATOM 0 H TRP A 11 -7.363 10.035 2.245 1.00 0.00 H new ATOM 0 HA TRP A 11 -4.818 11.238 2.189 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.070 9.096 1.789 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.660 8.735 2.431 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.499 9.138 -0.092 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -7.335 7.578 -2.148 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.763 7.380 0.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -5.416 5.844 -3.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -1.826 5.767 -0.930 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.137 5.011 -2.872 1.00 0.00 H new ATOM 136 N PHE A 12 -4.096 11.448 -0.285 1.00 0.00 N ATOM 137 CA PHE A 12 -3.811 11.952 -1.623 1.00 0.00 C ATOM 138 C PHE A 12 -3.121 10.887 -2.470 1.00 0.00 C ATOM 139 O PHE A 12 -1.913 10.667 -2.374 1.00 0.00 O ATOM 140 CB PHE A 12 -2.933 13.203 -1.543 1.00 0.00 C ATOM 141 CG PHE A 12 -3.480 14.261 -0.628 1.00 0.00 C ATOM 142 CD1 PHE A 12 -4.514 15.086 -1.040 1.00 0.00 C ATOM 143 CD2 PHE A 12 -2.960 14.431 0.645 1.00 0.00 C ATOM 144 CE1 PHE A 12 -5.018 16.061 -0.200 1.00 0.00 C ATOM 145 CE2 PHE A 12 -3.460 15.404 1.490 1.00 0.00 C ATOM 146 CZ PHE A 12 -4.491 16.219 1.067 1.00 0.00 C ATOM 0 H PHE A 12 -3.270 11.302 0.296 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.758 12.210 -2.096 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.938 12.918 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.819 13.622 -2.543 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.931 14.966 -2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.154 13.795 0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.823 16.699 -0.534 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.045 15.526 2.479 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.885 16.979 1.726 1.00 0.00 H new ATOM 156 N PRO A 13 -3.905 10.207 -3.320 1.00 0.00 N ATOM 157 CA PRO A 13 -3.392 9.153 -4.200 1.00 0.00 C ATOM 158 C PRO A 13 -2.503 9.706 -5.308 1.00 0.00 C ATOM 159 O PRO A 13 -2.747 10.794 -5.829 1.00 0.00 O ATOM 160 CB PRO A 13 -4.662 8.536 -4.791 1.00 0.00 C ATOM 161 CG PRO A 13 -5.679 9.622 -4.721 1.00 0.00 C ATOM 162 CD PRO A 13 -5.353 10.417 -3.487 1.00 0.00 C ATOM 0 HA PRO A 13 -2.766 8.441 -3.662 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.502 8.209 -5.818 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.978 7.661 -4.223 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.641 10.250 -5.611 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.687 9.210 -4.665 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.594 11.472 -3.613 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.913 10.063 -2.621 1.00 0.00 H new ATOM 170 N ALA A 14 -1.471 8.948 -5.665 1.00 0.00 N ATOM 171 CA ALA A 14 -0.546 9.362 -6.714 1.00 0.00 C ATOM 172 C ALA A 14 -0.281 10.862 -6.652 1.00 0.00 C ATOM 173 O ALA A 14 -0.126 11.517 -7.683 1.00 0.00 O ATOM 174 CB ALA A 14 -1.092 8.976 -8.081 1.00 0.00 C ATOM 0 H ALA A 14 -1.254 8.045 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 14 0.401 8.846 -6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.392 9.291 -8.855 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.223 7.895 -8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.053 9.465 -8.240 1.00 0.00 H new ATOM 180 N SER A 15 -0.232 11.400 -5.438 1.00 0.00 N ATOM 181 CA SER A 15 0.009 12.825 -5.243 1.00 0.00 C ATOM 182 C SER A 15 1.386 13.064 -4.630 1.00 0.00 C ATOM 183 O SER A 15 1.823 12.322 -3.749 1.00 0.00 O ATOM 184 CB SER A 15 -1.073 13.429 -4.345 1.00 0.00 C ATOM 185 OG SER A 15 -1.150 14.834 -4.514 1.00 0.00 O ATOM 0 H SER A 15 -0.356 10.871 -4.575 1.00 0.00 H new ATOM 0 HA SER A 15 -0.025 13.311 -6.218 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.037 12.978 -4.579 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.856 13.196 -3.302 1.00 0.00 H new ATOM 0 HG SER A 15 -1.850 15.196 -3.931 1.00 0.00 H new ATOM 191 N HIS A 16 2.065 14.104 -5.102 1.00 0.00 N ATOM 192 CA HIS A 16 3.392 14.442 -4.601 1.00 0.00 C ATOM 193 C HIS A 16 3.376 15.791 -3.888 1.00 0.00 C ATOM 194 O HIS A 16 2.656 16.707 -4.285 1.00 0.00 O ATOM 195 CB HIS A 16 4.402 14.471 -5.749 1.00 0.00 C ATOM 196 CG HIS A 16 5.817 14.263 -5.307 1.00 0.00 C ATOM 197 ND1 HIS A 16 6.569 15.247 -4.701 1.00 0.00 N ATOM 198 CD2 HIS A 16 6.618 13.174 -5.385 1.00 0.00 C ATOM 199 CE1 HIS A 16 7.771 14.773 -4.426 1.00 0.00 C ATOM 200 NE2 HIS A 16 7.827 13.517 -4.831 1.00 0.00 N ATOM 0 H HIS A 16 1.718 14.727 -5.831 1.00 0.00 H new ATOM 0 HA HIS A 16 3.689 13.676 -3.885 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.139 13.700 -6.473 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.328 15.429 -6.263 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.355 12.214 -5.805 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.572 15.320 -3.951 1.00 0.00 H new ATOM 0 HE2 HIS A 16 8.636 12.902 -4.746 1.00 0.00 H new ATOM 209 N VAL A 17 4.176 15.906 -2.832 1.00 0.00 N ATOM 210 CA VAL A 17 4.254 17.143 -2.064 1.00 0.00 C ATOM 211 C VAL A 17 5.528 17.913 -2.390 1.00 0.00 C ATOM 212 O VAL A 17 6.625 17.355 -2.377 1.00 0.00 O ATOM 213 CB VAL A 17 4.208 16.866 -0.549 1.00 0.00 C ATOM 214 CG1 VAL A 17 2.842 16.335 -0.144 1.00 0.00 C ATOM 215 CG2 VAL A 17 5.307 15.892 -0.152 1.00 0.00 C ATOM 0 H VAL A 17 4.779 15.158 -2.489 1.00 0.00 H new ATOM 0 HA VAL A 17 3.389 17.744 -2.343 1.00 0.00 H new ATOM 0 HB VAL A 17 4.377 17.804 -0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.829 16.145 0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.077 17.071 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.639 15.407 -0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.260 15.708 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.172 14.952 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.278 16.317 -0.405 1.00 0.00 H new ATOM 225 N LYS A 18 5.376 19.200 -2.683 1.00 0.00 N ATOM 226 CA LYS A 18 6.514 20.050 -3.012 1.00 0.00 C ATOM 227 C LYS A 18 7.062 20.734 -1.763 1.00 0.00 C ATOM 228 O LYS A 18 8.124 21.356 -1.798 1.00 0.00 O ATOM 229 CB LYS A 18 6.109 21.103 -4.046 1.00 0.00 C ATOM 230 CG LYS A 18 6.311 20.653 -5.483 1.00 0.00 C ATOM 231 CD LYS A 18 5.074 19.959 -6.029 1.00 0.00 C ATOM 232 CE LYS A 18 5.122 18.459 -5.781 1.00 0.00 C ATOM 233 NZ LYS A 18 6.173 17.794 -6.601 1.00 0.00 N ATOM 0 H LYS A 18 4.475 19.678 -2.699 1.00 0.00 H new ATOM 0 HA LYS A 18 7.297 19.419 -3.433 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.060 21.360 -3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.687 22.011 -3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.550 21.516 -6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.163 19.975 -5.537 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.184 20.378 -5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.991 20.150 -7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.313 18.272 -4.724 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.151 18.022 -6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.567 16.989 -6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.756 17.454 -7.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.931 18.474 -6.812 1.00 0.00 H new ATOM 247 N LEU A 19 6.331 20.614 -0.660 1.00 0.00 N ATOM 248 CA LEU A 19 6.744 21.219 0.601 1.00 0.00 C ATOM 249 C LEU A 19 6.961 20.154 1.671 1.00 0.00 C ATOM 250 O LEU A 19 6.136 19.256 1.846 1.00 0.00 O ATOM 251 CB LEU A 19 5.694 22.226 1.074 1.00 0.00 C ATOM 252 CG LEU A 19 5.827 23.645 0.518 1.00 0.00 C ATOM 253 CD1 LEU A 19 7.147 24.266 0.947 1.00 0.00 C ATOM 254 CD2 LEU A 19 5.708 23.636 -0.999 1.00 0.00 C ATOM 0 H LEU A 19 5.449 20.103 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 19 7.688 21.738 0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.708 21.844 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.734 22.278 2.162 1.00 0.00 H new ATOM 0 HG LEU A 19 5.016 24.251 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.223 25.275 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.193 24.308 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.973 23.661 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.805 24.654 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.497 23.015 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.736 23.233 -1.285 1.00 0.00 H new ATOM 266 N LEU A 20 8.076 20.260 2.386 1.00 0.00 N ATOM 267 CA LEU A 20 8.401 19.307 3.442 1.00 0.00 C ATOM 268 C LEU A 20 8.175 19.922 4.819 1.00 0.00 C ATOM 269 O LEU A 20 8.410 21.112 5.026 1.00 0.00 O ATOM 270 CB LEU A 20 9.853 18.846 3.309 1.00 0.00 C ATOM 271 CG LEU A 20 10.918 19.936 3.434 1.00 0.00 C ATOM 272 CD1 LEU A 20 11.064 20.377 4.882 1.00 0.00 C ATOM 273 CD2 LEU A 20 12.251 19.445 2.888 1.00 0.00 C ATOM 0 H LEU A 20 8.770 20.996 2.254 1.00 0.00 H new ATOM 0 HA LEU A 20 7.741 18.446 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.044 18.090 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.971 18.360 2.341 1.00 0.00 H new ATOM 0 HG LEU A 20 10.600 20.796 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.826 21.153 4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.113 20.770 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.358 19.524 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.997 20.234 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.574 18.569 3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.138 19.180 1.837 1.00 0.00 H new ATOM 285 N GLY A 21 7.718 19.101 5.760 1.00 0.00 N ATOM 286 CA GLY A 21 7.469 19.581 7.107 1.00 0.00 C ATOM 287 C GLY A 21 6.926 18.499 8.018 1.00 0.00 C ATOM 288 O GLY A 21 6.159 17.632 7.599 1.00 0.00 O ATOM 0 H GLY A 21 7.516 18.112 5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.395 19.973 7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.761 20.409 7.069 1.00 0.00 H new ATOM 292 N PRO A 22 7.329 18.538 9.297 1.00 0.00 N ATOM 293 CA PRO A 22 6.890 17.560 10.296 1.00 0.00 C ATOM 294 C PRO A 22 5.416 17.716 10.653 1.00 0.00 C ATOM 295 O PRO A 22 4.991 18.768 11.131 1.00 0.00 O ATOM 296 CB PRO A 22 7.770 17.872 11.509 1.00 0.00 C ATOM 297 CG PRO A 22 8.142 19.305 11.348 1.00 0.00 C ATOM 298 CD PRO A 22 8.243 19.543 9.866 1.00 0.00 C ATOM 0 HA PRO A 22 6.987 16.537 9.934 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.232 17.705 12.442 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.653 17.234 11.532 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.392 19.956 11.797 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.089 19.520 11.843 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.942 20.556 9.600 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.263 19.409 9.506 1.00 0.00 H new ATOM 306 N SER A 23 4.640 16.663 10.418 1.00 0.00 N ATOM 307 CA SER A 23 3.212 16.685 10.712 1.00 0.00 C ATOM 308 C SER A 23 2.862 15.659 11.786 1.00 0.00 C ATOM 309 O SER A 23 3.660 14.776 12.100 1.00 0.00 O ATOM 310 CB SER A 23 2.404 16.407 9.443 1.00 0.00 C ATOM 311 OG SER A 23 2.225 17.589 8.682 1.00 0.00 O ATOM 0 H SER A 23 4.976 15.784 10.025 1.00 0.00 H new ATOM 0 HA SER A 23 2.959 17.677 11.086 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.915 15.657 8.840 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.432 15.993 9.711 1.00 0.00 H new ATOM 0 HG SER A 23 1.707 17.384 7.876 1.00 0.00 H new ATOM 317 N SER A 24 1.663 15.784 12.346 1.00 0.00 N ATOM 318 CA SER A 24 1.208 14.871 13.388 1.00 0.00 C ATOM 319 C SER A 24 0.364 13.746 12.794 1.00 0.00 C ATOM 320 O SER A 24 -0.663 13.994 12.162 1.00 0.00 O ATOM 321 CB SER A 24 0.399 15.629 14.442 1.00 0.00 C ATOM 322 OG SER A 24 1.213 16.553 15.142 1.00 0.00 O ATOM 0 H SER A 24 0.990 16.508 12.096 1.00 0.00 H new ATOM 0 HA SER A 24 2.086 14.432 13.861 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.425 16.156 13.962 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.041 14.922 15.145 1.00 0.00 H new ATOM 0 HG SER A 24 0.672 17.026 15.809 1.00 0.00 H new ATOM 328 N GLU A 25 0.805 12.510 13.003 1.00 0.00 N ATOM 329 CA GLU A 25 0.091 11.348 12.488 1.00 0.00 C ATOM 330 C GLU A 25 -0.373 10.446 13.627 1.00 0.00 C ATOM 331 O GLU A 25 0.441 9.868 14.347 1.00 0.00 O ATOM 332 CB GLU A 25 0.984 10.557 11.529 1.00 0.00 C ATOM 333 CG GLU A 25 0.320 9.311 10.966 1.00 0.00 C ATOM 334 CD GLU A 25 0.476 8.107 11.874 1.00 0.00 C ATOM 335 OE1 GLU A 25 1.535 7.990 12.526 1.00 0.00 O ATOM 336 OE2 GLU A 25 -0.458 7.281 11.931 1.00 0.00 O ATOM 0 H GLU A 25 1.653 12.288 13.525 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.787 11.703 11.948 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.280 11.205 10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.896 10.268 12.051 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.740 9.508 10.809 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.750 9.084 9.990 1.00 0.00 H new ATOM 343 N ARG A 26 -1.688 10.331 13.785 1.00 0.00 N ATOM 344 CA ARG A 26 -2.262 9.502 14.838 1.00 0.00 C ATOM 345 C ARG A 26 -2.854 8.220 14.258 1.00 0.00 C ATOM 346 O ARG A 26 -3.913 8.241 13.632 1.00 0.00 O ATOM 347 CB ARG A 26 -3.341 10.277 15.596 1.00 0.00 C ATOM 348 CG ARG A 26 -3.644 9.710 16.973 1.00 0.00 C ATOM 349 CD ARG A 26 -4.100 10.796 17.934 1.00 0.00 C ATOM 350 NE ARG A 26 -4.643 10.240 19.171 1.00 0.00 N ATOM 351 CZ ARG A 26 -4.985 10.979 20.221 1.00 0.00 C ATOM 352 NH1 ARG A 26 -4.841 12.296 20.184 1.00 0.00 N ATOM 353 NH2 ARG A 26 -5.472 10.399 21.311 1.00 0.00 N ATOM 0 H ARG A 26 -2.376 10.802 13.197 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.464 9.233 15.530 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.025 11.315 15.701 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.257 10.281 15.005 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.418 8.947 16.891 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.754 9.221 17.370 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.259 11.449 18.168 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.858 11.413 17.451 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.766 9.229 19.232 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.467 12.745 19.348 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.104 12.861 20.992 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.584 9.386 21.343 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.734 10.967 22.117 1.00 0.00 H new ATOM 367 N ALA A 27 -2.161 7.106 14.471 1.00 0.00 N ATOM 368 CA ALA A 27 -2.618 5.815 13.972 1.00 0.00 C ATOM 369 C ALA A 27 -3.845 5.332 14.739 1.00 0.00 C ATOM 370 O ALA A 27 -4.054 5.705 15.894 1.00 0.00 O ATOM 371 CB ALA A 27 -1.499 4.788 14.061 1.00 0.00 C ATOM 0 H ALA A 27 -1.281 7.072 14.986 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.901 5.938 12.927 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.855 3.829 13.685 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.651 5.121 13.462 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.188 4.678 15.100 1.00 0.00 H new ATOM 377 N THR A 28 -4.654 4.501 14.090 1.00 0.00 N ATOM 378 CA THR A 28 -5.861 3.969 14.710 1.00 0.00 C ATOM 379 C THR A 28 -5.634 2.554 15.229 1.00 0.00 C ATOM 380 O THR A 28 -5.026 1.714 14.566 1.00 0.00 O ATOM 381 CB THR A 28 -7.042 3.958 13.722 1.00 0.00 C ATOM 382 OG1 THR A 28 -7.118 5.212 13.035 1.00 0.00 O ATOM 383 CG2 THR A 28 -8.352 3.692 14.448 1.00 0.00 C ATOM 0 H THR A 28 -4.495 4.182 13.134 1.00 0.00 H new ATOM 0 HA THR A 28 -6.103 4.625 15.546 1.00 0.00 H new ATOM 0 HB THR A 28 -6.876 3.158 13.000 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.871 5.196 12.407 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.172 3.689 13.730 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.302 2.724 14.946 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.522 4.473 15.189 1.00 0.00 H new ATOM 391 N PRO A 29 -6.134 2.281 16.444 1.00 0.00 N ATOM 392 CA PRO A 29 -5.999 0.967 17.078 1.00 0.00 C ATOM 393 C PRO A 29 -6.839 -0.101 16.385 1.00 0.00 C ATOM 394 O PRO A 29 -6.349 -1.188 16.080 1.00 0.00 O ATOM 395 CB PRO A 29 -6.508 1.206 18.502 1.00 0.00 C ATOM 396 CG PRO A 29 -7.432 2.368 18.383 1.00 0.00 C ATOM 397 CD PRO A 29 -6.870 3.235 17.291 1.00 0.00 C ATOM 0 HA PRO A 29 -4.975 0.597 17.033 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.024 0.328 18.891 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.687 1.422 19.185 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.442 2.040 18.139 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.493 2.916 19.323 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.658 3.742 16.734 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -6.213 4.008 17.690 1.00 0.00 H new ATOM 405 N ALA A 30 -8.105 0.217 16.139 1.00 0.00 N ATOM 406 CA ALA A 30 -9.012 -0.714 15.479 1.00 0.00 C ATOM 407 C ALA A 30 -9.333 -0.255 14.060 1.00 0.00 C ATOM 408 O ALA A 30 -10.305 0.467 13.836 1.00 0.00 O ATOM 409 CB ALA A 30 -10.291 -0.868 16.288 1.00 0.00 C ATOM 0 H ALA A 30 -8.526 1.112 16.387 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.516 -1.683 15.416 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.959 -1.566 15.783 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.050 -1.249 17.280 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.782 0.101 16.381 1.00 0.00 H new ATOM 415 N PHE A 31 -8.511 -0.679 13.106 1.00 0.00 N ATOM 416 CA PHE A 31 -8.707 -0.310 11.709 1.00 0.00 C ATOM 417 C PHE A 31 -9.045 -1.536 10.865 1.00 0.00 C ATOM 418 O PHE A 31 -8.587 -2.643 11.147 1.00 0.00 O ATOM 419 CB PHE A 31 -7.452 0.371 11.159 1.00 0.00 C ATOM 420 CG PHE A 31 -6.254 -0.533 11.106 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.394 -0.630 12.188 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.987 -1.286 9.974 1.00 0.00 C ATOM 423 CE1 PHE A 31 -4.290 -1.460 12.142 1.00 0.00 C ATOM 424 CE2 PHE A 31 -4.885 -2.118 9.922 1.00 0.00 C ATOM 425 CZ PHE A 31 -4.036 -2.206 11.008 1.00 0.00 C ATOM 0 H PHE A 31 -7.703 -1.278 13.275 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.543 0.387 11.657 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.661 0.744 10.156 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.217 1.237 11.778 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.589 -0.050 13.078 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.648 -1.222 9.122 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.627 -1.525 12.992 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.688 -2.699 9.033 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.175 -2.857 10.970 1.00 0.00 H new ATOM 435 N HIS A 32 -9.852 -1.329 9.829 1.00 0.00 N ATOM 436 CA HIS A 32 -10.253 -2.416 8.944 1.00 0.00 C ATOM 437 C HIS A 32 -9.735 -2.183 7.528 1.00 0.00 C ATOM 438 O HIS A 32 -10.341 -1.468 6.729 1.00 0.00 O ATOM 439 CB HIS A 32 -11.776 -2.553 8.926 1.00 0.00 C ATOM 440 CG HIS A 32 -12.492 -1.252 8.735 1.00 0.00 C ATOM 441 ND1 HIS A 32 -12.618 -0.182 9.555 1.00 0.00 N flip ATOM 442 CD2 HIS A 32 -13.189 -0.937 7.588 1.00 0.00 C flip ATOM 443 CE1 HIS A 32 -13.380 0.750 8.894 1.00 0.00 C flip ATOM 444 NE2 HIS A 32 -13.711 0.270 7.709 1.00 0.00 N flip ATOM 0 H HIS A 32 -10.241 -0.419 9.582 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.817 -3.340 9.324 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.062 -3.236 8.126 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.103 -3.004 9.863 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -13.292 -1.578 6.725 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.663 1.718 9.280 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -14.274 0.750 7.007 1.00 0.00 H new ATOM 453 N PRO A 33 -8.587 -2.798 7.207 1.00 0.00 N ATOM 454 CA PRO A 33 -7.963 -2.672 5.887 1.00 0.00 C ATOM 455 C PRO A 33 -8.761 -3.381 4.798 1.00 0.00 C ATOM 456 O PRO A 33 -9.695 -4.129 5.087 1.00 0.00 O ATOM 457 CB PRO A 33 -6.600 -3.343 6.074 1.00 0.00 C ATOM 458 CG PRO A 33 -6.800 -4.302 7.196 1.00 0.00 C ATOM 459 CD PRO A 33 -7.811 -3.665 8.109 1.00 0.00 C ATOM 0 HA PRO A 33 -7.901 -1.633 5.563 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.284 -3.857 5.166 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.828 -2.611 6.312 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.157 -5.264 6.828 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.863 -4.489 7.721 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.443 -4.411 8.591 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.331 -3.092 8.903 1.00 0.00 H new ATOM 467 N VAL A 34 -8.386 -3.142 3.546 1.00 0.00 N ATOM 468 CA VAL A 34 -9.066 -3.759 2.413 1.00 0.00 C ATOM 469 C VAL A 34 -8.328 -5.007 1.942 1.00 0.00 C ATOM 470 O VAL A 34 -8.947 -5.993 1.542 1.00 0.00 O ATOM 471 CB VAL A 34 -9.197 -2.777 1.233 1.00 0.00 C ATOM 472 CG1 VAL A 34 -7.926 -2.776 0.397 1.00 0.00 C ATOM 473 CG2 VAL A 34 -10.406 -3.127 0.380 1.00 0.00 C ATOM 0 H VAL A 34 -7.615 -2.525 3.290 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.062 -4.037 2.756 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.342 -1.773 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.036 -2.077 -0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.083 -2.473 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.747 -3.777 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.483 -2.423 -0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.294 -4.138 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.309 -3.071 0.988 1.00 0.00 H new ATOM 483 N CYS A 35 -7.002 -4.957 1.993 1.00 0.00 N ATOM 484 CA CYS A 35 -6.177 -6.084 1.572 1.00 0.00 C ATOM 485 C CYS A 35 -4.786 -6.002 2.191 1.00 0.00 C ATOM 486 O CYS A 35 -4.325 -4.923 2.562 1.00 0.00 O ATOM 487 CB CYS A 35 -6.069 -6.121 0.047 1.00 0.00 C ATOM 488 SG CYS A 35 -7.403 -7.030 -0.767 1.00 0.00 S ATOM 0 H CYS A 35 -6.475 -4.148 2.322 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.654 -7.001 1.918 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.058 -5.098 -0.330 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.116 -6.573 -0.228 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.492 -6.923 -0.065 1.00 0.00 H new ATOM 494 N GLN A 36 -4.124 -7.149 2.301 1.00 0.00 N ATOM 495 CA GLN A 36 -2.787 -7.207 2.878 1.00 0.00 C ATOM 496 C GLN A 36 -1.756 -7.603 1.826 1.00 0.00 C ATOM 497 O GLN A 36 -1.888 -8.639 1.173 1.00 0.00 O ATOM 498 CB GLN A 36 -2.752 -8.199 4.042 1.00 0.00 C ATOM 499 CG GLN A 36 -1.535 -8.043 4.939 1.00 0.00 C ATOM 500 CD GLN A 36 -1.746 -8.637 6.318 1.00 0.00 C ATOM 501 OE1 GLN A 36 -2.841 -9.089 6.651 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.694 -8.638 7.129 1.00 0.00 N ATOM 0 H GLN A 36 -4.492 -8.051 1.998 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.537 -6.213 3.250 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.653 -8.074 4.642 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.772 -9.214 3.644 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.677 -8.523 4.468 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.294 -6.985 5.037 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.195 -8.253 6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.776 -9.024 8.070 1.00 0.00 H new ATOM 511 N VAL A 37 -0.731 -6.773 1.667 1.00 0.00 N ATOM 512 CA VAL A 37 0.323 -7.037 0.694 1.00 0.00 C ATOM 513 C VAL A 37 1.684 -7.142 1.373 1.00 0.00 C ATOM 514 O VAL A 37 1.805 -6.925 2.579 1.00 0.00 O ATOM 515 CB VAL A 37 0.382 -5.937 -0.383 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.946 -5.838 -1.118 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.756 -4.601 0.241 1.00 0.00 C ATOM 0 H VAL A 37 -0.607 -5.912 2.199 1.00 0.00 H new ATOM 0 HA VAL A 37 0.083 -7.988 0.218 1.00 0.00 H new ATOM 0 HB VAL A 37 1.152 -6.202 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.886 -5.056 -1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.168 -6.791 -1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.737 -5.596 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.793 -3.835 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.010 -4.326 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.733 -4.683 0.717 1.00 0.00 H new ATOM 527 N ILE A 38 2.705 -7.475 0.591 1.00 0.00 N ATOM 528 CA ILE A 38 4.058 -7.606 1.116 1.00 0.00 C ATOM 529 C ILE A 38 5.057 -6.832 0.263 1.00 0.00 C ATOM 530 O ILE A 38 4.958 -6.813 -0.963 1.00 0.00 O ATOM 531 CB ILE A 38 4.494 -9.082 1.185 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.530 -9.279 2.294 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.054 -9.531 -0.156 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.489 -10.655 2.921 1.00 0.00 C ATOM 0 H ILE A 38 2.621 -7.659 -0.409 1.00 0.00 H new ATOM 0 HA ILE A 38 4.047 -7.191 2.124 1.00 0.00 H new ATOM 0 HB ILE A 38 3.622 -9.693 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.525 -9.104 1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.367 -8.530 3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.358 -10.576 -0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.289 -9.422 -0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.917 -8.917 -0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.250 -10.723 3.698 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.506 -10.826 3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.682 -11.409 2.157 1.00 0.00 H new ATOM 546 N ALA A 39 6.020 -6.194 0.921 1.00 0.00 N ATOM 547 CA ALA A 39 7.039 -5.421 0.223 1.00 0.00 C ATOM 548 C ALA A 39 7.963 -6.330 -0.580 1.00 0.00 C ATOM 549 O ALA A 39 8.519 -7.291 -0.050 1.00 0.00 O ATOM 550 CB ALA A 39 7.843 -4.592 1.214 1.00 0.00 C ATOM 0 H ALA A 39 6.115 -6.198 1.937 1.00 0.00 H new ATOM 0 HA ALA A 39 6.537 -4.749 -0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.601 -4.019 0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.177 -3.909 1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.328 -5.253 1.932 1.00 0.00 H new ATOM 556 N MET A 40 8.121 -6.020 -1.863 1.00 0.00 N ATOM 557 CA MET A 40 8.979 -6.809 -2.740 1.00 0.00 C ATOM 558 C MET A 40 10.434 -6.369 -2.618 1.00 0.00 C ATOM 559 O MET A 40 11.347 -7.194 -2.652 1.00 0.00 O ATOM 560 CB MET A 40 8.515 -6.682 -4.192 1.00 0.00 C ATOM 561 CG MET A 40 7.098 -7.181 -4.423 1.00 0.00 C ATOM 562 SD MET A 40 6.743 -7.483 -6.165 1.00 0.00 S ATOM 563 CE MET A 40 6.949 -5.838 -6.842 1.00 0.00 C ATOM 0 H MET A 40 7.666 -5.228 -2.318 1.00 0.00 H new ATOM 0 HA MET A 40 8.907 -7.853 -2.433 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.577 -5.637 -4.495 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.197 -7.240 -4.833 1.00 0.00 H new ATOM 0 HG2 MET A 40 6.945 -8.102 -3.860 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.391 -6.448 -4.034 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.005 -5.500 -7.270 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.254 -5.154 -6.050 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.713 -5.857 -7.619 1.00 0.00 H new ATOM 573 N TYR A 41 10.642 -5.065 -2.476 1.00 0.00 N ATOM 574 CA TYR A 41 11.987 -4.515 -2.352 1.00 0.00 C ATOM 575 C TYR A 41 12.075 -3.551 -1.173 1.00 0.00 C ATOM 576 O TYR A 41 11.075 -2.961 -0.763 1.00 0.00 O ATOM 577 CB TYR A 41 12.388 -3.798 -3.643 1.00 0.00 C ATOM 578 CG TYR A 41 11.747 -4.378 -4.883 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.336 -5.438 -5.562 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.552 -3.868 -5.375 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.754 -5.971 -6.695 1.00 0.00 C ATOM 582 CE2 TYR A 41 9.962 -4.395 -6.507 1.00 0.00 C ATOM 583 CZ TYR A 41 10.567 -5.447 -7.164 1.00 0.00 C ATOM 584 OH TYR A 41 9.983 -5.976 -8.292 1.00 0.00 O ATOM 0 H TYR A 41 9.897 -4.369 -2.444 1.00 0.00 H new ATOM 0 HA TYR A 41 12.675 -5.341 -2.174 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.117 -2.745 -3.563 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.472 -3.841 -3.751 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.265 -5.852 -5.197 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.076 -3.045 -4.863 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.226 -6.794 -7.211 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.033 -3.986 -6.876 1.00 0.00 H new ATOM 0 HH TYR A 41 10.208 -6.927 -8.362 1.00 0.00 H new ATOM 594 N ASP A 42 13.279 -3.395 -0.633 1.00 0.00 N ATOM 595 CA ASP A 42 13.500 -2.502 0.498 1.00 0.00 C ATOM 596 C ASP A 42 13.161 -1.061 0.127 1.00 0.00 C ATOM 597 O ASP A 42 13.958 -0.369 -0.506 1.00 0.00 O ATOM 598 CB ASP A 42 14.951 -2.592 0.971 1.00 0.00 C ATOM 599 CG ASP A 42 15.925 -2.766 -0.178 1.00 0.00 C ATOM 600 OD1 ASP A 42 16.100 -3.914 -0.638 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.512 -1.755 -0.618 1.00 0.00 O ATOM 0 H ASP A 42 14.117 -3.876 -0.961 1.00 0.00 H new ATOM 0 HA ASP A 42 12.842 -2.814 1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.206 -1.689 1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.054 -3.430 1.661 1.00 0.00 H new ATOM 606 N TYR A 43 11.974 -0.617 0.525 1.00 0.00 N ATOM 607 CA TYR A 43 11.529 0.740 0.231 1.00 0.00 C ATOM 608 C TYR A 43 12.018 1.717 1.296 1.00 0.00 C ATOM 609 O TYR A 43 12.062 1.389 2.482 1.00 0.00 O ATOM 610 CB TYR A 43 10.002 0.790 0.140 1.00 0.00 C ATOM 611 CG TYR A 43 9.478 2.020 -0.564 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.534 3.269 0.043 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.924 1.934 -1.835 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.055 4.396 -0.597 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.444 3.056 -2.483 1.00 0.00 C ATOM 616 CZ TYR A 43 8.512 4.285 -1.859 1.00 0.00 C ATOM 617 OH TYR A 43 8.033 5.405 -2.500 1.00 0.00 O ATOM 0 H TYR A 43 11.303 -1.176 1.052 1.00 0.00 H new ATOM 0 HA TYR A 43 11.954 1.034 -0.729 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.648 -0.097 -0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.585 0.752 1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.959 3.360 1.032 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.867 0.973 -2.325 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.106 5.359 -0.111 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.018 2.972 -3.472 1.00 0.00 H new ATOM 0 HH TYR A 43 7.083 5.521 -2.290 1.00 0.00 H new ATOM 627 N ALA A 44 12.383 2.919 0.864 1.00 0.00 N ATOM 628 CA ALA A 44 12.867 3.945 1.779 1.00 0.00 C ATOM 629 C ALA A 44 12.105 5.253 1.590 1.00 0.00 C ATOM 630 O ALA A 44 12.165 5.868 0.526 1.00 0.00 O ATOM 631 CB ALA A 44 14.359 4.168 1.582 1.00 0.00 C ATOM 0 H ALA A 44 12.353 3.206 -0.114 1.00 0.00 H new ATOM 0 HA ALA A 44 12.695 3.598 2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.706 4.937 2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.894 3.238 1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.547 4.489 0.557 1.00 0.00 H new ATOM 637 N ALA A 45 11.389 5.671 2.628 1.00 0.00 N ATOM 638 CA ALA A 45 10.616 6.906 2.576 1.00 0.00 C ATOM 639 C ALA A 45 11.530 8.126 2.602 1.00 0.00 C ATOM 640 O ALA A 45 12.188 8.400 3.605 1.00 0.00 O ATOM 641 CB ALA A 45 9.628 6.959 3.732 1.00 0.00 C ATOM 0 H ALA A 45 11.328 5.172 3.516 1.00 0.00 H new ATOM 0 HA ALA A 45 10.061 6.920 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.058 7.886 3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.947 6.110 3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.171 6.918 4.676 1.00 0.00 H new ATOM 647 N ASN A 46 11.567 8.856 1.491 1.00 0.00 N ATOM 648 CA ASN A 46 12.401 10.047 1.387 1.00 0.00 C ATOM 649 C ASN A 46 12.088 11.032 2.509 1.00 0.00 C ATOM 650 O ASN A 46 12.874 11.933 2.796 1.00 0.00 O ATOM 651 CB ASN A 46 12.196 10.721 0.029 1.00 0.00 C ATOM 652 CG ASN A 46 11.071 11.738 0.053 1.00 0.00 C ATOM 653 OD1 ASN A 46 11.268 12.890 0.440 1.00 0.00 O ATOM 654 ND2 ASN A 46 9.882 11.315 -0.363 1.00 0.00 N ATOM 0 H ASN A 46 11.029 8.643 0.651 1.00 0.00 H new ATOM 0 HA ASN A 46 13.443 9.739 1.479 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.121 11.213 -0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.979 9.961 -0.722 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.087 11.954 -0.370 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.764 10.351 -0.675 1.00 0.00 H new ATOM 661 N ASN A 47 10.932 10.852 3.141 1.00 0.00 N ATOM 662 CA ASN A 47 10.514 11.724 4.232 1.00 0.00 C ATOM 663 C ASN A 47 9.427 11.061 5.072 1.00 0.00 C ATOM 664 O ASN A 47 9.053 9.914 4.828 1.00 0.00 O ATOM 665 CB ASN A 47 10.006 13.058 3.680 1.00 0.00 C ATOM 666 CG ASN A 47 9.054 12.876 2.514 1.00 0.00 C ATOM 667 OD1 ASN A 47 8.368 11.859 2.411 1.00 0.00 O ATOM 668 ND2 ASN A 47 9.010 13.864 1.627 1.00 0.00 N ATOM 0 H ASN A 47 10.269 10.110 2.916 1.00 0.00 H new ATOM 0 HA ASN A 47 11.379 11.908 4.869 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.502 13.609 4.474 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.855 13.663 3.362 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.389 13.798 0.820 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.597 14.689 1.753 1.00 0.00 H new ATOM 675 N GLU A 48 8.923 11.792 6.062 1.00 0.00 N ATOM 676 CA GLU A 48 7.879 11.274 6.938 1.00 0.00 C ATOM 677 C GLU A 48 6.573 11.081 6.173 1.00 0.00 C ATOM 678 O GLU A 48 5.694 10.335 6.604 1.00 0.00 O ATOM 679 CB GLU A 48 7.657 12.221 8.119 1.00 0.00 C ATOM 680 CG GLU A 48 8.748 12.147 9.173 1.00 0.00 C ATOM 681 CD GLU A 48 10.043 12.792 8.719 1.00 0.00 C ATOM 682 OE1 GLU A 48 10.790 12.148 7.953 1.00 0.00 O ATOM 683 OE2 GLU A 48 10.309 13.941 9.130 1.00 0.00 O ATOM 0 H GLU A 48 9.221 12.744 6.277 1.00 0.00 H new ATOM 0 HA GLU A 48 8.205 10.305 7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.592 13.243 7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.699 11.990 8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.402 12.637 10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.935 11.103 9.424 1.00 0.00 H new ATOM 690 N ASP A 49 6.454 11.760 5.038 1.00 0.00 N ATOM 691 CA ASP A 49 5.256 11.664 4.212 1.00 0.00 C ATOM 692 C ASP A 49 5.125 10.271 3.604 1.00 0.00 C ATOM 693 O ASP A 49 4.028 9.719 3.526 1.00 0.00 O ATOM 694 CB ASP A 49 5.290 12.717 3.103 1.00 0.00 C ATOM 695 CG ASP A 49 4.861 14.087 3.591 1.00 0.00 C ATOM 696 OD1 ASP A 49 5.267 14.473 4.708 1.00 0.00 O ATOM 697 OD2 ASP A 49 4.120 14.773 2.857 1.00 0.00 O ATOM 0 H ASP A 49 7.172 12.383 4.669 1.00 0.00 H new ATOM 0 HA ASP A 49 4.390 11.846 4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.299 12.779 2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.637 12.404 2.289 1.00 0.00 H new ATOM 702 N GLU A 50 6.251 9.711 3.174 1.00 0.00 N ATOM 703 CA GLU A 50 6.261 8.383 2.571 1.00 0.00 C ATOM 704 C GLU A 50 6.448 7.304 3.634 1.00 0.00 C ATOM 705 O GLU A 50 6.822 7.595 4.771 1.00 0.00 O ATOM 706 CB GLU A 50 7.372 8.282 1.524 1.00 0.00 C ATOM 707 CG GLU A 50 7.006 8.900 0.186 1.00 0.00 C ATOM 708 CD GLU A 50 8.038 8.618 -0.889 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.214 8.391 -0.536 1.00 0.00 O ATOM 710 OE2 GLU A 50 7.669 8.625 -2.082 1.00 0.00 O ATOM 0 H GLU A 50 7.167 10.155 3.232 1.00 0.00 H new ATOM 0 HA GLU A 50 5.298 8.226 2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.267 8.772 1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.623 7.232 1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.038 8.515 -0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.897 9.978 0.306 1.00 0.00 H new ATOM 717 N LEU A 51 6.186 6.058 3.256 1.00 0.00 N ATOM 718 CA LEU A 51 6.325 4.934 4.176 1.00 0.00 C ATOM 719 C LEU A 51 7.621 4.173 3.913 1.00 0.00 C ATOM 720 O LEU A 51 7.866 3.710 2.799 1.00 0.00 O ATOM 721 CB LEU A 51 5.129 3.990 4.043 1.00 0.00 C ATOM 722 CG LEU A 51 4.681 3.291 5.327 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.617 2.247 5.022 1.00 0.00 C ATOM 724 CD2 LEU A 51 5.870 2.654 6.031 1.00 0.00 C ATOM 0 H LEU A 51 5.876 5.800 2.319 1.00 0.00 H new ATOM 0 HA LEU A 51 6.357 5.329 5.192 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.286 4.557 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.374 3.227 3.304 1.00 0.00 H new ATOM 0 HG LEU A 51 4.248 4.038 5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.310 1.759 5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.755 2.730 4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.023 1.503 4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.532 2.161 6.943 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.332 1.920 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.599 3.424 6.284 1.00 0.00 H new ATOM 736 N SER A 52 8.446 4.044 4.948 1.00 0.00 N ATOM 737 CA SER A 52 9.717 3.340 4.828 1.00 0.00 C ATOM 738 C SER A 52 9.611 1.928 5.398 1.00 0.00 C ATOM 739 O SER A 52 9.258 1.741 6.562 1.00 0.00 O ATOM 740 CB SER A 52 10.822 4.112 5.551 1.00 0.00 C ATOM 741 OG SER A 52 12.076 3.916 4.923 1.00 0.00 O ATOM 0 H SER A 52 8.257 4.418 5.878 1.00 0.00 H new ATOM 0 HA SER A 52 9.967 3.269 3.769 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.580 5.175 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.877 3.787 6.590 1.00 0.00 H new ATOM 0 HG SER A 52 12.765 4.421 5.403 1.00 0.00 H new ATOM 747 N PHE A 53 9.920 0.937 4.568 1.00 0.00 N ATOM 748 CA PHE A 53 9.859 -0.458 4.987 1.00 0.00 C ATOM 749 C PHE A 53 10.975 -1.270 4.337 1.00 0.00 C ATOM 750 O PHE A 53 11.700 -0.772 3.475 1.00 0.00 O ATOM 751 CB PHE A 53 8.500 -1.061 4.630 1.00 0.00 C ATOM 752 CG PHE A 53 8.057 -0.753 3.228 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.440 -1.565 2.172 1.00 0.00 C ATOM 754 CD2 PHE A 53 7.257 0.347 2.966 1.00 0.00 C ATOM 755 CE1 PHE A 53 8.035 -1.284 0.881 1.00 0.00 C ATOM 756 CE2 PHE A 53 6.848 0.633 1.677 1.00 0.00 C ATOM 757 CZ PHE A 53 7.237 -0.184 0.633 1.00 0.00 C ATOM 0 H PHE A 53 10.215 1.074 3.601 1.00 0.00 H new ATOM 0 HA PHE A 53 9.991 -0.493 6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.546 -2.142 4.759 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.751 -0.689 5.329 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.062 -2.427 2.360 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.949 0.989 3.778 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.342 -1.924 0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.225 1.494 1.486 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.918 0.037 -0.375 1.00 0.00 H new ATOM 767 N SER A 54 11.108 -2.525 4.756 1.00 0.00 N ATOM 768 CA SER A 54 12.138 -3.406 4.218 1.00 0.00 C ATOM 769 C SER A 54 11.513 -4.620 3.539 1.00 0.00 C ATOM 770 O SER A 54 10.483 -5.132 3.979 1.00 0.00 O ATOM 771 CB SER A 54 13.083 -3.860 5.332 1.00 0.00 C ATOM 772 OG SER A 54 12.359 -4.383 6.433 1.00 0.00 O ATOM 0 H SER A 54 10.515 -2.954 5.466 1.00 0.00 H new ATOM 0 HA SER A 54 12.707 -2.848 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.765 -4.618 4.948 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.694 -3.019 5.661 1.00 0.00 H new ATOM 0 HG SER A 54 12.985 -4.668 7.131 1.00 0.00 H new ATOM 778 N LYS A 55 12.144 -5.078 2.462 1.00 0.00 N ATOM 779 CA LYS A 55 11.653 -6.233 1.720 1.00 0.00 C ATOM 780 C LYS A 55 11.044 -7.266 2.663 1.00 0.00 C ATOM 781 O LYS A 55 11.736 -7.834 3.507 1.00 0.00 O ATOM 782 CB LYS A 55 12.789 -6.868 0.915 1.00 0.00 C ATOM 783 CG LYS A 55 12.428 -8.215 0.312 1.00 0.00 C ATOM 784 CD LYS A 55 13.575 -8.785 -0.505 1.00 0.00 C ATOM 785 CE LYS A 55 13.115 -9.941 -1.380 1.00 0.00 C ATOM 786 NZ LYS A 55 12.642 -9.474 -2.713 1.00 0.00 N ATOM 0 H LYS A 55 12.997 -4.666 2.084 1.00 0.00 H new ATOM 0 HA LYS A 55 10.878 -5.891 1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.081 -6.188 0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.658 -6.990 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.165 -8.912 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.547 -8.107 -0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.002 -8.001 -1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.366 -9.126 0.164 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.936 -10.645 -1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.311 -10.479 -0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.274 -10.283 -3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.887 -8.770 -2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.434 -9.043 -3.231 1.00 0.00 H new ATOM 800 N GLY A 56 9.745 -7.506 2.512 1.00 0.00 N ATOM 801 CA GLY A 56 9.066 -8.473 3.355 1.00 0.00 C ATOM 802 C GLY A 56 8.449 -7.836 4.584 1.00 0.00 C ATOM 803 O GLY A 56 8.211 -8.510 5.586 1.00 0.00 O ATOM 0 H GLY A 56 9.151 -7.048 1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.287 -8.971 2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.774 -9.242 3.664 1.00 0.00 H new ATOM 807 N GLN A 57 8.190 -6.534 4.508 1.00 0.00 N ATOM 808 CA GLN A 57 7.598 -5.807 5.624 1.00 0.00 C ATOM 809 C GLN A 57 6.092 -6.043 5.691 1.00 0.00 C ATOM 810 O GLN A 57 5.471 -6.440 4.704 1.00 0.00 O ATOM 811 CB GLN A 57 7.887 -4.310 5.496 1.00 0.00 C ATOM 812 CG GLN A 57 7.687 -3.539 6.790 1.00 0.00 C ATOM 813 CD GLN A 57 8.425 -4.160 7.960 1.00 0.00 C ATOM 814 OE1 GLN A 57 7.977 -5.153 8.534 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.563 -3.578 8.319 1.00 0.00 N ATOM 0 H GLN A 57 8.381 -5.962 3.685 1.00 0.00 H new ATOM 0 HA GLN A 57 8.046 -6.179 6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.914 -4.174 5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.239 -3.888 4.728 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.028 -2.513 6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.623 -3.493 7.020 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.897 -2.757 7.815 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.103 -3.952 9.099 1.00 0.00 H new ATOM 824 N LEU A 58 5.511 -5.795 6.860 1.00 0.00 N ATOM 825 CA LEU A 58 4.078 -5.981 7.056 1.00 0.00 C ATOM 826 C LEU A 58 3.303 -4.742 6.618 1.00 0.00 C ATOM 827 O LEU A 58 3.316 -3.717 7.300 1.00 0.00 O ATOM 828 CB LEU A 58 3.779 -6.290 8.524 1.00 0.00 C ATOM 829 CG LEU A 58 2.431 -5.800 9.052 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.298 -6.294 8.166 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.223 -6.256 10.489 1.00 0.00 C ATOM 0 H LEU A 58 6.010 -5.465 7.686 1.00 0.00 H new ATOM 0 HA LEU A 58 3.759 -6.823 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.831 -7.370 8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.567 -5.850 9.135 1.00 0.00 H new ATOM 0 HG LEU A 58 2.431 -4.710 9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.346 -5.935 8.558 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.438 -5.918 7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.296 -7.384 8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.258 -5.898 10.848 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.245 -7.345 10.532 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.017 -5.852 11.117 1.00 0.00 H new ATOM 843 N ILE A 59 2.629 -4.844 5.477 1.00 0.00 N ATOM 844 CA ILE A 59 1.847 -3.733 4.950 1.00 0.00 C ATOM 845 C ILE A 59 0.411 -4.159 4.663 1.00 0.00 C ATOM 846 O ILE A 59 0.172 -5.215 4.077 1.00 0.00 O ATOM 847 CB ILE A 59 2.470 -3.167 3.661 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.861 -2.597 3.949 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.568 -2.098 3.062 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.784 -2.623 2.751 1.00 0.00 C ATOM 0 H ILE A 59 2.609 -5.685 4.900 1.00 0.00 H new ATOM 0 HA ILE A 59 1.847 -2.956 5.715 1.00 0.00 H new ATOM 0 HB ILE A 59 2.571 -3.976 2.938 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.759 -1.569 4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.316 -3.164 4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.022 -1.707 2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.597 -2.532 2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.438 -1.288 3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.751 -2.204 3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.916 -3.652 2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.350 -2.032 1.945 1.00 0.00 H new ATOM 862 N ASN A 60 -0.541 -3.330 5.077 1.00 0.00 N ATOM 863 CA ASN A 60 -1.954 -3.621 4.863 1.00 0.00 C ATOM 864 C ASN A 60 -2.627 -2.499 4.078 1.00 0.00 C ATOM 865 O ASN A 60 -2.901 -1.426 4.617 1.00 0.00 O ATOM 866 CB ASN A 60 -2.665 -3.817 6.203 1.00 0.00 C ATOM 867 CG ASN A 60 -2.645 -5.263 6.662 1.00 0.00 C ATOM 868 OD1 ASN A 60 -3.526 -6.077 6.092 1.00 0.00 O flip ATOM 869 ND2 ASN A 60 -1.846 -5.643 7.518 1.00 0.00 N flip ATOM 0 H ASN A 60 -0.360 -2.451 5.563 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.026 -4.541 4.283 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.189 -3.192 6.959 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.698 -3.481 6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.186 -4.982 7.929 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.843 -6.618 7.816 1.00 0.00 H new ATOM 876 N VAL A 61 -2.891 -2.754 2.800 1.00 0.00 N ATOM 877 CA VAL A 61 -3.534 -1.767 1.940 1.00 0.00 C ATOM 878 C VAL A 61 -4.877 -1.330 2.514 1.00 0.00 C ATOM 879 O VAL A 61 -5.766 -2.151 2.734 1.00 0.00 O ATOM 880 CB VAL A 61 -3.750 -2.318 0.518 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.336 -1.245 -0.387 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.445 -2.853 -0.050 1.00 0.00 C ATOM 0 H VAL A 61 -2.669 -3.636 2.337 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.866 -0.907 1.891 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.461 -3.143 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.482 -1.653 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.295 -0.915 0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.652 -0.398 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.616 -3.238 -1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.709 -2.050 -0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.073 -3.655 0.587 1.00 0.00 H new ATOM 892 N MET A 62 -5.016 -0.030 2.754 1.00 0.00 N ATOM 893 CA MET A 62 -6.252 0.518 3.301 1.00 0.00 C ATOM 894 C MET A 62 -7.024 1.288 2.235 1.00 0.00 C ATOM 895 O MET A 62 -8.252 1.239 2.188 1.00 0.00 O ATOM 896 CB MET A 62 -5.948 1.433 4.489 1.00 0.00 C ATOM 897 CG MET A 62 -5.115 0.767 5.572 1.00 0.00 C ATOM 898 SD MET A 62 -6.127 -0.040 6.827 1.00 0.00 S ATOM 899 CE MET A 62 -6.171 1.227 8.092 1.00 0.00 C ATOM 0 H MET A 62 -4.289 0.663 2.578 1.00 0.00 H new ATOM 0 HA MET A 62 -6.869 -0.313 3.641 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.422 2.318 4.130 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.887 1.775 4.923 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.454 0.031 5.115 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.480 1.514 6.048 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.190 1.335 8.463 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.513 0.944 8.914 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.836 2.175 7.670 1.00 0.00 H new ATOM 909 N ASN A 63 -6.295 1.999 1.381 1.00 0.00 N ATOM 910 CA ASN A 63 -6.912 2.781 0.315 1.00 0.00 C ATOM 911 C ASN A 63 -6.061 2.744 -0.950 1.00 0.00 C ATOM 912 O ASN A 63 -4.989 3.347 -1.009 1.00 0.00 O ATOM 913 CB ASN A 63 -7.111 4.229 0.767 1.00 0.00 C ATOM 914 CG ASN A 63 -7.960 5.027 -0.205 1.00 0.00 C ATOM 915 OD1 ASN A 63 -7.754 4.969 -1.417 1.00 0.00 O ATOM 916 ND2 ASN A 63 -8.920 5.776 0.325 1.00 0.00 N ATOM 0 H ASN A 63 -5.277 2.050 1.406 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.883 2.340 0.091 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.583 4.238 1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.139 4.710 0.875 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.523 6.334 -0.279 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.054 5.793 1.336 1.00 0.00 H new ATOM 923 N LYS A 64 -6.545 2.032 -1.962 1.00 0.00 N ATOM 924 CA LYS A 64 -5.831 1.916 -3.228 1.00 0.00 C ATOM 925 C LYS A 64 -6.610 2.587 -4.355 1.00 0.00 C ATOM 926 O LYS A 64 -6.715 2.047 -5.457 1.00 0.00 O ATOM 927 CB LYS A 64 -5.589 0.444 -3.568 1.00 0.00 C ATOM 928 CG LYS A 64 -6.855 -0.394 -3.582 1.00 0.00 C ATOM 929 CD LYS A 64 -6.733 -1.573 -4.533 1.00 0.00 C ATOM 930 CE LYS A 64 -6.146 -2.791 -3.837 1.00 0.00 C ATOM 931 NZ LYS A 64 -7.122 -3.421 -2.905 1.00 0.00 N ATOM 0 H LYS A 64 -7.430 1.526 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.871 2.421 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.110 0.380 -4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.892 0.022 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.063 -0.757 -2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.700 0.227 -3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.715 -1.821 -4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.103 -1.297 -5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.834 -3.521 -4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.253 -2.498 -3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.645 -3.659 -2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.900 -2.757 -2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.504 -4.287 -3.336 1.00 0.00 H new ATOM 945 N ASP A 65 -7.153 3.766 -4.073 1.00 0.00 N ATOM 946 CA ASP A 65 -7.920 4.512 -5.064 1.00 0.00 C ATOM 947 C ASP A 65 -7.224 4.486 -6.421 1.00 0.00 C ATOM 948 O ASP A 65 -7.827 4.124 -7.432 1.00 0.00 O ATOM 949 CB ASP A 65 -8.117 5.958 -4.605 1.00 0.00 C ATOM 950 CG ASP A 65 -9.271 6.638 -5.314 1.00 0.00 C ATOM 951 OD1 ASP A 65 -10.400 6.109 -5.250 1.00 0.00 O ATOM 952 OD2 ASP A 65 -9.046 7.699 -5.934 1.00 0.00 O ATOM 0 H ASP A 65 -7.076 4.226 -3.166 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.895 4.036 -5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.295 5.974 -3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.201 6.521 -4.785 1.00 0.00 H new ATOM 957 N ASP A 66 -5.954 4.873 -6.437 1.00 0.00 N ATOM 958 CA ASP A 66 -5.176 4.894 -7.670 1.00 0.00 C ATOM 959 C ASP A 66 -4.308 3.645 -7.786 1.00 0.00 C ATOM 960 O ASP A 66 -3.609 3.255 -6.851 1.00 0.00 O ATOM 961 CB ASP A 66 -4.299 6.146 -7.724 1.00 0.00 C ATOM 962 CG ASP A 66 -5.063 7.368 -8.193 1.00 0.00 C ATOM 963 OD1 ASP A 66 -6.252 7.498 -7.834 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.472 8.195 -8.919 1.00 0.00 O ATOM 0 H ASP A 66 -5.441 5.177 -5.610 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.872 4.911 -8.509 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.884 6.338 -6.735 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.458 5.968 -8.394 1.00 0.00 H new ATOM 969 N PRO A 67 -4.353 3.000 -8.962 1.00 0.00 N ATOM 970 CA PRO A 67 -3.578 1.785 -9.228 1.00 0.00 C ATOM 971 C PRO A 67 -2.081 2.062 -9.327 1.00 0.00 C ATOM 972 O PRO A 67 -1.284 1.149 -9.543 1.00 0.00 O ATOM 973 CB PRO A 67 -4.123 1.305 -10.576 1.00 0.00 C ATOM 974 CG PRO A 67 -4.649 2.534 -11.231 1.00 0.00 C ATOM 975 CD PRO A 67 -5.165 3.407 -10.121 1.00 0.00 C ATOM 0 HA PRO A 67 -3.679 1.053 -8.426 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.341 0.840 -11.176 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.908 0.560 -10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.866 3.041 -11.794 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.443 2.291 -11.937 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.037 4.465 -10.349 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.228 3.245 -9.944 1.00 0.00 H new ATOM 983 N ASP A 68 -1.707 3.326 -9.167 1.00 0.00 N ATOM 984 CA ASP A 68 -0.306 3.723 -9.236 1.00 0.00 C ATOM 985 C ASP A 68 0.337 3.693 -7.853 1.00 0.00 C ATOM 986 O ASP A 68 1.458 3.211 -7.689 1.00 0.00 O ATOM 987 CB ASP A 68 -0.179 5.123 -9.840 1.00 0.00 C ATOM 988 CG ASP A 68 -1.279 5.423 -10.840 1.00 0.00 C ATOM 989 OD1 ASP A 68 -2.445 5.563 -10.415 1.00 0.00 O ATOM 990 OD2 ASP A 68 -0.973 5.520 -12.046 1.00 0.00 O ATOM 0 H ASP A 68 -2.355 4.094 -8.989 1.00 0.00 H new ATOM 0 HA ASP A 68 0.216 3.011 -9.875 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.206 5.864 -9.041 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.790 5.218 -10.330 1.00 0.00 H new ATOM 995 N TRP A 69 -0.380 4.211 -6.862 1.00 0.00 N ATOM 996 CA TRP A 69 0.121 4.244 -5.493 1.00 0.00 C ATOM 997 C TRP A 69 -0.934 3.741 -4.515 1.00 0.00 C ATOM 998 O TRP A 69 -2.122 4.027 -4.668 1.00 0.00 O ATOM 999 CB TRP A 69 0.547 5.665 -5.118 1.00 0.00 C ATOM 1000 CG TRP A 69 1.942 6.000 -5.549 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.389 6.154 -6.831 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.073 6.221 -4.699 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.729 6.458 -6.828 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.172 6.506 -5.532 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.262 6.209 -3.314 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.441 6.773 -5.025 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.522 6.475 -2.813 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.598 6.755 -3.666 1.00 0.00 C ATOM 0 H TRP A 69 -1.310 4.614 -6.981 1.00 0.00 H new ATOM 0 HA TRP A 69 0.987 3.585 -5.433 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.146 6.375 -5.570 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.469 5.787 -4.038 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.779 6.052 -7.716 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.301 6.621 -7.656 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.439 5.996 -2.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.272 6.987 -5.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.680 6.467 -1.745 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.570 6.961 -3.242 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.494 2.992 -3.510 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.403 2.450 -2.506 1.00 0.00 C ATOM 1021 C TRP A 70 -0.991 2.888 -1.105 1.00 0.00 C ATOM 1022 O TRP A 70 0.162 3.250 -0.874 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.434 0.923 -2.588 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.047 0.407 -3.855 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.871 1.090 -4.703 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.886 -0.900 -4.415 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.232 0.285 -5.757 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.640 -0.940 -5.604 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.176 -2.041 -4.029 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.705 -2.076 -6.407 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.241 -3.167 -4.827 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.000 -3.178 -6.005 1.00 0.00 C ATOM 0 H TRP A 70 0.486 2.746 -3.369 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.401 2.838 -2.708 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.416 0.541 -2.504 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.993 0.532 -1.737 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.192 2.112 -4.566 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.842 0.556 -6.528 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.587 -2.042 -3.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.291 -2.087 -7.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.697 -4.054 -4.538 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.029 -4.074 -6.608 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.941 2.853 -0.176 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.674 3.248 1.202 1.00 0.00 C ATOM 1045 C GLN A 71 -1.706 2.038 2.131 1.00 0.00 C ATOM 1046 O GLN A 71 -2.677 1.283 2.151 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.698 4.286 1.664 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.535 4.696 3.119 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.278 5.975 3.452 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -4.075 6.469 2.654 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -3.021 6.518 4.636 1.00 0.00 N ATOM 0 H GLN A 71 -2.901 2.556 -0.352 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.677 3.688 1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.615 5.172 1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.701 3.885 1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.896 3.893 3.761 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.476 4.828 3.339 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.353 6.074 5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.492 7.379 4.915 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.635 1.860 2.899 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.560 0.740 3.818 1.00 0.00 C ATOM 1062 C GLY A 72 -0.161 1.164 5.218 1.00 0.00 C ATOM 1063 O GLY A 72 -0.059 2.356 5.506 1.00 0.00 O ATOM 0 H GLY A 72 0.181 2.471 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.527 0.239 3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.161 0.014 3.442 1.00 0.00 H new ATOM 1067 N GLU A 73 0.063 0.186 6.090 1.00 0.00 N ATOM 1068 CA GLU A 73 0.450 0.467 7.468 1.00 0.00 C ATOM 1069 C GLU A 73 1.519 -0.514 7.943 1.00 0.00 C ATOM 1070 O GLU A 73 1.642 -1.619 7.413 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.770 0.394 8.388 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.442 -0.968 8.401 1.00 0.00 C ATOM 1073 CD GLU A 73 -0.894 -1.879 9.482 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -1.230 -1.666 10.666 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -0.128 -2.806 9.144 1.00 0.00 O ATOM 0 H GLU A 73 -0.017 -0.806 5.867 1.00 0.00 H new ATOM 0 HA GLU A 73 0.864 1.475 7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.465 0.649 9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.496 1.145 8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.514 -0.839 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.310 -1.443 7.429 1.00 0.00 H new ATOM 1082 N ILE A 74 2.289 -0.101 8.944 1.00 0.00 N ATOM 1083 CA ILE A 74 3.347 -0.942 9.490 1.00 0.00 C ATOM 1084 C ILE A 74 3.679 -0.545 10.925 1.00 0.00 C ATOM 1085 O ILE A 74 4.108 0.578 11.185 1.00 0.00 O ATOM 1086 CB ILE A 74 4.627 -0.863 8.638 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.271 -0.727 7.156 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.495 -2.091 8.870 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.475 -0.531 6.261 1.00 0.00 C ATOM 0 H ILE A 74 2.200 0.810 9.393 1.00 0.00 H new ATOM 0 HA ILE A 74 2.974 -1.966 9.475 1.00 0.00 H new ATOM 0 HB ILE A 74 5.193 0.019 8.939 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.732 -1.619 6.837 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.593 0.117 7.029 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.396 -2.020 8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.772 -2.147 9.923 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.939 -2.987 8.593 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.148 -0.442 5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.002 0.377 6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.144 -1.386 6.358 1.00 0.00 H new ATOM 1101 N ASN A 75 3.478 -1.476 11.852 1.00 0.00 N ATOM 1102 CA ASN A 75 3.758 -1.224 13.261 1.00 0.00 C ATOM 1103 C ASN A 75 3.029 0.026 13.745 1.00 0.00 C ATOM 1104 O ASN A 75 3.612 0.878 14.414 1.00 0.00 O ATOM 1105 CB ASN A 75 5.264 -1.067 13.484 1.00 0.00 C ATOM 1106 CG ASN A 75 5.955 -2.397 13.717 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.490 -3.221 14.505 1.00 0.00 O ATOM 1108 ND2 ASN A 75 7.071 -2.612 13.031 1.00 0.00 N ATOM 0 H ASN A 75 3.123 -2.411 11.653 1.00 0.00 H new ATOM 0 HA ASN A 75 3.400 -2.078 13.835 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.708 -0.577 12.618 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.436 -0.416 14.341 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.580 -3.489 13.146 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.420 -1.901 12.389 1.00 0.00 H new ATOM 1115 N GLY A 76 1.748 0.128 13.401 1.00 0.00 N ATOM 1116 CA GLY A 76 0.960 1.276 13.809 1.00 0.00 C ATOM 1117 C GLY A 76 1.351 2.540 13.070 1.00 0.00 C ATOM 1118 O GLY A 76 0.978 3.643 13.471 1.00 0.00 O ATOM 0 H GLY A 76 1.243 -0.564 12.847 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.096 1.069 13.634 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.081 1.433 14.881 1.00 0.00 H new ATOM 1122 N VAL A 77 2.107 2.382 11.988 1.00 0.00 N ATOM 1123 CA VAL A 77 2.550 3.520 11.192 1.00 0.00 C ATOM 1124 C VAL A 77 1.840 3.556 9.843 1.00 0.00 C ATOM 1125 O VAL A 77 1.472 2.517 9.294 1.00 0.00 O ATOM 1126 CB VAL A 77 4.072 3.483 10.958 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.399 2.709 9.689 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.635 4.894 10.891 1.00 0.00 C ATOM 0 H VAL A 77 2.425 1.477 11.643 1.00 0.00 H new ATOM 0 HA VAL A 77 2.299 4.418 11.756 1.00 0.00 H new ATOM 0 HB VAL A 77 4.539 2.970 11.799 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.479 2.694 9.540 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.031 1.687 9.781 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.922 3.191 8.836 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.711 4.849 10.725 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.164 5.435 10.070 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.434 5.411 11.829 1.00 0.00 H new ATOM 1138 N THR A 78 1.651 4.760 9.312 1.00 0.00 N ATOM 1139 CA THR A 78 0.985 4.933 8.027 1.00 0.00 C ATOM 1140 C THR A 78 1.736 5.925 7.147 1.00 0.00 C ATOM 1141 O THR A 78 2.355 6.865 7.644 1.00 0.00 O ATOM 1142 CB THR A 78 -0.466 5.419 8.207 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.488 6.606 9.008 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.319 4.344 8.862 1.00 0.00 C ATOM 0 H THR A 78 1.950 5.630 9.752 1.00 0.00 H new ATOM 0 HA THR A 78 0.976 3.957 7.542 1.00 0.00 H new ATOM 0 HB THR A 78 -0.878 5.637 7.222 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.450 6.362 9.956 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.339 4.710 8.979 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.323 3.451 8.236 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.907 4.099 9.841 1.00 0.00 H new ATOM 1152 N GLY A 79 1.677 5.710 5.836 1.00 0.00 N ATOM 1153 CA GLY A 79 2.356 6.595 4.908 1.00 0.00 C ATOM 1154 C GLY A 79 1.855 6.438 3.486 1.00 0.00 C ATOM 1155 O GLY A 79 0.655 6.290 3.255 1.00 0.00 O ATOM 0 H GLY A 79 1.171 4.939 5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.216 7.628 5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.427 6.394 4.937 1.00 0.00 H new ATOM 1159 N LEU A 80 2.777 6.471 2.529 1.00 0.00 N ATOM 1160 CA LEU A 80 2.422 6.333 1.121 1.00 0.00 C ATOM 1161 C LEU A 80 3.497 5.560 0.363 1.00 0.00 C ATOM 1162 O LEU A 80 4.692 5.768 0.574 1.00 0.00 O ATOM 1163 CB LEU A 80 2.225 7.711 0.487 1.00 0.00 C ATOM 1164 CG LEU A 80 0.951 8.456 0.883 1.00 0.00 C ATOM 1165 CD1 LEU A 80 0.993 9.891 0.381 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.277 7.737 0.344 1.00 0.00 C ATOM 0 H LEU A 80 3.775 6.592 2.703 1.00 0.00 H new ATOM 0 HA LEU A 80 1.487 5.775 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.081 8.334 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.232 7.594 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 80 0.888 8.475 1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.077 10.405 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.851 10.403 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.081 9.894 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.175 8.282 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.221 7.686 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.316 6.727 0.753 1.00 0.00 H new ATOM 1178 N PHE A 81 3.064 4.670 -0.524 1.00 0.00 N ATOM 1179 CA PHE A 81 3.988 3.866 -1.315 1.00 0.00 C ATOM 1180 C PHE A 81 3.338 3.415 -2.619 1.00 0.00 C ATOM 1181 O PHE A 81 2.116 3.305 -2.728 1.00 0.00 O ATOM 1182 CB PHE A 81 4.452 2.648 -0.515 1.00 0.00 C ATOM 1183 CG PHE A 81 3.321 1.832 0.045 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.422 1.199 -0.799 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.157 1.699 1.414 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.381 0.448 -0.287 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.118 0.949 1.931 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.228 0.324 1.080 1.00 0.00 C ATOM 0 H PHE A 81 2.078 4.487 -0.713 1.00 0.00 H new ATOM 0 HA PHE A 81 4.853 4.484 -1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.064 2.014 -1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.089 2.982 0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.536 1.294 -1.869 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.849 2.187 2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.688 -0.041 -0.955 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.002 0.852 3.000 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.414 -0.261 1.483 1.00 0.00 H new ATOM 1198 N PRO A 82 4.172 3.148 -3.635 1.00 0.00 N ATOM 1199 CA PRO A 82 3.702 2.705 -4.950 1.00 0.00 C ATOM 1200 C PRO A 82 3.134 1.290 -4.916 1.00 0.00 C ATOM 1201 O PRO A 82 3.614 0.436 -4.172 1.00 0.00 O ATOM 1202 CB PRO A 82 4.965 2.753 -5.814 1.00 0.00 C ATOM 1203 CG PRO A 82 6.089 2.595 -4.849 1.00 0.00 C ATOM 1204 CD PRO A 82 5.640 3.258 -3.577 1.00 0.00 C ATOM 0 HA PRO A 82 2.890 3.329 -5.323 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.967 1.956 -6.558 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.038 3.696 -6.356 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.314 1.542 -4.681 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.999 3.059 -5.230 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.046 2.758 -2.698 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.964 4.298 -3.530 1.00 0.00 H new ATOM 1212 N SER A 83 2.109 1.049 -5.728 1.00 0.00 N ATOM 1213 CA SER A 83 1.473 -0.262 -5.788 1.00 0.00 C ATOM 1214 C SER A 83 2.328 -1.244 -6.584 1.00 0.00 C ATOM 1215 O SER A 83 1.904 -2.363 -6.868 1.00 0.00 O ATOM 1216 CB SER A 83 0.084 -0.150 -6.418 1.00 0.00 C ATOM 1217 OG SER A 83 0.166 0.316 -7.754 1.00 0.00 O ATOM 0 H SER A 83 1.702 1.744 -6.353 1.00 0.00 H new ATOM 0 HA SER A 83 1.372 -0.637 -4.770 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.407 -1.123 -6.398 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.532 0.530 -5.829 1.00 0.00 H new ATOM 0 HG SER A 83 -0.732 0.352 -8.144 1.00 0.00 H new ATOM 1223 N ASN A 84 3.534 -0.815 -6.940 1.00 0.00 N ATOM 1224 CA ASN A 84 4.449 -1.655 -7.704 1.00 0.00 C ATOM 1225 C ASN A 84 5.553 -2.211 -6.809 1.00 0.00 C ATOM 1226 O ASN A 84 6.350 -3.047 -7.235 1.00 0.00 O ATOM 1227 CB ASN A 84 5.065 -0.859 -8.856 1.00 0.00 C ATOM 1228 CG ASN A 84 6.344 -0.151 -8.451 1.00 0.00 C ATOM 1229 OD1 ASN A 84 6.329 1.176 -8.507 1.00 0.00 O flip ATOM 1230 ND2 ASN A 84 7.333 -0.790 -8.092 1.00 0.00 N flip ATOM 0 H ASN A 84 3.901 0.109 -6.712 1.00 0.00 H new ATOM 0 HA ASN A 84 3.880 -2.490 -8.112 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.273 -1.531 -9.688 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.343 -0.124 -9.213 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.299 -1.809 -8.064 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.186 -0.300 -7.822 1.00 0.00 H new ATOM 1237 N TYR A 85 5.592 -1.742 -5.567 1.00 0.00 N ATOM 1238 CA TYR A 85 6.598 -2.191 -4.611 1.00 0.00 C ATOM 1239 C TYR A 85 5.994 -3.157 -3.597 1.00 0.00 C ATOM 1240 O TYR A 85 6.572 -3.407 -2.539 1.00 0.00 O ATOM 1241 CB TYR A 85 7.213 -0.992 -3.886 1.00 0.00 C ATOM 1242 CG TYR A 85 8.402 -0.395 -4.605 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.241 0.301 -5.796 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.687 -0.527 -4.092 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.325 0.847 -6.457 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.776 0.017 -4.744 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.590 0.703 -5.926 1.00 0.00 C ATOM 1248 OH TYR A 85 11.672 1.247 -6.580 1.00 0.00 O ATOM 0 H TYR A 85 4.939 -1.051 -5.198 1.00 0.00 H new ATOM 0 HA TYR A 85 7.379 -2.714 -5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.451 -0.223 -3.762 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.521 -1.301 -2.887 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.252 0.418 -6.213 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.836 -1.064 -3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.183 1.383 -7.384 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.768 -0.094 -4.331 1.00 0.00 H new ATOM 0 HH TYR A 85 12.489 1.057 -6.074 1.00 0.00 H new ATOM 1258 N VAL A 86 4.826 -3.699 -3.929 1.00 0.00 N ATOM 1259 CA VAL A 86 4.142 -4.640 -3.049 1.00 0.00 C ATOM 1260 C VAL A 86 3.449 -5.736 -3.850 1.00 0.00 C ATOM 1261 O VAL A 86 2.862 -5.476 -4.901 1.00 0.00 O ATOM 1262 CB VAL A 86 3.101 -3.927 -2.166 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.758 -2.828 -1.346 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.974 -3.365 -3.020 1.00 0.00 C ATOM 0 H VAL A 86 4.334 -3.503 -4.801 1.00 0.00 H new ATOM 0 HA VAL A 86 4.903 -5.088 -2.410 1.00 0.00 H new ATOM 0 HB VAL A 86 2.675 -4.656 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.006 -2.336 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.526 -3.262 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.213 -2.098 -2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.247 -2.865 -2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.381 -2.650 -3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.485 -4.177 -3.558 1.00 0.00 H new ATOM 1274 N LYS A 87 3.520 -6.964 -3.347 1.00 0.00 N ATOM 1275 CA LYS A 87 2.897 -8.101 -4.013 1.00 0.00 C ATOM 1276 C LYS A 87 1.775 -8.684 -3.161 1.00 0.00 C ATOM 1277 O LYS A 87 2.001 -9.116 -2.031 1.00 0.00 O ATOM 1278 CB LYS A 87 3.942 -9.181 -4.306 1.00 0.00 C ATOM 1279 CG LYS A 87 3.341 -10.513 -4.720 1.00 0.00 C ATOM 1280 CD LYS A 87 2.659 -10.419 -6.075 1.00 0.00 C ATOM 1281 CE LYS A 87 3.646 -10.633 -7.212 1.00 0.00 C ATOM 1282 NZ LYS A 87 3.916 -12.078 -7.449 1.00 0.00 N ATOM 0 H LYS A 87 4.003 -7.197 -2.480 1.00 0.00 H new ATOM 0 HA LYS A 87 2.471 -7.750 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.604 -8.829 -5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.557 -9.330 -3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.124 -11.271 -4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.619 -10.837 -3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.865 -11.163 -6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.188 -9.441 -6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.253 -10.183 -8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.581 -10.122 -6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.593 -12.181 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.315 -12.502 -6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.028 -12.561 -7.694 1.00 0.00 H new ATOM 1296 N MET A 88 0.565 -8.694 -3.710 1.00 0.00 N ATOM 1297 CA MET A 88 -0.592 -9.226 -3.000 1.00 0.00 C ATOM 1298 C MET A 88 -0.257 -10.558 -2.336 1.00 0.00 C ATOM 1299 O MET A 88 0.083 -11.532 -3.009 1.00 0.00 O ATOM 1300 CB MET A 88 -1.770 -9.405 -3.961 1.00 0.00 C ATOM 1301 CG MET A 88 -2.493 -8.107 -4.283 1.00 0.00 C ATOM 1302 SD MET A 88 -3.772 -7.707 -3.078 1.00 0.00 S ATOM 1303 CE MET A 88 -3.874 -5.929 -3.269 1.00 0.00 C ATOM 0 H MET A 88 0.360 -8.340 -4.644 1.00 0.00 H new ATOM 0 HA MET A 88 -0.870 -8.512 -2.224 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.408 -9.850 -4.888 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.480 -10.109 -3.526 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.769 -7.293 -4.323 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.943 -8.182 -5.273 1.00 0.00 H new ATOM 0 HE1 MET A 88 -3.485 -5.444 -2.374 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.285 -5.622 -4.133 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.914 -5.638 -3.417 1.00 0.00 H new ATOM 1313 N THR A 89 -0.355 -10.595 -1.010 1.00 0.00 N ATOM 1314 CA THR A 89 -0.060 -11.806 -0.256 1.00 0.00 C ATOM 1315 C THR A 89 -0.923 -12.971 -0.727 1.00 0.00 C ATOM 1316 O THR A 89 -0.415 -14.050 -1.033 1.00 0.00 O ATOM 1317 CB THR A 89 -0.283 -11.595 1.254 1.00 0.00 C ATOM 1318 OG1 THR A 89 -1.641 -11.213 1.500 1.00 0.00 O ATOM 1319 CG2 THR A 89 0.656 -10.528 1.796 1.00 0.00 C ATOM 0 H THR A 89 -0.637 -9.799 -0.437 1.00 0.00 H new ATOM 0 HA THR A 89 0.990 -12.040 -0.432 1.00 0.00 H new ATOM 0 HB THR A 89 -0.072 -12.535 1.765 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.769 -10.277 1.241 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.480 -10.397 2.864 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.689 -10.836 1.634 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.473 -9.586 1.280 1.00 0.00 H new ATOM 1327 N THR A 90 -2.232 -12.747 -0.784 1.00 0.00 N ATOM 1328 CA THR A 90 -3.166 -13.778 -1.218 1.00 0.00 C ATOM 1329 C THR A 90 -2.972 -15.065 -0.424 1.00 0.00 C ATOM 1330 O THR A 90 -3.157 -16.163 -0.949 1.00 0.00 O ATOM 1331 CB THR A 90 -3.006 -14.085 -2.719 1.00 0.00 C ATOM 1332 OG1 THR A 90 -2.034 -15.120 -2.906 1.00 0.00 O ATOM 1333 CG2 THR A 90 -2.583 -12.840 -3.484 1.00 0.00 C ATOM 0 H THR A 90 -2.669 -11.860 -0.535 1.00 0.00 H new ATOM 0 HA THR A 90 -4.169 -13.391 -1.039 1.00 0.00 H new ATOM 0 HB THR A 90 -3.970 -14.418 -3.104 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.383 -15.964 -2.551 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.476 -13.081 -4.542 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.339 -12.064 -3.363 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.630 -12.481 -3.096 1.00 0.00 H new ATOM 1341 N ASP A 91 -2.600 -14.922 0.843 1.00 0.00 N ATOM 1342 CA ASP A 91 -2.383 -16.074 1.711 1.00 0.00 C ATOM 1343 C ASP A 91 -3.707 -16.605 2.251 1.00 0.00 C ATOM 1344 O ASP A 91 -4.626 -15.837 2.535 1.00 0.00 O ATOM 1345 CB ASP A 91 -1.459 -15.699 2.870 1.00 0.00 C ATOM 1346 CG ASP A 91 -1.911 -14.442 3.588 1.00 0.00 C ATOM 1347 OD1 ASP A 91 -1.865 -13.358 2.971 1.00 0.00 O ATOM 1348 OD2 ASP A 91 -2.311 -14.543 4.767 1.00 0.00 O ATOM 0 H ASP A 91 -2.442 -14.020 1.292 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.912 -16.859 1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.418 -16.525 3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -0.447 -15.554 2.492 1.00 0.00 H new ATOM 1353 N SER A 92 -3.798 -17.924 2.388 1.00 0.00 N ATOM 1354 CA SER A 92 -5.011 -18.558 2.889 1.00 0.00 C ATOM 1355 C SER A 92 -5.290 -18.138 4.329 1.00 0.00 C ATOM 1356 O SER A 92 -4.592 -18.553 5.255 1.00 0.00 O ATOM 1357 CB SER A 92 -4.888 -20.081 2.806 1.00 0.00 C ATOM 1358 OG SER A 92 -4.621 -20.499 1.478 1.00 0.00 O ATOM 0 H SER A 92 -3.046 -18.574 2.159 1.00 0.00 H new ATOM 0 HA SER A 92 -5.844 -18.233 2.266 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.089 -20.421 3.465 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.810 -20.543 3.158 1.00 0.00 H new ATOM 0 HG SER A 92 -4.545 -21.476 1.451 1.00 0.00 H new ATOM 1364 N SER A 93 -6.314 -17.311 4.510 1.00 0.00 N ATOM 1365 CA SER A 93 -6.684 -16.830 5.836 1.00 0.00 C ATOM 1366 C SER A 93 -8.136 -17.172 6.153 1.00 0.00 C ATOM 1367 O SER A 93 -8.886 -16.338 6.660 1.00 0.00 O ATOM 1368 CB SER A 93 -6.472 -15.318 5.931 1.00 0.00 C ATOM 1369 OG SER A 93 -5.162 -15.013 6.380 1.00 0.00 O ATOM 0 H SER A 93 -6.903 -16.960 3.755 1.00 0.00 H new ATOM 0 HA SER A 93 -6.045 -17.326 6.566 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.641 -14.862 4.955 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.204 -14.887 6.615 1.00 0.00 H new ATOM 0 HG SER A 93 -5.052 -14.041 6.430 1.00 0.00 H new ATOM 1375 N GLY A 94 -8.527 -18.406 5.850 1.00 0.00 N ATOM 1376 CA GLY A 94 -9.888 -18.838 6.109 1.00 0.00 C ATOM 1377 C GLY A 94 -10.006 -20.345 6.224 1.00 0.00 C ATOM 1378 O GLY A 94 -9.804 -20.925 7.291 1.00 0.00 O ATOM 0 H GLY A 94 -7.925 -19.114 5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.243 -18.377 7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.537 -18.486 5.307 1.00 0.00 H new ATOM 1382 N PRO A 95 -10.343 -21.003 5.105 1.00 0.00 N ATOM 1383 CA PRO A 95 -10.497 -22.461 5.060 1.00 0.00 C ATOM 1384 C PRO A 95 -9.165 -23.189 5.204 1.00 0.00 C ATOM 1385 O PRO A 95 -8.129 -22.704 4.748 1.00 0.00 O ATOM 1386 CB PRO A 95 -11.096 -22.711 3.674 1.00 0.00 C ATOM 1387 CG PRO A 95 -10.657 -21.546 2.855 1.00 0.00 C ATOM 1388 CD PRO A 95 -10.599 -20.376 3.798 1.00 0.00 C ATOM 0 HA PRO A 95 -11.113 -22.832 5.879 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -10.737 -23.650 3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.183 -22.776 3.719 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -9.683 -21.732 2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.356 -21.356 2.040 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -9.807 -19.679 3.525 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.533 -19.814 3.798 1.00 0.00 H new ATOM 1396 N SER A 96 -9.199 -24.355 5.840 1.00 0.00 N ATOM 1397 CA SER A 96 -7.993 -25.149 6.048 1.00 0.00 C ATOM 1398 C SER A 96 -7.679 -25.991 4.815 1.00 0.00 C ATOM 1399 O SER A 96 -8.374 -26.964 4.521 1.00 0.00 O ATOM 1400 CB SER A 96 -8.157 -26.054 7.270 1.00 0.00 C ATOM 1401 OG SER A 96 -7.997 -25.321 8.472 1.00 0.00 O ATOM 0 H SER A 96 -10.049 -24.772 6.221 1.00 0.00 H new ATOM 0 HA SER A 96 -7.162 -24.465 6.221 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.143 -26.519 7.252 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.424 -26.859 7.231 1.00 0.00 H new ATOM 0 HG SER A 96 -8.108 -25.921 9.239 1.00 0.00 H new ATOM 1407 N SER A 97 -6.627 -25.610 4.098 1.00 0.00 N ATOM 1408 CA SER A 97 -6.222 -26.327 2.894 1.00 0.00 C ATOM 1409 C SER A 97 -5.922 -27.789 3.208 1.00 0.00 C ATOM 1410 O SER A 97 -5.283 -28.102 4.212 1.00 0.00 O ATOM 1411 CB SER A 97 -4.991 -25.665 2.271 1.00 0.00 C ATOM 1412 OG SER A 97 -5.341 -24.466 1.602 1.00 0.00 O ATOM 0 H SER A 97 -6.039 -24.809 4.330 1.00 0.00 H new ATOM 0 HA SER A 97 -7.047 -26.288 2.182 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.257 -25.451 3.048 1.00 0.00 H new ATOM 0 HB3 SER A 97 -4.520 -26.353 1.569 1.00 0.00 H new ATOM 0 HG SER A 97 -4.537 -24.061 1.214 1.00 0.00 H new ATOM 1418 N GLY A 98 -6.390 -28.682 2.341 1.00 0.00 N ATOM 1419 CA GLY A 98 -6.164 -30.101 2.543 1.00 0.00 C ATOM 1420 C GLY A 98 -5.668 -30.793 1.288 1.00 0.00 C ATOM 1421 O GLY A 98 -6.280 -31.751 0.817 1.00 0.00 O ATOM 0 H GLY A 98 -6.922 -28.448 1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.436 -30.240 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.091 -30.571 2.871 1.00 0.00 H new TER 1425 GLY A 98