USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 844 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 55 THR OG1 : rot 124:sc= 0.00917 USER MOD Set 1.2: A 116 SER OG : rot 180:sc= 0.0117 USER MOD Set 2.1: A 87 TYR OH : rot 120:sc= -2.76! USER MOD Set 2.2: A 89 GLN : amide:sc= -0.917 X(o=-3.7,f=-3.6) USER MOD Set 3.1: A 23 GLN :FLIP amide:sc= -0.401 X(o=-0.39,f=0.098) USER MOD Set 3.2: A 32 GLN :FLIP amide:sc= 0.5 X(o=-0.4,f=0.098) USER MOD Set 4.1: A 12 THR OG1 : rot -3:sc= -0.584 USER MOD Set 4.2: A 15 SER OG : rot -33:sc= 1.57 USER MOD Single : A 8 SER OG : rot -12:sc= 0.769 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00278 USER MOD Single : A 11 TYR OH : rot 150:sc= -0.255 USER MOD Single : A 17 SER OG : rot 57:sc= -0.227 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 157:sc= -2.57! USER MOD Single : A 41 ASN : amide:sc= -0.0762 K(o=-0.076,f=-1.2) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 50 TYR OH : rot -12:sc= -4.01! USER MOD Single : A 53 ASN :FLIP amide:sc= -4.17! C(o=-6.6!,f=-4.2!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 175:sc= -0.133 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -93:sc= 0.186 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 138:sc= -1.48 (180deg=-1.95!) USER MOD Single : A 65 ASN :FLIP amide:sc= -3.27 F(o=-5.9!,f=-3.3) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 69 MET CE :methyl 143:sc= -18.4! (180deg=-26!) USER MOD Single : A 72 THR OG1 : rot 88:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 80:sc= 0.0595 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 90 THR OG1 : rot 44:sc= 0.0337 USER MOD Single : A 91 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000792) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0572 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.62) USER MOD Single : A 98 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-6.8!) USER MOD Single : A 99 SER OG : rot 17:sc= 0.439! USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -162:sc= -6.38! (180deg=-7.98!) USER MOD Single : A 113 ASN : amide:sc= -0.748 K(o=-0.75,f=-8.2!) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 9.048 -10.356 1.040 1.00 0.00 N ATOM 2 CA SER A 8 8.667 -8.947 1.005 1.00 0.00 C ATOM 3 C SER A 8 8.209 -8.558 -0.393 1.00 0.00 C ATOM 4 O SER A 8 8.680 -9.121 -1.381 1.00 0.00 O ATOM 5 CB SER A 8 9.853 -8.070 1.411 1.00 0.00 C ATOM 6 OG SER A 8 11.072 -8.789 1.331 1.00 0.00 O ATOM 0 HA SER A 8 7.847 -8.795 1.707 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.900 -7.195 0.763 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.708 -7.706 2.428 1.00 0.00 H new ATOM 0 HG SER A 8 10.882 -9.743 1.214 1.00 0.00 H new ATOM 12 N TRP A 9 7.296 -7.596 -0.485 1.00 0.00 N ATOM 13 CA TRP A 9 6.810 -7.166 -1.784 1.00 0.00 C ATOM 14 C TRP A 9 6.709 -5.647 -1.845 1.00 0.00 C ATOM 15 O TRP A 9 5.780 -5.052 -1.301 1.00 0.00 O ATOM 16 CB TRP A 9 5.450 -7.817 -2.072 1.00 0.00 C ATOM 17 CG TRP A 9 5.390 -9.255 -1.642 1.00 0.00 C ATOM 18 CD1 TRP A 9 5.284 -10.355 -2.445 1.00 0.00 C ATOM 19 CD2 TRP A 9 5.448 -9.747 -0.298 1.00 0.00 C ATOM 20 NE1 TRP A 9 5.279 -11.499 -1.679 1.00 0.00 N ATOM 21 CE2 TRP A 9 5.378 -11.149 -0.357 1.00 0.00 C ATOM 22 CE3 TRP A 9 5.553 -9.133 0.949 1.00 0.00 C ATOM 23 CZ2 TRP A 9 5.415 -11.942 0.789 1.00 0.00 C ATOM 24 CZ3 TRP A 9 5.592 -9.914 2.079 1.00 0.00 C ATOM 25 CH2 TRP A 9 5.524 -11.301 1.997 1.00 0.00 C ATOM 0 H TRP A 9 6.886 -7.109 0.312 1.00 0.00 H new ATOM 0 HA TRP A 9 7.518 -7.484 -2.549 1.00 0.00 H new ATOM 0 HB2 TRP A 9 4.668 -7.256 -1.559 1.00 0.00 H new ATOM 0 HB3 TRP A 9 5.240 -7.753 -3.140 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.214 -10.331 -3.522 1.00 0.00 H new ATOM 0 HE1 TRP A 9 5.212 -12.452 -2.037 1.00 0.00 H new ATOM 0 HE3 TRP A 9 5.603 -8.057 1.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 5.360 -13.019 0.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.677 -9.443 3.047 1.00 0.00 H new ATOM 0 HH2 TRP A 9 5.558 -11.886 2.904 1.00 0.00 H new ATOM 36 N THR A 10 7.669 -5.025 -2.528 1.00 0.00 N ATOM 37 CA THR A 10 7.678 -3.576 -2.675 1.00 0.00 C ATOM 38 C THR A 10 6.965 -3.189 -3.952 1.00 0.00 C ATOM 39 O THR A 10 7.550 -3.198 -5.036 1.00 0.00 O ATOM 40 CB THR A 10 9.103 -3.020 -2.689 1.00 0.00 C ATOM 41 OG1 THR A 10 10.041 -4.019 -2.328 1.00 0.00 O ATOM 42 CG2 THR A 10 9.287 -1.847 -1.750 1.00 0.00 C ATOM 0 H THR A 10 8.446 -5.502 -2.985 1.00 0.00 H new ATOM 0 HA THR A 10 7.160 -3.148 -1.817 1.00 0.00 H new ATOM 0 HB THR A 10 9.274 -2.681 -3.711 1.00 0.00 H new ATOM 0 HG1 THR A 10 10.945 -3.641 -2.346 1.00 0.00 H new ATOM 0 HG21 THR A 10 10.318 -1.496 -1.804 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.613 -1.040 -2.039 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.063 -2.159 -0.730 1.00 0.00 H new ATOM 50 N TYR A 11 5.697 -2.862 -3.818 1.00 0.00 N ATOM 51 CA TYR A 11 4.886 -2.486 -4.952 1.00 0.00 C ATOM 52 C TYR A 11 5.191 -1.055 -5.393 1.00 0.00 C ATOM 53 O TYR A 11 4.631 -0.098 -4.857 1.00 0.00 O ATOM 54 CB TYR A 11 3.425 -2.638 -4.558 1.00 0.00 C ATOM 55 CG TYR A 11 2.930 -4.070 -4.547 1.00 0.00 C ATOM 56 CD1 TYR A 11 3.816 -5.142 -4.613 1.00 0.00 C ATOM 57 CD2 TYR A 11 1.572 -4.349 -4.455 1.00 0.00 C ATOM 58 CE1 TYR A 11 3.362 -6.446 -4.588 1.00 0.00 C ATOM 59 CE2 TYR A 11 1.112 -5.651 -4.432 1.00 0.00 C ATOM 60 CZ TYR A 11 2.010 -6.695 -4.498 1.00 0.00 C ATOM 61 OH TYR A 11 1.554 -7.994 -4.472 1.00 0.00 O ATOM 0 H TYR A 11 5.204 -2.850 -2.925 1.00 0.00 H new ATOM 0 HA TYR A 11 5.110 -3.133 -5.800 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.281 -2.208 -3.567 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.812 -2.059 -5.249 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.876 -4.950 -4.685 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.865 -3.535 -4.401 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.063 -7.266 -4.639 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.053 -5.851 -4.363 1.00 0.00 H new ATOM 0 HH TYR A 11 0.724 -8.039 -3.952 1.00 0.00 H new ATOM 71 N THR A 12 6.082 -0.918 -6.374 1.00 0.00 N ATOM 72 CA THR A 12 6.461 0.395 -6.889 1.00 0.00 C ATOM 73 C THR A 12 5.264 1.082 -7.547 1.00 0.00 C ATOM 74 O THR A 12 4.535 0.462 -8.320 1.00 0.00 O ATOM 75 CB THR A 12 7.605 0.263 -7.897 1.00 0.00 C ATOM 76 OG1 THR A 12 7.177 -0.434 -9.052 1.00 0.00 O ATOM 77 CG2 THR A 12 8.809 -0.466 -7.340 1.00 0.00 C ATOM 0 H THR A 12 6.554 -1.700 -6.827 1.00 0.00 H new ATOM 0 HA THR A 12 6.797 1.005 -6.051 1.00 0.00 H new ATOM 0 HB THR A 12 7.898 1.285 -8.139 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.249 -0.725 -8.933 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.584 -0.526 -8.104 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.193 0.074 -6.475 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.518 -1.472 -7.039 1.00 0.00 H new ATOM 85 N ALA A 13 5.054 2.355 -7.222 1.00 0.00 N ATOM 86 CA ALA A 13 3.927 3.106 -7.770 1.00 0.00 C ATOM 87 C ALA A 13 4.062 3.341 -9.270 1.00 0.00 C ATOM 88 O ALA A 13 3.058 3.453 -9.974 1.00 0.00 O ATOM 89 CB ALA A 13 3.757 4.424 -7.031 1.00 0.00 C ATOM 0 H ALA A 13 5.647 2.887 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 13 3.033 2.500 -7.623 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.913 4.971 -7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.572 4.228 -5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.664 5.020 -7.136 1.00 0.00 H new ATOM 95 N ALA A 14 5.291 3.411 -9.764 1.00 0.00 N ATOM 96 CA ALA A 14 5.506 3.626 -11.189 1.00 0.00 C ATOM 97 C ALA A 14 5.095 2.396 -11.987 1.00 0.00 C ATOM 98 O ALA A 14 4.771 2.492 -13.171 1.00 0.00 O ATOM 99 CB ALA A 14 6.948 4.005 -11.470 1.00 0.00 C ATOM 0 H ALA A 14 6.142 3.324 -9.209 1.00 0.00 H new ATOM 0 HA ALA A 14 4.877 4.458 -11.506 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.082 4.160 -12.541 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.193 4.924 -10.937 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.607 3.204 -11.134 1.00 0.00 H new ATOM 105 N SER A 15 5.081 1.244 -11.325 1.00 0.00 N ATOM 106 CA SER A 15 4.677 0.002 -11.970 1.00 0.00 C ATOM 107 C SER A 15 3.154 -0.119 -11.965 1.00 0.00 C ATOM 108 O SER A 15 2.591 -1.055 -12.535 1.00 0.00 O ATOM 109 CB SER A 15 5.303 -1.198 -11.258 1.00 0.00 C ATOM 110 OG SER A 15 4.651 -1.458 -10.028 1.00 0.00 O ATOM 0 H SER A 15 5.344 1.145 -10.344 1.00 0.00 H new ATOM 0 HA SER A 15 5.028 0.015 -13.002 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.242 -2.078 -11.899 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.361 -1.007 -11.079 1.00 0.00 H new ATOM 0 HG SER A 15 4.348 -0.614 -9.634 1.00 0.00 H new ATOM 116 N ALA A 16 2.497 0.840 -11.315 1.00 0.00 N ATOM 117 CA ALA A 16 1.044 0.862 -11.224 1.00 0.00 C ATOM 118 C ALA A 16 0.446 1.720 -12.336 1.00 0.00 C ATOM 119 O ALA A 16 1.117 2.030 -13.320 1.00 0.00 O ATOM 120 CB ALA A 16 0.624 1.388 -9.858 1.00 0.00 C ATOM 0 H ALA A 16 2.956 1.617 -10.841 1.00 0.00 H new ATOM 0 HA ALA A 16 0.668 -0.154 -11.345 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.464 1.403 -9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.025 0.739 -9.079 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.010 2.398 -9.723 1.00 0.00 H new ATOM 126 N SER A 17 -0.816 2.106 -12.173 1.00 0.00 N ATOM 127 CA SER A 17 -1.495 2.931 -13.166 1.00 0.00 C ATOM 128 C SER A 17 -1.827 4.306 -12.595 1.00 0.00 C ATOM 129 O SER A 17 -2.766 4.456 -11.812 1.00 0.00 O ATOM 130 CB SER A 17 -2.772 2.242 -13.648 1.00 0.00 C ATOM 131 OG SER A 17 -3.811 2.369 -12.694 1.00 0.00 O ATOM 0 H SER A 17 -1.388 1.861 -11.365 1.00 0.00 H new ATOM 0 HA SER A 17 -0.822 3.063 -14.013 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.089 2.678 -14.595 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.572 1.187 -13.834 1.00 0.00 H new ATOM 0 HG SER A 17 -3.968 3.318 -12.506 1.00 0.00 H new ATOM 137 N ILE A 18 -1.049 5.307 -12.992 1.00 0.00 N ATOM 138 CA ILE A 18 -1.255 6.673 -12.526 1.00 0.00 C ATOM 139 C ILE A 18 -2.321 7.373 -13.367 1.00 0.00 C ATOM 140 O ILE A 18 -2.060 7.784 -14.497 1.00 0.00 O ATOM 141 CB ILE A 18 0.071 7.477 -12.573 1.00 0.00 C ATOM 142 CG1 ILE A 18 0.847 7.323 -11.271 1.00 0.00 C ATOM 143 CG2 ILE A 18 -0.171 8.942 -12.826 1.00 0.00 C ATOM 144 CD1 ILE A 18 1.323 5.934 -11.044 1.00 0.00 C ATOM 0 H ILE A 18 -0.267 5.197 -13.638 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.597 6.628 -11.492 1.00 0.00 H new ATOM 0 HB ILE A 18 0.654 7.070 -13.399 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.703 7.998 -11.282 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.213 7.625 -10.438 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.783 9.469 -12.851 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.680 9.067 -13.782 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.791 9.351 -12.028 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.869 5.886 -10.102 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.468 5.259 -11.003 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.982 5.637 -11.860 1.00 0.00 H new ATOM 156 N THR A 19 -3.522 7.504 -12.809 1.00 0.00 N ATOM 157 CA THR A 19 -4.621 8.155 -13.513 1.00 0.00 C ATOM 158 C THR A 19 -4.815 9.584 -13.017 1.00 0.00 C ATOM 159 O THR A 19 -4.991 9.816 -11.821 1.00 0.00 O ATOM 160 CB THR A 19 -5.914 7.359 -13.324 1.00 0.00 C ATOM 161 OG1 THR A 19 -5.752 6.024 -13.771 1.00 0.00 O ATOM 162 CG2 THR A 19 -7.095 7.951 -14.062 1.00 0.00 C ATOM 0 H THR A 19 -3.757 7.169 -11.875 1.00 0.00 H new ATOM 0 HA THR A 19 -4.372 8.189 -14.574 1.00 0.00 H new ATOM 0 HB THR A 19 -6.121 7.394 -12.254 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.589 5.531 -13.640 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.979 7.338 -13.885 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.278 8.964 -13.703 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.880 7.978 -15.130 1.00 0.00 H new ATOM 170 N ALA A 20 -4.785 10.541 -13.944 1.00 0.00 N ATOM 171 CA ALA A 20 -4.962 11.951 -13.601 1.00 0.00 C ATOM 172 C ALA A 20 -6.133 12.135 -12.637 1.00 0.00 C ATOM 173 O ALA A 20 -7.117 11.399 -12.710 1.00 0.00 O ATOM 174 CB ALA A 20 -5.180 12.775 -14.861 1.00 0.00 C ATOM 0 H ALA A 20 -4.640 10.365 -14.938 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.056 12.298 -13.105 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.311 13.823 -14.592 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.315 12.673 -15.516 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.071 12.420 -15.379 1.00 0.00 H new ATOM 180 N PRO A 21 -6.051 13.108 -11.707 1.00 0.00 N ATOM 181 CA PRO A 21 -4.904 14.025 -11.562 1.00 0.00 C ATOM 182 C PRO A 21 -3.637 13.350 -11.045 1.00 0.00 C ATOM 183 O PRO A 21 -2.624 14.015 -10.829 1.00 0.00 O ATOM 184 CB PRO A 21 -5.398 15.031 -10.522 1.00 0.00 C ATOM 185 CG PRO A 21 -6.382 14.258 -9.720 1.00 0.00 C ATOM 186 CD PRO A 21 -7.099 13.399 -10.717 1.00 0.00 C ATOM 0 HA PRO A 21 -4.621 14.450 -12.525 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.580 15.401 -9.903 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.859 15.899 -10.993 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.886 13.653 -8.961 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.074 14.919 -9.198 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.489 12.489 -10.261 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.946 13.919 -11.165 1.00 0.00 H new ATOM 194 N ALA A 22 -3.684 12.038 -10.841 1.00 0.00 N ATOM 195 CA ALA A 22 -2.521 11.320 -10.347 1.00 0.00 C ATOM 196 C ALA A 22 -1.349 11.490 -11.302 1.00 0.00 C ATOM 197 O ALA A 22 -1.523 11.506 -12.520 1.00 0.00 O ATOM 198 CB ALA A 22 -2.840 9.848 -10.150 1.00 0.00 C ATOM 0 H ALA A 22 -4.506 11.458 -11.009 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.244 11.739 -9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.955 9.330 -9.780 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.650 9.745 -9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.145 9.411 -11.101 1.00 0.00 H new ATOM 204 N GLN A 23 -0.159 11.633 -10.739 1.00 0.00 N ATOM 205 CA GLN A 23 1.044 11.819 -11.539 1.00 0.00 C ATOM 206 C GLN A 23 2.251 11.171 -10.877 1.00 0.00 C ATOM 207 O GLN A 23 2.616 11.516 -9.753 1.00 0.00 O ATOM 208 CB GLN A 23 1.309 13.311 -11.753 1.00 0.00 C ATOM 209 CG GLN A 23 1.521 14.083 -10.461 1.00 0.00 C ATOM 210 CD GLN A 23 0.533 15.221 -10.292 1.00 0.00 C ATOM 211 OE1 GLN A 23 -0.553 14.960 -9.574 1.00 0.00 O flip ATOM 212 NE2 GLN A 23 0.744 16.322 -10.801 1.00 0.00 N flip ATOM 0 H GLN A 23 0.001 11.624 -9.732 1.00 0.00 H new ATOM 0 HA GLN A 23 0.883 11.338 -12.504 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.189 13.428 -12.385 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.469 13.747 -12.293 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.431 13.401 -9.616 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.535 14.482 -10.443 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.592 16.478 -11.345 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.070 17.078 -10.679 1.00 0.00 H new ATOM 221 N LEU A 24 2.865 10.228 -11.579 1.00 0.00 N ATOM 222 CA LEU A 24 4.027 9.528 -11.062 1.00 0.00 C ATOM 223 C LEU A 24 5.291 10.371 -11.208 1.00 0.00 C ATOM 224 O LEU A 24 5.777 10.597 -12.316 1.00 0.00 O ATOM 225 CB LEU A 24 4.197 8.207 -11.809 1.00 0.00 C ATOM 226 CG LEU A 24 4.468 6.978 -10.942 1.00 0.00 C ATOM 227 CD1 LEU A 24 5.950 6.861 -10.636 1.00 0.00 C ATOM 228 CD2 LEU A 24 3.663 7.015 -9.653 1.00 0.00 C ATOM 0 H LEU A 24 2.574 9.931 -12.511 1.00 0.00 H new ATOM 0 HA LEU A 24 3.870 9.337 -10.000 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.295 8.024 -12.393 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.018 8.316 -12.517 1.00 0.00 H new ATOM 0 HG LEU A 24 4.153 6.100 -11.506 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.125 5.981 -10.018 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.508 6.767 -11.568 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.283 7.751 -10.102 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.881 6.125 -9.062 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.930 7.904 -9.082 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.599 7.042 -9.889 1.00 0.00 H new ATOM 240 N VAL A 25 5.819 10.824 -10.077 1.00 0.00 N ATOM 241 CA VAL A 25 7.031 11.633 -10.064 1.00 0.00 C ATOM 242 C VAL A 25 8.088 10.996 -9.171 1.00 0.00 C ATOM 243 O VAL A 25 7.892 10.856 -7.964 1.00 0.00 O ATOM 244 CB VAL A 25 6.748 13.065 -9.570 1.00 0.00 C ATOM 245 CG1 VAL A 25 6.044 13.872 -10.650 1.00 0.00 C ATOM 246 CG2 VAL A 25 5.925 13.037 -8.292 1.00 0.00 C ATOM 0 H VAL A 25 5.425 10.644 -9.154 1.00 0.00 H new ATOM 0 HA VAL A 25 7.398 11.683 -11.089 1.00 0.00 H new ATOM 0 HB VAL A 25 7.700 13.549 -9.350 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.852 14.880 -10.284 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.676 13.922 -11.537 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.099 13.392 -10.905 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.736 14.057 -7.959 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.976 12.535 -8.481 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.472 12.499 -7.518 1.00 0.00 H new ATOM 256 N GLY A 26 9.206 10.598 -9.771 1.00 0.00 N ATOM 257 CA GLY A 26 10.269 9.970 -9.010 1.00 0.00 C ATOM 258 C GLY A 26 9.804 8.709 -8.309 1.00 0.00 C ATOM 259 O GLY A 26 10.197 8.439 -7.174 1.00 0.00 O ATOM 0 H GLY A 26 9.394 10.699 -10.768 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.097 9.729 -9.677 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.650 10.675 -8.271 1.00 0.00 H new ATOM 263 N ASN A 27 8.960 7.936 -8.988 1.00 0.00 N ATOM 264 CA ASN A 27 8.433 6.696 -8.427 1.00 0.00 C ATOM 265 C ASN A 27 7.505 6.982 -7.249 1.00 0.00 C ATOM 266 O ASN A 27 7.494 6.248 -6.261 1.00 0.00 O ATOM 267 CB ASN A 27 9.580 5.777 -7.988 1.00 0.00 C ATOM 268 CG ASN A 27 9.791 4.618 -8.943 1.00 0.00 C ATOM 269 OD1 ASN A 27 9.487 3.470 -8.620 1.00 0.00 O ATOM 270 ND2 ASN A 27 10.315 4.914 -10.127 1.00 0.00 N ATOM 0 H ASN A 27 8.626 8.147 -9.928 1.00 0.00 H new ATOM 0 HA ASN A 27 7.856 6.192 -9.202 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.500 6.357 -7.917 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.370 5.389 -6.991 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.480 4.175 -10.811 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.552 5.880 -10.353 1.00 0.00 H new ATOM 277 N VAL A 28 6.731 8.058 -7.357 1.00 0.00 N ATOM 278 CA VAL A 28 5.806 8.442 -6.298 1.00 0.00 C ATOM 279 C VAL A 28 4.439 8.829 -6.861 1.00 0.00 C ATOM 280 O VAL A 28 4.270 9.918 -7.410 1.00 0.00 O ATOM 281 CB VAL A 28 6.363 9.620 -5.480 1.00 0.00 C ATOM 282 CG1 VAL A 28 5.473 9.914 -4.282 1.00 0.00 C ATOM 283 CG2 VAL A 28 7.790 9.332 -5.036 1.00 0.00 C ATOM 0 H VAL A 28 6.727 8.678 -8.167 1.00 0.00 H new ATOM 0 HA VAL A 28 5.689 7.573 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 28 6.374 10.505 -6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.886 10.750 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.471 10.169 -4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.423 9.034 -3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.169 10.175 -4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.805 8.434 -4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.420 9.180 -5.912 1.00 0.00 H new ATOM 293 N GLY A 29 3.465 7.933 -6.714 1.00 0.00 N ATOM 294 CA GLY A 29 2.125 8.206 -7.207 1.00 0.00 C ATOM 295 C GLY A 29 1.438 9.298 -6.417 1.00 0.00 C ATOM 296 O GLY A 29 0.711 9.027 -5.465 1.00 0.00 O ATOM 0 H GLY A 29 3.580 7.025 -6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.178 8.497 -8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.529 7.295 -7.159 1.00 0.00 H new ATOM 300 N GLU A 30 1.674 10.540 -6.808 1.00 0.00 N ATOM 301 CA GLU A 30 1.081 11.679 -6.119 1.00 0.00 C ATOM 302 C GLU A 30 -0.321 11.975 -6.629 1.00 0.00 C ATOM 303 O GLU A 30 -0.492 12.626 -7.660 1.00 0.00 O ATOM 304 CB GLU A 30 1.965 12.917 -6.283 1.00 0.00 C ATOM 305 CG GLU A 30 3.418 12.685 -5.896 1.00 0.00 C ATOM 306 CD GLU A 30 4.183 13.979 -5.697 1.00 0.00 C ATOM 307 OE1 GLU A 30 3.628 15.053 -6.011 1.00 0.00 O ATOM 308 OE2 GLU A 30 5.339 13.918 -5.225 1.00 0.00 O ATOM 0 H GLU A 30 2.271 10.787 -7.597 1.00 0.00 H new ATOM 0 HA GLU A 30 1.008 11.422 -5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.923 13.248 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.560 13.725 -5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.456 12.100 -4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.906 12.094 -6.671 1.00 0.00 H new ATOM 315 N LEU A 31 -1.328 11.515 -5.890 1.00 0.00 N ATOM 316 CA LEU A 31 -2.709 11.763 -6.272 1.00 0.00 C ATOM 317 C LEU A 31 -3.113 13.171 -5.855 1.00 0.00 C ATOM 318 O LEU A 31 -2.606 13.699 -4.862 1.00 0.00 O ATOM 319 CB LEU A 31 -3.661 10.761 -5.627 1.00 0.00 C ATOM 320 CG LEU A 31 -3.376 9.294 -5.943 1.00 0.00 C ATOM 321 CD1 LEU A 31 -4.071 8.380 -4.936 1.00 0.00 C ATOM 322 CD2 LEU A 31 -3.818 8.979 -7.365 1.00 0.00 C ATOM 0 H LEU A 31 -1.212 10.974 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.777 11.654 -7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.627 10.896 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.677 10.993 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.304 9.116 -5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.855 7.340 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.707 8.601 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.148 8.546 -4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.613 7.932 -7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.887 9.168 -7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.271 9.611 -8.064 1.00 0.00 H new ATOM 334 N GLN A 32 -4.020 13.776 -6.608 1.00 0.00 N ATOM 335 CA GLN A 32 -4.473 15.125 -6.302 1.00 0.00 C ATOM 336 C GLN A 32 -5.994 15.206 -6.262 1.00 0.00 C ATOM 337 O GLN A 32 -6.674 14.716 -7.157 1.00 0.00 O ATOM 338 CB GLN A 32 -3.924 16.101 -7.344 1.00 0.00 C ATOM 339 CG GLN A 32 -3.313 17.353 -6.742 1.00 0.00 C ATOM 340 CD GLN A 32 -1.847 17.180 -6.403 1.00 0.00 C ATOM 341 OE1 GLN A 32 -0.995 17.204 -7.422 1.00 0.00 O flip ATOM 342 NE2 GLN A 32 -1.481 17.028 -5.237 1.00 0.00 N flip ATOM 0 H GLN A 32 -4.455 13.357 -7.430 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.098 15.394 -5.314 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.170 15.592 -7.945 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.729 16.389 -8.020 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.425 18.181 -7.443 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.862 17.623 -5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.169 17.016 -4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.490 16.914 -5.024 1.00 0.00 H new ATOM 351 N GLY A 33 -6.524 15.832 -5.215 1.00 0.00 N ATOM 352 CA GLY A 33 -7.965 15.972 -5.078 1.00 0.00 C ATOM 353 C GLY A 33 -8.708 14.697 -5.421 1.00 0.00 C ATOM 354 O GLY A 33 -8.169 13.599 -5.285 1.00 0.00 O ATOM 0 H GLY A 33 -5.981 16.246 -4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.203 16.263 -4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.312 16.776 -5.727 1.00 0.00 H new ATOM 358 N ALA A 34 -9.942 14.843 -5.879 1.00 0.00 N ATOM 359 CA ALA A 34 -10.751 13.693 -6.257 1.00 0.00 C ATOM 360 C ALA A 34 -10.548 13.355 -7.733 1.00 0.00 C ATOM 361 O ALA A 34 -10.103 14.197 -8.514 1.00 0.00 O ATOM 362 CB ALA A 34 -12.221 13.961 -5.972 1.00 0.00 C ATOM 0 H ALA A 34 -10.405 15.744 -5.998 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.432 12.838 -5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.812 13.092 -6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.356 14.155 -4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.550 14.829 -6.543 1.00 0.00 H new ATOM 368 N GLY A 35 -10.878 12.125 -8.112 1.00 0.00 N ATOM 369 CA GLY A 35 -10.728 11.704 -9.495 1.00 0.00 C ATOM 370 C GLY A 35 -9.451 10.918 -9.738 1.00 0.00 C ATOM 371 O GLY A 35 -9.368 10.136 -10.686 1.00 0.00 O ATOM 0 H GLY A 35 -11.248 11.410 -7.486 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.585 11.092 -9.778 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.736 12.583 -10.140 1.00 0.00 H new ATOM 375 N SER A 36 -8.452 11.134 -8.888 1.00 0.00 N ATOM 376 CA SER A 36 -7.170 10.453 -9.016 1.00 0.00 C ATOM 377 C SER A 36 -7.289 8.981 -8.644 1.00 0.00 C ATOM 378 O SER A 36 -8.174 8.593 -7.881 1.00 0.00 O ATOM 379 CB SER A 36 -6.131 11.133 -8.125 1.00 0.00 C ATOM 380 OG SER A 36 -6.670 12.284 -7.499 1.00 0.00 O ATOM 0 H SER A 36 -8.507 11.779 -8.100 1.00 0.00 H new ATOM 0 HA SER A 36 -6.854 10.515 -10.057 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.783 10.432 -7.366 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.263 11.413 -8.722 1.00 0.00 H new ATOM 0 HG SER A 36 -6.157 12.486 -6.688 1.00 0.00 H new ATOM 386 N ALA A 37 -6.387 8.164 -9.178 1.00 0.00 N ATOM 387 CA ALA A 37 -6.397 6.740 -8.888 1.00 0.00 C ATOM 388 C ALA A 37 -5.076 6.073 -9.241 1.00 0.00 C ATOM 389 O ALA A 37 -4.721 5.947 -10.413 1.00 0.00 O ATOM 390 CB ALA A 37 -7.543 6.058 -9.618 1.00 0.00 C ATOM 0 H ALA A 37 -5.645 8.464 -9.810 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.540 6.631 -7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.536 4.992 -9.390 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.489 6.492 -9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.426 6.200 -10.692 1.00 0.00 H new ATOM 396 N VAL A 38 -4.376 5.601 -8.215 1.00 0.00 N ATOM 397 CA VAL A 38 -3.120 4.890 -8.408 1.00 0.00 C ATOM 398 C VAL A 38 -3.393 3.405 -8.225 1.00 0.00 C ATOM 399 O VAL A 38 -3.284 2.879 -7.120 1.00 0.00 O ATOM 400 CB VAL A 38 -2.002 5.322 -7.410 1.00 0.00 C ATOM 401 CG1 VAL A 38 -0.719 5.649 -8.148 1.00 0.00 C ATOM 402 CG2 VAL A 38 -2.405 6.510 -6.542 1.00 0.00 C ATOM 0 H VAL A 38 -4.659 5.699 -7.240 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.756 5.126 -9.408 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.842 4.471 -6.748 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.047 5.948 -7.432 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.380 4.770 -8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.900 6.465 -8.848 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.586 6.763 -5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.629 7.366 -7.178 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.288 6.251 -5.958 1.00 0.00 H new ATOM 412 N ILE A 39 -3.775 2.738 -9.305 1.00 0.00 N ATOM 413 CA ILE A 39 -4.099 1.321 -9.237 1.00 0.00 C ATOM 414 C ILE A 39 -2.884 0.444 -9.486 1.00 0.00 C ATOM 415 O ILE A 39 -2.278 0.479 -10.557 1.00 0.00 O ATOM 416 CB ILE A 39 -5.207 0.945 -10.240 1.00 0.00 C ATOM 417 CG1 ILE A 39 -6.365 1.938 -10.150 1.00 0.00 C ATOM 418 CG2 ILE A 39 -5.697 -0.472 -9.982 1.00 0.00 C ATOM 419 CD1 ILE A 39 -6.977 2.028 -8.769 1.00 0.00 C ATOM 0 H ILE A 39 -3.868 3.152 -10.233 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.456 1.142 -8.223 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.793 0.988 -11.248 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.011 2.925 -10.447 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.137 1.649 -10.863 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.479 -0.723 -10.698 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.867 -1.170 -10.092 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.096 -0.540 -8.970 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.792 2.751 -8.779 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.362 1.051 -8.477 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.218 2.347 -8.055 1.00 0.00 H new ATOM 431 N TRP A 40 -2.547 -0.353 -8.482 1.00 0.00 N ATOM 432 CA TRP A 40 -1.415 -1.262 -8.557 1.00 0.00 C ATOM 433 C TRP A 40 -1.830 -2.590 -9.186 1.00 0.00 C ATOM 434 O TRP A 40 -2.951 -3.058 -8.986 1.00 0.00 O ATOM 435 CB TRP A 40 -0.864 -1.502 -7.152 1.00 0.00 C ATOM 436 CG TRP A 40 0.451 -0.837 -6.889 1.00 0.00 C ATOM 437 CD1 TRP A 40 1.678 -1.271 -7.292 1.00 0.00 C ATOM 438 CD2 TRP A 40 0.676 0.370 -6.147 1.00 0.00 C ATOM 439 NE1 TRP A 40 2.651 -0.417 -6.842 1.00 0.00 N ATOM 440 CE2 TRP A 40 2.061 0.600 -6.135 1.00 0.00 C ATOM 441 CE3 TRP A 40 -0.159 1.276 -5.491 1.00 0.00 C ATOM 442 CZ2 TRP A 40 2.628 1.698 -5.486 1.00 0.00 C ATOM 443 CZ3 TRP A 40 0.402 2.362 -4.849 1.00 0.00 C ATOM 444 CH2 TRP A 40 1.784 2.566 -4.850 1.00 0.00 C ATOM 0 H TRP A 40 -3.050 -0.387 -7.595 1.00 0.00 H new ATOM 0 HA TRP A 40 -0.643 -0.813 -9.182 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.591 -1.146 -6.422 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.754 -2.575 -6.995 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.858 -2.159 -7.880 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.652 -0.521 -7.006 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.229 1.130 -5.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.696 1.857 -5.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.238 3.065 -4.338 1.00 0.00 H new ATOM 0 HH2 TRP A 40 2.193 3.425 -4.339 1.00 0.00 H new ATOM 455 N ASN A 41 -0.919 -3.199 -9.940 1.00 0.00 N ATOM 456 CA ASN A 41 -1.193 -4.478 -10.588 1.00 0.00 C ATOM 457 C ASN A 41 -0.189 -5.532 -10.133 1.00 0.00 C ATOM 458 O ASN A 41 0.998 -5.447 -10.450 1.00 0.00 O ATOM 459 CB ASN A 41 -1.139 -4.325 -12.110 1.00 0.00 C ATOM 460 CG ASN A 41 -2.029 -3.206 -12.611 1.00 0.00 C ATOM 461 OD1 ASN A 41 -3.002 -2.830 -11.958 1.00 0.00 O ATOM 462 ND2 ASN A 41 -1.699 -2.666 -13.779 1.00 0.00 N ATOM 0 H ASN A 41 0.014 -2.828 -10.117 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.194 -4.802 -10.302 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.111 -4.132 -12.417 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.441 -5.262 -12.577 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.261 -1.909 -14.168 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.884 -3.009 -14.287 1.00 0.00 H new ATOM 469 N VAL A 42 -0.668 -6.520 -9.382 1.00 0.00 N ATOM 470 CA VAL A 42 0.194 -7.582 -8.875 1.00 0.00 C ATOM 471 C VAL A 42 -0.533 -8.922 -8.826 1.00 0.00 C ATOM 472 O VAL A 42 -1.690 -9.030 -9.232 1.00 0.00 O ATOM 473 CB VAL A 42 0.705 -7.250 -7.461 1.00 0.00 C ATOM 474 CG1 VAL A 42 1.631 -6.043 -7.493 1.00 0.00 C ATOM 475 CG2 VAL A 42 -0.466 -7.014 -6.517 1.00 0.00 C ATOM 0 H VAL A 42 -1.648 -6.607 -9.112 1.00 0.00 H new ATOM 0 HA VAL A 42 1.035 -7.656 -9.564 1.00 0.00 H new ATOM 0 HB VAL A 42 1.277 -8.101 -7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.981 -5.826 -6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.486 -6.257 -8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.091 -5.180 -7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.089 -6.780 -5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.066 -6.181 -6.883 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.082 -7.912 -6.470 1.00 0.00 H new ATOM 485 N ASP A 43 0.158 -9.940 -8.318 1.00 0.00 N ATOM 486 CA ASP A 43 -0.412 -11.277 -8.200 1.00 0.00 C ATOM 487 C ASP A 43 -0.062 -11.893 -6.848 1.00 0.00 C ATOM 488 O ASP A 43 1.110 -12.005 -6.489 1.00 0.00 O ATOM 489 CB ASP A 43 0.099 -12.174 -9.330 1.00 0.00 C ATOM 490 CG ASP A 43 -0.093 -11.550 -10.697 1.00 0.00 C ATOM 491 OD1 ASP A 43 -1.248 -11.227 -11.046 1.00 0.00 O ATOM 492 OD2 ASP A 43 0.913 -11.383 -11.419 1.00 0.00 O ATOM 0 H ASP A 43 1.117 -9.862 -7.981 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.496 -11.194 -8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.158 -12.382 -9.174 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.422 -13.131 -9.294 1.00 0.00 H new ATOM 497 N VAL A 44 -1.088 -12.287 -6.100 1.00 0.00 N ATOM 498 CA VAL A 44 -0.894 -12.887 -4.783 1.00 0.00 C ATOM 499 C VAL A 44 0.066 -14.076 -4.851 1.00 0.00 C ATOM 500 O VAL A 44 -0.158 -15.020 -5.609 1.00 0.00 O ATOM 501 CB VAL A 44 -2.235 -13.350 -4.182 1.00 0.00 C ATOM 502 CG1 VAL A 44 -2.043 -13.892 -2.774 1.00 0.00 C ATOM 503 CG2 VAL A 44 -3.235 -12.207 -4.184 1.00 0.00 C ATOM 0 H VAL A 44 -2.064 -12.202 -6.383 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.461 -12.119 -4.142 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.627 -14.157 -4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.005 -14.212 -2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.361 -14.741 -2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.626 -13.112 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.178 -12.548 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.845 -11.381 -3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.401 -11.871 -5.207 1.00 0.00 H new ATOM 513 N PRO A 45 1.155 -14.046 -4.059 1.00 0.00 N ATOM 514 CA PRO A 45 2.149 -15.125 -4.042 1.00 0.00 C ATOM 515 C PRO A 45 1.584 -16.440 -3.511 1.00 0.00 C ATOM 516 O PRO A 45 1.778 -17.495 -4.117 1.00 0.00 O ATOM 517 CB PRO A 45 3.244 -14.600 -3.109 1.00 0.00 C ATOM 518 CG PRO A 45 2.574 -13.571 -2.267 1.00 0.00 C ATOM 519 CD PRO A 45 1.508 -12.958 -3.128 1.00 0.00 C ATOM 0 HA PRO A 45 2.502 -15.355 -5.047 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.659 -15.401 -2.497 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.071 -14.170 -3.674 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.142 -14.020 -1.373 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.286 -12.817 -1.933 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.649 -12.639 -2.538 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.875 -12.079 -3.658 1.00 0.00 H new ATOM 527 N VAL A 46 0.888 -16.378 -2.379 1.00 0.00 N ATOM 528 CA VAL A 46 0.309 -17.580 -1.782 1.00 0.00 C ATOM 529 C VAL A 46 -0.988 -17.272 -1.040 1.00 0.00 C ATOM 530 O VAL A 46 -1.480 -16.145 -1.064 1.00 0.00 O ATOM 531 CB VAL A 46 1.283 -18.291 -0.810 1.00 0.00 C ATOM 532 CG1 VAL A 46 1.783 -19.589 -1.420 1.00 0.00 C ATOM 533 CG2 VAL A 46 2.453 -17.392 -0.420 1.00 0.00 C ATOM 0 H VAL A 46 0.712 -15.518 -1.860 1.00 0.00 H new ATOM 0 HA VAL A 46 0.102 -18.249 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 46 0.732 -18.519 0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.467 -20.078 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.937 -20.247 -1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.305 -19.375 -2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.112 -17.928 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.009 -17.109 -1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.075 -16.495 0.071 1.00 0.00 H new ATOM 543 N THR A 47 -1.535 -18.293 -0.388 1.00 0.00 N ATOM 544 CA THR A 47 -2.779 -18.153 0.358 1.00 0.00 C ATOM 545 C THR A 47 -2.513 -17.852 1.831 1.00 0.00 C ATOM 546 O THR A 47 -2.235 -18.754 2.621 1.00 0.00 O ATOM 547 CB THR A 47 -3.616 -19.429 0.228 1.00 0.00 C ATOM 548 OG1 THR A 47 -3.027 -20.327 -0.696 1.00 0.00 O ATOM 549 CG2 THR A 47 -5.033 -19.168 -0.230 1.00 0.00 C ATOM 0 H THR A 47 -1.133 -19.230 -0.362 1.00 0.00 H new ATOM 0 HA THR A 47 -3.331 -17.313 -0.064 1.00 0.00 H new ATOM 0 HB THR A 47 -3.645 -19.857 1.230 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.577 -21.136 -0.762 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.572 -20.113 -0.302 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.534 -18.518 0.488 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.016 -18.685 -1.207 1.00 0.00 H new ATOM 557 N GLY A 48 -2.609 -16.577 2.190 1.00 0.00 N ATOM 558 CA GLY A 48 -2.387 -16.167 3.565 1.00 0.00 C ATOM 559 C GLY A 48 -2.862 -14.751 3.814 1.00 0.00 C ATOM 560 O GLY A 48 -3.383 -14.102 2.908 1.00 0.00 O ATOM 0 H GLY A 48 -2.838 -15.816 1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.909 -16.849 4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.325 -16.240 3.799 1.00 0.00 H new ATOM 564 N GLU A 49 -2.684 -14.260 5.035 1.00 0.00 N ATOM 565 CA GLU A 49 -3.106 -12.903 5.363 1.00 0.00 C ATOM 566 C GLU A 49 -1.976 -11.915 5.120 1.00 0.00 C ATOM 567 O GLU A 49 -0.923 -11.989 5.753 1.00 0.00 O ATOM 568 CB GLU A 49 -3.579 -12.808 6.815 1.00 0.00 C ATOM 569 CG GLU A 49 -4.042 -11.412 7.209 1.00 0.00 C ATOM 570 CD GLU A 49 -4.761 -11.392 8.544 1.00 0.00 C ATOM 571 OE1 GLU A 49 -4.575 -12.343 9.332 1.00 0.00 O ATOM 572 OE2 GLU A 49 -5.508 -10.425 8.801 1.00 0.00 O ATOM 0 H GLU A 49 -2.256 -14.773 5.806 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.942 -12.650 4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.397 -13.511 6.970 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.767 -13.113 7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.180 -10.747 7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.705 -11.022 6.437 1.00 0.00 H new ATOM 579 N TYR A 50 -2.204 -10.988 4.198 1.00 0.00 N ATOM 580 CA TYR A 50 -1.211 -9.980 3.872 1.00 0.00 C ATOM 581 C TYR A 50 -1.683 -8.616 4.346 1.00 0.00 C ATOM 582 O TYR A 50 -2.696 -8.098 3.873 1.00 0.00 O ATOM 583 CB TYR A 50 -0.950 -9.954 2.363 1.00 0.00 C ATOM 584 CG TYR A 50 -0.434 -11.263 1.803 1.00 0.00 C ATOM 585 CD1 TYR A 50 -1.116 -12.455 2.020 1.00 0.00 C ATOM 586 CD2 TYR A 50 0.733 -11.304 1.051 1.00 0.00 C ATOM 587 CE1 TYR A 50 -0.650 -13.647 1.505 1.00 0.00 C ATOM 588 CE2 TYR A 50 1.206 -12.495 0.534 1.00 0.00 C ATOM 589 CZ TYR A 50 0.510 -13.663 0.764 1.00 0.00 C ATOM 590 OH TYR A 50 0.978 -14.849 0.255 1.00 0.00 O ATOM 0 H TYR A 50 -3.070 -10.916 3.664 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.279 -10.229 4.379 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.875 -9.691 1.850 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.228 -9.167 2.143 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.026 -12.448 2.602 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.279 -10.391 0.867 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.193 -14.564 1.682 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.116 -12.511 -0.047 1.00 0.00 H new ATOM 0 HH TYR A 50 0.491 -15.595 0.663 1.00 0.00 H new ATOM 600 N ARG A 51 -0.957 -8.039 5.288 1.00 0.00 N ATOM 601 CA ARG A 51 -1.321 -6.739 5.824 1.00 0.00 C ATOM 602 C ARG A 51 -0.877 -5.628 4.879 1.00 0.00 C ATOM 603 O ARG A 51 0.271 -5.588 4.443 1.00 0.00 O ATOM 604 CB ARG A 51 -0.718 -6.555 7.217 1.00 0.00 C ATOM 605 CG ARG A 51 0.766 -6.872 7.290 1.00 0.00 C ATOM 606 CD ARG A 51 1.383 -6.364 8.585 1.00 0.00 C ATOM 607 NE ARG A 51 2.041 -5.072 8.408 1.00 0.00 N ATOM 608 CZ ARG A 51 3.022 -4.624 9.189 1.00 0.00 C ATOM 609 NH1 ARG A 51 3.453 -5.352 10.213 1.00 0.00 N ATOM 610 NH2 ARG A 51 3.574 -3.442 8.948 1.00 0.00 N ATOM 0 H ARG A 51 -0.116 -8.448 5.696 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.406 -6.686 5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.876 -5.525 7.538 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.251 -7.194 7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.913 -7.949 7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.278 -6.420 6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.607 -6.275 9.345 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.107 -7.092 8.952 1.00 0.00 H new ATOM 0 HE ARG A 51 1.730 -4.477 7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.032 -6.261 10.406 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.205 -5.002 10.807 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.247 -2.877 8.165 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.325 -3.099 9.546 1.00 0.00 H new ATOM 624 N ILE A 52 -1.811 -4.745 4.552 1.00 0.00 N ATOM 625 CA ILE A 52 -1.553 -3.638 3.641 1.00 0.00 C ATOM 626 C ILE A 52 -0.815 -2.496 4.332 1.00 0.00 C ATOM 627 O ILE A 52 -1.179 -2.075 5.428 1.00 0.00 O ATOM 628 CB ILE A 52 -2.874 -3.103 3.039 1.00 0.00 C ATOM 629 CG1 ILE A 52 -3.622 -4.225 2.312 1.00 0.00 C ATOM 630 CG2 ILE A 52 -2.605 -1.943 2.092 1.00 0.00 C ATOM 631 CD1 ILE A 52 -2.726 -5.112 1.480 1.00 0.00 C ATOM 0 H ILE A 52 -2.766 -4.776 4.909 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.920 -4.025 2.843 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.499 -2.739 3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.144 -4.838 3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.382 -3.784 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.548 -1.583 1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.114 -1.136 2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.960 -2.278 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.325 -5.883 0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.224 -4.512 0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.981 -5.582 2.122 1.00 0.00 H new ATOM 643 N ASN A 53 0.223 -1.997 3.670 1.00 0.00 N ATOM 644 CA ASN A 53 1.019 -0.898 4.199 1.00 0.00 C ATOM 645 C ASN A 53 1.241 0.157 3.121 1.00 0.00 C ATOM 646 O ASN A 53 1.980 -0.072 2.163 1.00 0.00 O ATOM 647 CB ASN A 53 2.366 -1.415 4.714 1.00 0.00 C ATOM 648 CG ASN A 53 2.418 -1.496 6.228 1.00 0.00 C ATOM 649 OD1 ASN A 53 1.416 -2.133 6.823 1.00 0.00 O flip ATOM 650 ND2 ASN A 53 3.351 -0.994 6.855 1.00 0.00 N flip ATOM 0 H ASN A 53 0.533 -2.339 2.761 1.00 0.00 H new ATOM 0 HA ASN A 53 0.478 -0.445 5.030 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.557 -2.403 4.294 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.162 -0.759 4.361 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.100 -0.514 6.357 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.375 -1.059 7.873 1.00 0.00 H new ATOM 657 N LEU A 54 0.595 1.311 3.269 1.00 0.00 N ATOM 658 CA LEU A 54 0.736 2.379 2.288 1.00 0.00 C ATOM 659 C LEU A 54 1.718 3.440 2.758 1.00 0.00 C ATOM 660 O LEU A 54 1.557 4.032 3.825 1.00 0.00 O ATOM 661 CB LEU A 54 -0.626 3.020 1.964 1.00 0.00 C ATOM 662 CG LEU A 54 -1.345 2.464 0.721 1.00 0.00 C ATOM 663 CD1 LEU A 54 -2.192 3.532 0.054 1.00 0.00 C ATOM 664 CD2 LEU A 54 -0.348 1.915 -0.286 1.00 0.00 C ATOM 0 H LEU A 54 -0.024 1.528 4.050 1.00 0.00 H new ATOM 0 HA LEU A 54 1.132 1.929 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.281 2.895 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.480 4.092 1.828 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.994 1.656 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.687 3.110 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.942 3.893 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.555 4.361 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.883 1.529 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.327 2.711 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.227 1.111 0.173 1.00 0.00 H new ATOM 676 N THR A 55 2.735 3.677 1.938 1.00 0.00 N ATOM 677 CA THR A 55 3.754 4.672 2.244 1.00 0.00 C ATOM 678 C THR A 55 3.422 5.994 1.563 1.00 0.00 C ATOM 679 O THR A 55 3.347 6.068 0.336 1.00 0.00 O ATOM 680 CB THR A 55 5.131 4.182 1.792 1.00 0.00 C ATOM 681 OG1 THR A 55 5.153 2.769 1.691 1.00 0.00 O ATOM 682 CG2 THR A 55 6.248 4.593 2.725 1.00 0.00 C ATOM 0 H THR A 55 2.876 3.191 1.052 1.00 0.00 H new ATOM 0 HA THR A 55 3.774 4.826 3.323 1.00 0.00 H new ATOM 0 HB THR A 55 5.299 4.649 0.822 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.430 2.510 0.787 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.197 4.213 2.346 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.290 5.681 2.785 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.063 4.182 3.717 1.00 0.00 H new ATOM 690 N TRP A 56 3.210 7.032 2.363 1.00 0.00 N ATOM 691 CA TRP A 56 2.870 8.343 1.826 1.00 0.00 C ATOM 692 C TRP A 56 3.585 9.459 2.585 1.00 0.00 C ATOM 693 O TRP A 56 4.145 9.239 3.658 1.00 0.00 O ATOM 694 CB TRP A 56 1.357 8.552 1.887 1.00 0.00 C ATOM 695 CG TRP A 56 0.784 8.320 3.251 1.00 0.00 C ATOM 696 CD1 TRP A 56 0.804 7.155 3.967 1.00 0.00 C ATOM 697 CD2 TRP A 56 0.104 9.279 4.066 1.00 0.00 C ATOM 698 NE1 TRP A 56 0.181 7.339 5.180 1.00 0.00 N ATOM 699 CE2 TRP A 56 -0.256 8.632 5.262 1.00 0.00 C ATOM 700 CE3 TRP A 56 -0.234 10.624 3.900 1.00 0.00 C ATOM 701 CZ2 TRP A 56 -0.935 9.282 6.285 1.00 0.00 C ATOM 702 CZ3 TRP A 56 -0.909 11.268 4.917 1.00 0.00 C ATOM 703 CH2 TRP A 56 -1.252 10.595 6.096 1.00 0.00 C ATOM 0 H TRP A 56 3.267 6.992 3.381 1.00 0.00 H new ATOM 0 HA TRP A 56 3.201 8.380 0.788 1.00 0.00 H new ATOM 0 HB2 TRP A 56 1.124 9.569 1.570 1.00 0.00 H new ATOM 0 HB3 TRP A 56 0.875 7.879 1.178 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.244 6.228 3.630 1.00 0.00 H new ATOM 0 HE1 TRP A 56 0.064 6.627 5.901 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.028 11.150 2.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -1.202 8.767 7.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.177 12.308 4.802 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.780 11.128 6.873 1.00 0.00 H new ATOM 714 N SER A 57 3.556 10.659 2.012 1.00 0.00 N ATOM 715 CA SER A 57 4.194 11.825 2.615 1.00 0.00 C ATOM 716 C SER A 57 3.484 13.099 2.175 1.00 0.00 C ATOM 717 O SER A 57 4.003 13.865 1.363 1.00 0.00 O ATOM 718 CB SER A 57 5.671 11.883 2.219 1.00 0.00 C ATOM 719 OG SER A 57 5.881 11.309 0.941 1.00 0.00 O ATOM 0 H SER A 57 3.093 10.850 1.123 1.00 0.00 H new ATOM 0 HA SER A 57 4.124 11.740 3.699 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.009 12.919 2.215 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.270 11.355 2.961 1.00 0.00 H new ATOM 0 HG SER A 57 6.832 11.360 0.712 1.00 0.00 H new ATOM 725 N SER A 58 2.288 13.314 2.712 1.00 0.00 N ATOM 726 CA SER A 58 1.494 14.488 2.372 1.00 0.00 C ATOM 727 C SER A 58 1.325 15.403 3.580 1.00 0.00 C ATOM 728 O SER A 58 0.414 15.219 4.388 1.00 0.00 O ATOM 729 CB SER A 58 0.127 14.063 1.851 1.00 0.00 C ATOM 730 OG SER A 58 -0.596 15.174 1.354 1.00 0.00 O ATOM 0 H SER A 58 1.847 12.689 3.386 1.00 0.00 H new ATOM 0 HA SER A 58 2.022 15.039 1.594 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.250 13.322 1.061 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.438 13.585 2.651 1.00 0.00 H new ATOM 0 HG SER A 58 -1.432 14.865 0.947 1.00 0.00 H new ATOM 736 N PRO A 59 2.204 16.406 3.719 1.00 0.00 N ATOM 737 CA PRO A 59 2.160 17.355 4.831 1.00 0.00 C ATOM 738 C PRO A 59 1.049 18.388 4.654 1.00 0.00 C ATOM 739 O PRO A 59 1.276 19.467 4.108 1.00 0.00 O ATOM 740 CB PRO A 59 3.539 18.040 4.788 1.00 0.00 C ATOM 741 CG PRO A 59 4.320 17.332 3.723 1.00 0.00 C ATOM 742 CD PRO A 59 3.313 16.697 2.809 1.00 0.00 C ATOM 0 HA PRO A 59 1.952 16.860 5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.440 19.101 4.559 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.041 17.967 5.753 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.954 18.031 3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.977 16.580 4.159 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.013 17.369 2.005 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.702 15.793 2.341 1.00 0.00 H new ATOM 750 N TYR A 60 -0.154 18.050 5.109 1.00 0.00 N ATOM 751 CA TYR A 60 -1.293 18.955 4.986 1.00 0.00 C ATOM 752 C TYR A 60 -1.966 19.194 6.338 1.00 0.00 C ATOM 753 O TYR A 60 -1.701 20.197 7.002 1.00 0.00 O ATOM 754 CB TYR A 60 -2.304 18.398 3.978 1.00 0.00 C ATOM 755 CG TYR A 60 -3.580 19.206 3.879 1.00 0.00 C ATOM 756 CD1 TYR A 60 -3.552 20.595 3.922 1.00 0.00 C ATOM 757 CD2 TYR A 60 -4.812 18.579 3.745 1.00 0.00 C ATOM 758 CE1 TYR A 60 -4.716 21.335 3.835 1.00 0.00 C ATOM 759 CE2 TYR A 60 -5.980 19.312 3.656 1.00 0.00 C ATOM 760 CZ TYR A 60 -5.928 20.689 3.701 1.00 0.00 C ATOM 761 OH TYR A 60 -7.088 21.422 3.613 1.00 0.00 O ATOM 0 H TYR A 60 -0.365 17.162 5.564 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.922 19.914 4.626 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.836 18.355 2.995 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.554 17.375 4.257 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.605 21.104 4.025 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.858 17.501 3.710 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.677 22.414 3.872 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.930 18.808 3.552 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.852 20.815 3.521 1.00 0.00 H new ATOM 771 N SER A 61 -2.841 18.275 6.739 1.00 0.00 N ATOM 772 CA SER A 61 -3.553 18.400 8.008 1.00 0.00 C ATOM 773 C SER A 61 -4.516 17.232 8.218 1.00 0.00 C ATOM 774 O SER A 61 -4.746 16.804 9.348 1.00 0.00 O ATOM 775 CB SER A 61 -4.324 19.721 8.057 1.00 0.00 C ATOM 776 OG SER A 61 -4.792 20.086 6.770 1.00 0.00 O ATOM 0 H SER A 61 -3.074 17.438 6.205 1.00 0.00 H new ATOM 0 HA SER A 61 -2.813 18.385 8.808 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.167 19.628 8.741 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.680 20.508 8.450 1.00 0.00 H new ATOM 0 HG SER A 61 -4.136 20.671 6.337 1.00 0.00 H new ATOM 782 N SER A 62 -5.071 16.726 7.116 1.00 0.00 N ATOM 783 CA SER A 62 -6.014 15.607 7.148 1.00 0.00 C ATOM 784 C SER A 62 -6.875 15.599 5.886 1.00 0.00 C ATOM 785 O SER A 62 -7.451 16.621 5.510 1.00 0.00 O ATOM 786 CB SER A 62 -6.914 15.681 8.386 1.00 0.00 C ATOM 787 OG SER A 62 -8.098 14.923 8.207 1.00 0.00 O ATOM 0 H SER A 62 -4.880 17.079 6.178 1.00 0.00 H new ATOM 0 HA SER A 62 -5.435 14.684 7.194 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.371 15.311 9.256 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.172 16.720 8.589 1.00 0.00 H new ATOM 0 HG SER A 62 -8.652 14.987 9.013 1.00 0.00 H new ATOM 793 N LYS A 63 -6.960 14.443 5.237 1.00 0.00 N ATOM 794 CA LYS A 63 -7.750 14.303 4.017 1.00 0.00 C ATOM 795 C LYS A 63 -8.686 13.102 4.116 1.00 0.00 C ATOM 796 O LYS A 63 -8.588 12.309 5.052 1.00 0.00 O ATOM 797 CB LYS A 63 -6.829 14.149 2.807 1.00 0.00 C ATOM 798 CG LYS A 63 -5.690 15.157 2.774 1.00 0.00 C ATOM 799 CD LYS A 63 -4.372 14.495 2.401 1.00 0.00 C ATOM 800 CE LYS A 63 -3.202 15.139 3.127 1.00 0.00 C ATOM 801 NZ LYS A 63 -3.409 15.170 4.601 1.00 0.00 N ATOM 0 H LYS A 63 -6.491 13.588 5.535 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.352 15.203 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.412 13.142 2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.420 14.251 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.920 15.944 2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.596 15.634 3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.414 13.434 2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.219 14.568 1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.288 14.590 2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.062 16.155 2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.522 14.918 5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.700 16.125 4.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.150 14.488 4.862 1.00 0.00 H new ATOM 815 N VAL A 64 -9.593 12.967 3.148 1.00 0.00 N ATOM 816 CA VAL A 64 -10.536 11.853 3.144 1.00 0.00 C ATOM 817 C VAL A 64 -10.457 11.081 1.833 1.00 0.00 C ATOM 818 O VAL A 64 -11.240 11.320 0.921 1.00 0.00 O ATOM 819 CB VAL A 64 -11.983 12.344 3.353 1.00 0.00 C ATOM 820 CG1 VAL A 64 -12.937 11.165 3.481 1.00 0.00 C ATOM 821 CG2 VAL A 64 -12.071 13.243 4.577 1.00 0.00 C ATOM 0 H VAL A 64 -9.693 13.611 2.363 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.261 11.196 3.969 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.277 12.926 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.952 11.533 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.897 10.564 2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.646 10.553 4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -13.099 13.579 4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.756 12.687 5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.421 14.107 4.441 1.00 0.00 H new ATOM 831 N ASN A 65 -9.504 10.159 1.741 1.00 0.00 N ATOM 832 CA ASN A 65 -9.331 9.369 0.523 1.00 0.00 C ATOM 833 C ASN A 65 -9.850 7.948 0.700 1.00 0.00 C ATOM 834 O ASN A 65 -10.144 7.515 1.813 1.00 0.00 O ATOM 835 CB ASN A 65 -7.855 9.319 0.101 1.00 0.00 C ATOM 836 CG ASN A 65 -7.007 10.390 0.758 1.00 0.00 C ATOM 837 OD1 ASN A 65 -7.486 11.626 0.729 1.00 0.00 O flip ATOM 838 ND2 ASN A 65 -5.931 10.108 1.286 1.00 0.00 N flip ATOM 0 H ASN A 65 -8.844 9.940 2.487 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.912 9.861 -0.257 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.447 8.339 0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.790 9.427 -0.982 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.600 9.143 1.286 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.371 10.839 1.724 1.00 0.00 H new ATOM 845 N THR A 66 -9.943 7.227 -0.412 1.00 0.00 N ATOM 846 CA THR A 66 -10.404 5.847 -0.396 1.00 0.00 C ATOM 847 C THR A 66 -9.297 4.926 -0.893 1.00 0.00 C ATOM 848 O THR A 66 -8.941 4.943 -2.072 1.00 0.00 O ATOM 849 CB THR A 66 -11.654 5.692 -1.267 1.00 0.00 C ATOM 850 OG1 THR A 66 -12.705 6.507 -0.784 1.00 0.00 O ATOM 851 CG2 THR A 66 -12.169 4.269 -1.330 1.00 0.00 C ATOM 0 H THR A 66 -9.704 7.579 -1.339 1.00 0.00 H new ATOM 0 HA THR A 66 -10.661 5.573 0.627 1.00 0.00 H new ATOM 0 HB THR A 66 -11.347 5.994 -2.268 1.00 0.00 H new ATOM 0 HG1 THR A 66 -13.494 6.395 -1.354 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.055 4.231 -1.963 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.398 3.621 -1.746 1.00 0.00 H new ATOM 0 HG23 THR A 66 -12.425 3.930 -0.326 1.00 0.00 H new ATOM 859 N LEU A 67 -8.751 4.129 0.015 1.00 0.00 N ATOM 860 CA LEU A 67 -7.676 3.205 -0.320 1.00 0.00 C ATOM 861 C LEU A 67 -8.232 1.955 -1.004 1.00 0.00 C ATOM 862 O LEU A 67 -9.128 1.293 -0.481 1.00 0.00 O ATOM 863 CB LEU A 67 -6.895 2.853 0.948 1.00 0.00 C ATOM 864 CG LEU A 67 -5.968 1.641 0.852 1.00 0.00 C ATOM 865 CD1 LEU A 67 -5.041 1.766 -0.336 1.00 0.00 C ATOM 866 CD2 LEU A 67 -5.156 1.487 2.129 1.00 0.00 C ATOM 0 H LEU A 67 -9.036 4.104 0.994 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.994 3.681 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.299 3.719 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.609 2.676 1.753 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.587 0.754 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.391 0.892 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.629 1.831 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.433 2.665 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.502 0.619 2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.553 2.381 2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.830 1.350 2.975 1.00 0.00 H new ATOM 878 N VAL A 68 -7.703 1.655 -2.186 1.00 0.00 N ATOM 879 CA VAL A 68 -8.144 0.503 -2.968 1.00 0.00 C ATOM 880 C VAL A 68 -7.173 -0.663 -2.826 1.00 0.00 C ATOM 881 O VAL A 68 -6.151 -0.712 -3.508 1.00 0.00 O ATOM 882 CB VAL A 68 -8.269 0.867 -4.465 1.00 0.00 C ATOM 883 CG1 VAL A 68 -9.318 0.006 -5.149 1.00 0.00 C ATOM 884 CG2 VAL A 68 -8.595 2.344 -4.641 1.00 0.00 C ATOM 0 H VAL A 68 -6.961 2.199 -2.627 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.120 0.208 -2.582 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.306 0.671 -4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.386 0.282 -6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.037 -1.044 -5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.285 0.161 -4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.678 2.574 -5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.540 2.570 -4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.801 2.947 -4.200 1.00 0.00 H new ATOM 894 N MET A 69 -7.488 -1.601 -1.939 1.00 0.00 N ATOM 895 CA MET A 69 -6.623 -2.757 -1.722 1.00 0.00 C ATOM 896 C MET A 69 -7.421 -4.058 -1.711 1.00 0.00 C ATOM 897 O MET A 69 -8.444 -4.167 -1.035 1.00 0.00 O ATOM 898 CB MET A 69 -5.855 -2.600 -0.410 1.00 0.00 C ATOM 899 CG MET A 69 -5.018 -1.332 -0.349 1.00 0.00 C ATOM 900 SD MET A 69 -3.339 -1.583 -0.960 1.00 0.00 S ATOM 901 CE MET A 69 -2.455 -0.224 -0.196 1.00 0.00 C ATOM 0 H MET A 69 -8.329 -1.585 -1.362 1.00 0.00 H new ATOM 0 HA MET A 69 -5.916 -2.806 -2.550 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.563 -2.600 0.419 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.204 -3.463 -0.273 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.502 -0.552 -0.937 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.977 -0.976 0.681 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.456 -0.554 0.090 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.376 0.602 -0.903 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.995 0.108 0.691 1.00 0.00 H new ATOM 911 N ASP A 70 -6.941 -5.043 -2.467 1.00 0.00 N ATOM 912 CA ASP A 70 -7.601 -6.341 -2.549 1.00 0.00 C ATOM 913 C ASP A 70 -9.009 -6.198 -3.114 1.00 0.00 C ATOM 914 O ASP A 70 -9.941 -6.864 -2.662 1.00 0.00 O ATOM 915 CB ASP A 70 -7.654 -6.999 -1.169 1.00 0.00 C ATOM 916 CG ASP A 70 -8.206 -8.410 -1.222 1.00 0.00 C ATOM 917 OD1 ASP A 70 -7.567 -9.274 -1.859 1.00 0.00 O ATOM 918 OD2 ASP A 70 -9.277 -8.652 -0.628 1.00 0.00 O ATOM 0 H ASP A 70 -6.095 -4.965 -3.032 1.00 0.00 H new ATOM 0 HA ASP A 70 -7.022 -6.974 -3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.652 -7.020 -0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.272 -6.395 -0.505 1.00 0.00 H new ATOM 923 N GLY A 71 -9.159 -5.321 -4.100 1.00 0.00 N ATOM 924 CA GLY A 71 -10.459 -5.106 -4.705 1.00 0.00 C ATOM 925 C GLY A 71 -11.457 -4.514 -3.728 1.00 0.00 C ATOM 926 O GLY A 71 -12.662 -4.533 -3.976 1.00 0.00 O ATOM 0 H GLY A 71 -8.405 -4.756 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.353 -4.440 -5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.842 -6.054 -5.084 1.00 0.00 H new ATOM 930 N THR A 72 -10.954 -3.987 -2.615 1.00 0.00 N ATOM 931 CA THR A 72 -11.809 -3.390 -1.598 1.00 0.00 C ATOM 932 C THR A 72 -11.688 -1.875 -1.605 1.00 0.00 C ATOM 933 O THR A 72 -10.641 -1.323 -1.941 1.00 0.00 O ATOM 934 CB THR A 72 -11.446 -3.927 -0.213 1.00 0.00 C ATOM 935 OG1 THR A 72 -11.342 -5.339 -0.232 1.00 0.00 O ATOM 936 CG2 THR A 72 -12.449 -3.552 0.856 1.00 0.00 C ATOM 0 H THR A 72 -9.958 -3.962 -2.396 1.00 0.00 H new ATOM 0 HA THR A 72 -12.840 -3.659 -1.829 1.00 0.00 H new ATOM 0 HB THR A 72 -10.489 -3.466 0.033 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.430 -5.597 -0.482 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.131 -3.964 1.814 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.512 -2.466 0.931 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.427 -3.955 0.594 1.00 0.00 H new ATOM 944 N ALA A 73 -12.767 -1.209 -1.219 1.00 0.00 N ATOM 945 CA ALA A 73 -12.790 0.243 -1.166 1.00 0.00 C ATOM 946 C ALA A 73 -12.820 0.719 0.281 1.00 0.00 C ATOM 947 O ALA A 73 -13.857 1.156 0.780 1.00 0.00 O ATOM 948 CB ALA A 73 -13.989 0.777 -1.934 1.00 0.00 C ATOM 0 H ALA A 73 -13.640 -1.654 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.883 0.627 -1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.996 1.866 -1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.926 0.459 -2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.907 0.389 -1.491 1.00 0.00 H new ATOM 954 N LEU A 74 -11.678 0.621 0.954 1.00 0.00 N ATOM 955 CA LEU A 74 -11.583 1.030 2.345 1.00 0.00 C ATOM 956 C LEU A 74 -11.455 2.544 2.460 1.00 0.00 C ATOM 957 O LEU A 74 -10.405 3.118 2.175 1.00 0.00 O ATOM 958 CB LEU A 74 -10.401 0.340 3.035 1.00 0.00 C ATOM 959 CG LEU A 74 -9.011 0.840 2.621 1.00 0.00 C ATOM 960 CD1 LEU A 74 -8.408 1.703 3.717 1.00 0.00 C ATOM 961 CD2 LEU A 74 -8.083 -0.325 2.300 1.00 0.00 C ATOM 0 H LEU A 74 -10.809 0.263 0.557 1.00 0.00 H new ATOM 0 HA LEU A 74 -12.501 0.725 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.507 0.467 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.458 -0.729 2.832 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.126 1.443 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.422 2.049 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.053 2.562 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.316 1.117 4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.105 0.058 2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.977 -0.959 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.502 -0.909 1.480 1.00 0.00 H new ATOM 973 N SER A 75 -12.538 3.183 2.879 1.00 0.00 N ATOM 974 CA SER A 75 -12.561 4.629 3.036 1.00 0.00 C ATOM 975 C SER A 75 -11.959 5.032 4.376 1.00 0.00 C ATOM 976 O SER A 75 -12.272 4.441 5.409 1.00 0.00 O ATOM 977 CB SER A 75 -13.993 5.143 2.929 1.00 0.00 C ATOM 978 OG SER A 75 -14.095 6.478 3.395 1.00 0.00 O ATOM 0 H SER A 75 -13.415 2.720 3.117 1.00 0.00 H new ATOM 0 HA SER A 75 -11.963 5.074 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.324 5.091 1.892 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.657 4.501 3.508 1.00 0.00 H new ATOM 0 HG SER A 75 -15.023 6.783 3.314 1.00 0.00 H new ATOM 984 N TYR A 76 -11.095 6.039 4.355 1.00 0.00 N ATOM 985 CA TYR A 76 -10.455 6.509 5.576 1.00 0.00 C ATOM 986 C TYR A 76 -9.902 7.925 5.417 1.00 0.00 C ATOM 987 O TYR A 76 -9.540 8.350 4.317 1.00 0.00 O ATOM 988 CB TYR A 76 -9.347 5.542 6.014 1.00 0.00 C ATOM 989 CG TYR A 76 -8.186 5.400 5.043 1.00 0.00 C ATOM 990 CD1 TYR A 76 -8.225 5.947 3.764 1.00 0.00 C ATOM 991 CD2 TYR A 76 -7.041 4.709 5.420 1.00 0.00 C ATOM 992 CE1 TYR A 76 -7.160 5.807 2.894 1.00 0.00 C ATOM 993 CE2 TYR A 76 -5.973 4.566 4.555 1.00 0.00 C ATOM 994 CZ TYR A 76 -6.038 5.117 3.295 1.00 0.00 C ATOM 995 OH TYR A 76 -4.975 4.977 2.432 1.00 0.00 O ATOM 0 H TYR A 76 -10.823 6.543 3.511 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.218 6.540 6.354 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.956 5.875 6.975 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.788 4.558 6.173 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.102 6.490 3.446 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.985 4.276 6.408 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.208 6.237 1.904 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.092 4.025 4.866 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.445 5.802 2.429 1.00 0.00 H new ATOM 1005 N ALA A 77 -9.851 8.652 6.527 1.00 0.00 N ATOM 1006 CA ALA A 77 -9.352 10.019 6.522 1.00 0.00 C ATOM 1007 C ALA A 77 -7.843 10.052 6.729 1.00 0.00 C ATOM 1008 O ALA A 77 -7.358 9.897 7.849 1.00 0.00 O ATOM 1009 CB ALA A 77 -10.052 10.841 7.595 1.00 0.00 C ATOM 0 H ALA A 77 -10.150 8.316 7.442 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.569 10.455 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.669 11.861 7.580 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.125 10.853 7.402 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.865 10.398 8.573 1.00 0.00 H new ATOM 1015 N PHE A 78 -7.105 10.252 5.642 1.00 0.00 N ATOM 1016 CA PHE A 78 -5.650 10.301 5.711 1.00 0.00 C ATOM 1017 C PHE A 78 -5.189 11.414 6.647 1.00 0.00 C ATOM 1018 O PHE A 78 -5.828 12.460 6.754 1.00 0.00 O ATOM 1019 CB PHE A 78 -5.052 10.494 4.312 1.00 0.00 C ATOM 1020 CG PHE A 78 -4.199 9.341 3.848 1.00 0.00 C ATOM 1021 CD1 PHE A 78 -4.480 8.040 4.246 1.00 0.00 C ATOM 1022 CD2 PHE A 78 -3.117 9.559 3.011 1.00 0.00 C ATOM 1023 CE1 PHE A 78 -3.696 6.985 3.820 1.00 0.00 C ATOM 1024 CE2 PHE A 78 -2.331 8.505 2.581 1.00 0.00 C ATOM 1025 CZ PHE A 78 -2.621 7.217 2.987 1.00 0.00 C ATOM 0 H PHE A 78 -7.489 10.382 4.706 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.296 9.351 6.111 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.862 10.644 3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.451 11.403 4.307 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.321 7.851 4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.884 10.564 2.690 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.925 5.979 4.139 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.491 8.689 1.928 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.008 6.393 2.653 1.00 0.00 H new ATOM 1035 N ALA A 79 -4.081 11.167 7.335 1.00 0.00 N ATOM 1036 CA ALA A 79 -3.524 12.126 8.281 1.00 0.00 C ATOM 1037 C ALA A 79 -2.667 13.178 7.583 1.00 0.00 C ATOM 1038 O ALA A 79 -2.515 13.163 6.362 1.00 0.00 O ATOM 1039 CB ALA A 79 -2.694 11.389 9.321 1.00 0.00 C ATOM 0 H ALA A 79 -3.546 10.302 7.254 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.353 12.644 8.764 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.277 12.106 10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.326 10.678 9.854 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.883 10.854 8.827 1.00 0.00 H new ATOM 1045 N GLU A 80 -2.097 14.079 8.375 1.00 0.00 N ATOM 1046 CA GLU A 80 -1.234 15.132 7.855 1.00 0.00 C ATOM 1047 C GLU A 80 0.218 14.657 7.798 1.00 0.00 C ATOM 1048 O GLU A 80 1.144 15.414 8.092 1.00 0.00 O ATOM 1049 CB GLU A 80 -1.349 16.383 8.734 1.00 0.00 C ATOM 1050 CG GLU A 80 -0.525 16.323 10.013 1.00 0.00 C ATOM 1051 CD GLU A 80 -1.294 16.810 11.226 1.00 0.00 C ATOM 1052 OE1 GLU A 80 -2.505 16.519 11.318 1.00 0.00 O ATOM 1053 OE2 GLU A 80 -0.684 17.483 12.085 1.00 0.00 O ATOM 0 H GLU A 80 -2.219 14.100 9.387 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.554 15.378 6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.037 17.251 8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.396 16.535 8.996 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.198 15.297 10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.374 16.928 9.890 1.00 0.00 H new ATOM 1060 N ALA A 81 0.408 13.394 7.429 1.00 0.00 N ATOM 1061 CA ALA A 81 1.740 12.804 7.347 1.00 0.00 C ATOM 1062 C ALA A 81 2.695 13.661 6.523 1.00 0.00 C ATOM 1063 O ALA A 81 2.294 14.641 5.901 1.00 0.00 O ATOM 1064 CB ALA A 81 1.662 11.403 6.761 1.00 0.00 C ATOM 0 H ALA A 81 -0.348 12.756 7.181 1.00 0.00 H new ATOM 0 HA ALA A 81 2.134 12.751 8.362 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.663 10.975 6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.035 10.777 7.396 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.232 11.451 5.760 1.00 0.00 H new ATOM 1070 N THR A 82 3.962 13.271 6.534 1.00 0.00 N ATOM 1071 CA THR A 82 5.003 13.975 5.797 1.00 0.00 C ATOM 1072 C THR A 82 6.206 13.063 5.602 1.00 0.00 C ATOM 1073 O THR A 82 6.719 12.912 4.493 1.00 0.00 O ATOM 1074 CB THR A 82 5.413 15.243 6.543 1.00 0.00 C ATOM 1075 OG1 THR A 82 6.675 15.705 6.095 1.00 0.00 O ATOM 1076 CG2 THR A 82 5.494 15.058 8.045 1.00 0.00 C ATOM 0 H THR A 82 4.297 12.459 7.053 1.00 0.00 H new ATOM 0 HA THR A 82 4.614 14.260 4.819 1.00 0.00 H new ATOM 0 HB THR A 82 4.629 15.969 6.327 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.918 16.519 6.584 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.790 15.997 8.512 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.519 14.754 8.427 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.231 14.289 8.278 1.00 0.00 H new ATOM 1084 N VAL A 83 6.632 12.440 6.693 1.00 0.00 N ATOM 1085 CA VAL A 83 7.754 11.513 6.667 1.00 0.00 C ATOM 1086 C VAL A 83 7.258 10.143 6.219 1.00 0.00 C ATOM 1087 O VAL A 83 6.142 9.761 6.552 1.00 0.00 O ATOM 1088 CB VAL A 83 8.406 11.385 8.064 1.00 0.00 C ATOM 1089 CG1 VAL A 83 9.834 10.880 7.954 1.00 0.00 C ATOM 1090 CG2 VAL A 83 8.366 12.716 8.804 1.00 0.00 C ATOM 0 H VAL A 83 6.212 12.562 7.615 1.00 0.00 H new ATOM 0 HA VAL A 83 8.502 11.895 5.972 1.00 0.00 H new ATOM 0 HB VAL A 83 7.831 10.657 8.636 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.269 10.799 8.950 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.838 9.901 7.476 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.422 11.577 7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.830 12.602 9.784 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.909 13.467 8.231 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.330 13.033 8.928 1.00 0.00 H new ATOM 1100 N PRO A 84 8.058 9.387 5.443 1.00 0.00 N ATOM 1101 CA PRO A 84 7.654 8.063 4.957 1.00 0.00 C ATOM 1102 C PRO A 84 6.935 7.230 6.020 1.00 0.00 C ATOM 1103 O PRO A 84 7.550 6.418 6.710 1.00 0.00 O ATOM 1104 CB PRO A 84 8.987 7.426 4.579 1.00 0.00 C ATOM 1105 CG PRO A 84 9.824 8.573 4.126 1.00 0.00 C ATOM 1106 CD PRO A 84 9.407 9.757 4.964 1.00 0.00 C ATOM 0 HA PRO A 84 6.938 8.126 4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.439 6.914 5.429 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.865 6.685 3.789 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.884 8.357 4.258 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.669 8.773 3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.095 9.924 5.793 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.386 10.676 4.378 1.00 0.00 H new ATOM 1114 N VAL A 85 5.625 7.442 6.140 1.00 0.00 N ATOM 1115 CA VAL A 85 4.812 6.716 7.110 1.00 0.00 C ATOM 1116 C VAL A 85 4.029 5.601 6.425 1.00 0.00 C ATOM 1117 O VAL A 85 3.546 5.769 5.305 1.00 0.00 O ATOM 1118 CB VAL A 85 3.823 7.654 7.837 1.00 0.00 C ATOM 1119 CG1 VAL A 85 3.044 6.895 8.903 1.00 0.00 C ATOM 1120 CG2 VAL A 85 4.553 8.845 8.448 1.00 0.00 C ATOM 0 H VAL A 85 5.105 8.113 5.575 1.00 0.00 H new ATOM 0 HA VAL A 85 5.494 6.289 7.845 1.00 0.00 H new ATOM 0 HB VAL A 85 3.114 8.033 7.101 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.354 7.575 9.402 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.482 6.086 8.436 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.738 6.480 9.635 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.836 9.491 8.954 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.291 8.490 9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.055 9.407 7.660 1.00 0.00 H new ATOM 1130 N THR A 86 3.911 4.460 7.095 1.00 0.00 N ATOM 1131 CA THR A 86 3.192 3.320 6.536 1.00 0.00 C ATOM 1132 C THR A 86 1.861 3.092 7.249 1.00 0.00 C ATOM 1133 O THR A 86 1.810 2.983 8.474 1.00 0.00 O ATOM 1134 CB THR A 86 4.053 2.058 6.623 1.00 0.00 C ATOM 1135 OG1 THR A 86 5.059 2.204 7.609 1.00 0.00 O ATOM 1136 CG2 THR A 86 4.735 1.707 5.318 1.00 0.00 C ATOM 0 H THR A 86 4.302 4.300 8.023 1.00 0.00 H new ATOM 0 HA THR A 86 2.980 3.542 5.490 1.00 0.00 H new ATOM 0 HB THR A 86 3.363 1.255 6.880 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.598 1.386 7.650 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.329 0.803 5.450 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.982 1.538 4.548 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.386 2.527 5.015 1.00 0.00 H new ATOM 1144 N TYR A 87 0.790 3.012 6.466 1.00 0.00 N ATOM 1145 CA TYR A 87 -0.546 2.784 7.007 1.00 0.00 C ATOM 1146 C TYR A 87 -0.863 1.288 7.004 1.00 0.00 C ATOM 1147 O TYR A 87 -1.030 0.683 5.947 1.00 0.00 O ATOM 1148 CB TYR A 87 -1.581 3.567 6.184 1.00 0.00 C ATOM 1149 CG TYR A 87 -2.947 2.921 6.115 1.00 0.00 C ATOM 1150 CD1 TYR A 87 -3.237 1.970 5.145 1.00 0.00 C ATOM 1151 CD2 TYR A 87 -3.946 3.260 7.019 1.00 0.00 C ATOM 1152 CE1 TYR A 87 -4.479 1.375 5.076 1.00 0.00 C ATOM 1153 CE2 TYR A 87 -5.193 2.669 6.959 1.00 0.00 C ATOM 1154 CZ TYR A 87 -5.455 1.728 5.985 1.00 0.00 C ATOM 1155 OH TYR A 87 -6.696 1.137 5.923 1.00 0.00 O ATOM 0 H TYR A 87 0.821 3.102 5.450 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.585 3.138 8.037 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.686 4.565 6.611 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.201 3.692 5.170 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.476 1.691 4.432 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.744 3.998 7.781 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.686 0.637 4.315 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.958 2.942 7.670 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.878 0.668 6.764 1.00 0.00 H new ATOM 1165 N VAL A 88 -0.925 0.692 8.191 1.00 0.00 N ATOM 1166 CA VAL A 88 -1.198 -0.736 8.315 1.00 0.00 C ATOM 1167 C VAL A 88 -2.684 -1.058 8.184 1.00 0.00 C ATOM 1168 O VAL A 88 -3.511 -0.565 8.951 1.00 0.00 O ATOM 1169 CB VAL A 88 -0.691 -1.294 9.660 1.00 0.00 C ATOM 1170 CG1 VAL A 88 -0.833 -2.810 9.703 1.00 0.00 C ATOM 1171 CG2 VAL A 88 0.754 -0.879 9.901 1.00 0.00 C ATOM 0 H VAL A 88 -0.790 1.175 9.079 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.662 -1.211 7.494 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.304 -0.874 10.458 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.469 -3.182 10.661 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.882 -3.081 9.583 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.249 -3.253 8.896 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.094 -1.282 10.855 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.382 -1.266 9.099 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.821 0.209 9.922 1.00 0.00 H new ATOM 1181 N GLN A 89 -3.001 -1.916 7.222 1.00 0.00 N ATOM 1182 CA GLN A 89 -4.370 -2.353 6.988 1.00 0.00 C ATOM 1183 C GLN A 89 -4.359 -3.856 6.751 1.00 0.00 C ATOM 1184 O GLN A 89 -3.803 -4.324 5.765 1.00 0.00 O ATOM 1185 CB GLN A 89 -4.976 -1.613 5.788 1.00 0.00 C ATOM 1186 CG GLN A 89 -6.068 -2.385 5.061 1.00 0.00 C ATOM 1187 CD GLN A 89 -7.208 -2.785 5.977 1.00 0.00 C ATOM 1188 OE1 GLN A 89 -7.521 -2.084 6.940 1.00 0.00 O ATOM 1189 NE2 GLN A 89 -7.836 -3.917 5.680 1.00 0.00 N ATOM 0 H GLN A 89 -2.319 -2.327 6.585 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.988 -2.123 7.856 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.386 -0.663 6.131 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.180 -1.379 5.081 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.458 -1.775 4.246 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.637 -3.280 4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.543 -4.466 4.872 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.612 -4.237 6.260 1.00 0.00 H new ATOM 1198 N THR A 90 -4.946 -4.613 7.664 1.00 0.00 N ATOM 1199 CA THR A 90 -4.947 -6.061 7.533 1.00 0.00 C ATOM 1200 C THR A 90 -5.989 -6.530 6.531 1.00 0.00 C ATOM 1201 O THR A 90 -7.191 -6.337 6.716 1.00 0.00 O ATOM 1202 CB THR A 90 -5.176 -6.720 8.893 1.00 0.00 C ATOM 1203 OG1 THR A 90 -6.193 -6.046 9.617 1.00 0.00 O ATOM 1204 CG2 THR A 90 -3.929 -6.743 9.751 1.00 0.00 C ATOM 0 H THR A 90 -5.422 -4.256 8.493 1.00 0.00 H new ATOM 0 HA THR A 90 -3.969 -6.361 7.157 1.00 0.00 H new ATOM 0 HB THR A 90 -5.472 -7.747 8.677 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.943 -5.846 9.018 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.152 -7.222 10.704 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.145 -7.301 9.239 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.591 -5.722 9.929 1.00 0.00 H new ATOM 1212 N LYS A 91 -5.499 -7.146 5.461 1.00 0.00 N ATOM 1213 CA LYS A 91 -6.349 -7.655 4.397 1.00 0.00 C ATOM 1214 C LYS A 91 -5.889 -9.044 3.974 1.00 0.00 C ATOM 1215 O LYS A 91 -4.811 -9.200 3.398 1.00 0.00 O ATOM 1216 CB LYS A 91 -6.306 -6.707 3.196 1.00 0.00 C ATOM 1217 CG LYS A 91 -7.654 -6.489 2.529 1.00 0.00 C ATOM 1218 CD LYS A 91 -8.329 -7.804 2.174 1.00 0.00 C ATOM 1219 CE LYS A 91 -9.836 -7.645 2.065 1.00 0.00 C ATOM 1220 NZ LYS A 91 -10.488 -7.599 3.403 1.00 0.00 N ATOM 0 H LYS A 91 -4.503 -7.305 5.309 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.372 -7.719 4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.914 -5.743 3.521 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.608 -7.103 2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.300 -5.917 3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.520 -5.894 1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.932 -8.174 1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.095 -8.551 2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.066 -6.731 1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.248 -8.474 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.517 -7.507 3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.276 -8.475 3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.127 -6.783 3.937 1.00 0.00 H new ATOM 1234 N THR A 92 -6.699 -10.052 4.262 1.00 0.00 N ATOM 1235 CA THR A 92 -6.353 -11.414 3.909 1.00 0.00 C ATOM 1236 C THR A 92 -6.289 -11.582 2.393 1.00 0.00 C ATOM 1237 O THR A 92 -7.310 -11.530 1.706 1.00 0.00 O ATOM 1238 CB THR A 92 -7.368 -12.377 4.513 1.00 0.00 C ATOM 1239 OG1 THR A 92 -7.918 -11.841 5.704 1.00 0.00 O ATOM 1240 CG2 THR A 92 -6.778 -13.728 4.849 1.00 0.00 C ATOM 0 H THR A 92 -7.596 -9.950 4.737 1.00 0.00 H new ATOM 0 HA THR A 92 -5.366 -11.640 4.313 1.00 0.00 H new ATOM 0 HB THR A 92 -8.134 -12.511 3.749 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.569 -12.472 6.077 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.551 -14.367 5.275 1.00 0.00 H new ATOM 0 HG22 THR A 92 -6.385 -14.189 3.943 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.972 -13.603 5.572 1.00 0.00 H new ATOM 1248 N LEU A 93 -5.079 -11.784 1.883 1.00 0.00 N ATOM 1249 CA LEU A 93 -4.864 -11.962 0.451 1.00 0.00 C ATOM 1250 C LEU A 93 -4.988 -13.437 0.072 1.00 0.00 C ATOM 1251 O LEU A 93 -4.556 -14.314 0.819 1.00 0.00 O ATOM 1252 CB LEU A 93 -3.476 -11.429 0.064 1.00 0.00 C ATOM 1253 CG LEU A 93 -3.455 -10.074 -0.654 1.00 0.00 C ATOM 1254 CD1 LEU A 93 -2.064 -9.777 -1.188 1.00 0.00 C ATOM 1255 CD2 LEU A 93 -4.475 -10.051 -1.783 1.00 0.00 C ATOM 0 H LEU A 93 -4.228 -11.829 2.443 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.625 -11.402 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.874 -11.348 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.991 -12.165 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.721 -9.300 0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.067 -8.812 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.355 -9.750 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.771 -10.555 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.445 -9.082 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.239 -10.835 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.472 -10.219 -1.376 1.00 0.00 H new ATOM 1267 N SER A 94 -5.578 -13.709 -1.086 1.00 0.00 N ATOM 1268 CA SER A 94 -5.753 -15.077 -1.544 1.00 0.00 C ATOM 1269 C SER A 94 -4.953 -15.343 -2.812 1.00 0.00 C ATOM 1270 O SER A 94 -4.695 -14.434 -3.599 1.00 0.00 O ATOM 1271 CB SER A 94 -7.231 -15.382 -1.793 1.00 0.00 C ATOM 1272 OG SER A 94 -7.988 -15.252 -0.602 1.00 0.00 O ATOM 0 H SER A 94 -5.942 -13.000 -1.722 1.00 0.00 H new ATOM 0 HA SER A 94 -5.382 -15.733 -0.757 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.622 -14.704 -2.552 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.335 -16.394 -2.185 1.00 0.00 H new ATOM 0 HG SER A 94 -8.929 -15.451 -0.789 1.00 0.00 H new ATOM 1278 N ALA A 95 -4.569 -16.600 -3.002 1.00 0.00 N ATOM 1279 CA ALA A 95 -3.802 -16.997 -4.174 1.00 0.00 C ATOM 1280 C ALA A 95 -4.543 -16.652 -5.461 1.00 0.00 C ATOM 1281 O ALA A 95 -5.755 -16.838 -5.560 1.00 0.00 O ATOM 1282 CB ALA A 95 -3.506 -18.487 -4.116 1.00 0.00 C ATOM 0 H ALA A 95 -4.777 -17.362 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.862 -16.444 -4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.932 -18.778 -4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.931 -18.709 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.443 -19.043 -4.094 1.00 0.00 H new ATOM 1288 N GLY A 96 -3.806 -16.149 -6.446 1.00 0.00 N ATOM 1289 CA GLY A 96 -4.410 -15.785 -7.713 1.00 0.00 C ATOM 1290 C GLY A 96 -4.117 -14.352 -8.106 1.00 0.00 C ATOM 1291 O GLY A 96 -3.167 -13.747 -7.610 1.00 0.00 O ATOM 0 H GLY A 96 -2.801 -15.987 -6.389 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.044 -16.454 -8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.489 -15.928 -7.652 1.00 0.00 H new ATOM 1295 N ASN A 97 -4.936 -13.806 -8.998 1.00 0.00 N ATOM 1296 CA ASN A 97 -4.761 -12.432 -9.457 1.00 0.00 C ATOM 1297 C ASN A 97 -5.645 -11.477 -8.662 1.00 0.00 C ATOM 1298 O ASN A 97 -6.872 -11.570 -8.705 1.00 0.00 O ATOM 1299 CB ASN A 97 -5.086 -12.325 -10.948 1.00 0.00 C ATOM 1300 CG ASN A 97 -4.170 -11.357 -11.673 1.00 0.00 C ATOM 1301 OD1 ASN A 97 -3.437 -11.742 -12.583 1.00 0.00 O ATOM 1302 ND2 ASN A 97 -4.209 -10.092 -11.269 1.00 0.00 N ATOM 0 H ASN A 97 -5.728 -14.293 -9.418 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.720 -12.152 -9.299 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.004 -13.311 -11.406 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.120 -12.002 -11.069 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.615 -9.395 -11.718 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.833 -9.818 -10.510 1.00 0.00 H new ATOM 1309 N HIS A 98 -5.015 -10.558 -7.940 1.00 0.00 N ATOM 1310 CA HIS A 98 -5.745 -9.583 -7.137 1.00 0.00 C ATOM 1311 C HIS A 98 -5.449 -8.163 -7.608 1.00 0.00 C ATOM 1312 O HIS A 98 -4.545 -7.943 -8.415 1.00 0.00 O ATOM 1313 CB HIS A 98 -5.384 -9.737 -5.659 1.00 0.00 C ATOM 1314 CG HIS A 98 -6.079 -10.884 -4.996 1.00 0.00 C ATOM 1315 ND1 HIS A 98 -6.733 -10.772 -3.787 1.00 0.00 N ATOM 1316 CD2 HIS A 98 -6.225 -12.174 -5.381 1.00 0.00 C ATOM 1317 CE1 HIS A 98 -7.251 -11.942 -3.457 1.00 0.00 C ATOM 1318 NE2 HIS A 98 -6.957 -12.809 -4.409 1.00 0.00 N ATOM 0 H HIS A 98 -4.000 -10.467 -7.894 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.812 -9.769 -7.260 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -4.306 -9.872 -5.568 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -5.635 -8.816 -5.133 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -6.806 -9.918 -3.233 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -5.837 -12.620 -6.285 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.818 -12.153 -2.562 1.00 0.00 H new ATOM 1327 N SER A 99 -6.220 -7.203 -7.107 1.00 0.00 N ATOM 1328 CA SER A 99 -6.039 -5.807 -7.489 1.00 0.00 C ATOM 1329 C SER A 99 -5.776 -4.922 -6.274 1.00 0.00 C ATOM 1330 O SER A 99 -6.563 -4.892 -5.328 1.00 0.00 O ATOM 1331 CB SER A 99 -7.273 -5.302 -8.239 1.00 0.00 C ATOM 1332 OG SER A 99 -8.359 -5.091 -7.353 1.00 0.00 O ATOM 0 H SER A 99 -6.973 -7.365 -6.438 1.00 0.00 H new ATOM 0 HA SER A 99 -5.168 -5.753 -8.142 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.034 -4.371 -8.754 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.559 -6.025 -9.003 1.00 0.00 H new ATOM 0 HG SER A 99 -8.027 -5.052 -6.432 1.00 0.00 H new ATOM 1338 N PHE A 100 -4.666 -4.194 -6.322 1.00 0.00 N ATOM 1339 CA PHE A 100 -4.283 -3.287 -5.246 1.00 0.00 C ATOM 1340 C PHE A 100 -4.173 -1.868 -5.789 1.00 0.00 C ATOM 1341 O PHE A 100 -4.172 -1.673 -7.005 1.00 0.00 O ATOM 1342 CB PHE A 100 -2.950 -3.723 -4.637 1.00 0.00 C ATOM 1343 CG PHE A 100 -3.088 -4.809 -3.609 1.00 0.00 C ATOM 1344 CD1 PHE A 100 -3.745 -4.566 -2.417 1.00 0.00 C ATOM 1345 CD2 PHE A 100 -2.562 -6.070 -3.835 1.00 0.00 C ATOM 1346 CE1 PHE A 100 -3.879 -5.559 -1.467 1.00 0.00 C ATOM 1347 CE2 PHE A 100 -2.691 -7.069 -2.890 1.00 0.00 C ATOM 1348 CZ PHE A 100 -3.351 -6.813 -1.703 1.00 0.00 C ATOM 0 H PHE A 100 -4.010 -4.215 -7.103 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.045 -3.314 -4.467 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.292 -4.069 -5.434 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.469 -2.859 -4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.159 -3.587 -2.226 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.045 -6.275 -4.761 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.396 -5.355 -0.541 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -2.277 -8.048 -3.078 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.454 -7.592 -0.962 1.00 0.00 H new ATOM 1358 N GLY A 101 -4.080 -0.872 -4.908 1.00 0.00 N ATOM 1359 CA GLY A 101 -3.969 0.490 -5.385 1.00 0.00 C ATOM 1360 C GLY A 101 -4.534 1.530 -4.437 1.00 0.00 C ATOM 1361 O GLY A 101 -4.764 1.268 -3.256 1.00 0.00 O ATOM 0 H GLY A 101 -4.080 -0.983 -3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.918 0.714 -5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.483 0.570 -6.343 1.00 0.00 H new ATOM 1365 N VAL A 102 -4.761 2.715 -4.983 1.00 0.00 N ATOM 1366 CA VAL A 102 -5.308 3.838 -4.232 1.00 0.00 C ATOM 1367 C VAL A 102 -6.124 4.717 -5.171 1.00 0.00 C ATOM 1368 O VAL A 102 -5.886 4.716 -6.377 1.00 0.00 O ATOM 1369 CB VAL A 102 -4.201 4.693 -3.557 1.00 0.00 C ATOM 1370 CG1 VAL A 102 -4.531 4.938 -2.099 1.00 0.00 C ATOM 1371 CG2 VAL A 102 -2.831 4.041 -3.672 1.00 0.00 C ATOM 0 H VAL A 102 -4.571 2.927 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 102 -5.936 3.432 -3.439 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.166 5.646 -4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.744 5.539 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.481 5.468 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.607 3.984 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.086 4.672 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.851 3.065 -3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.573 3.919 -4.724 1.00 0.00 H new ATOM 1381 N ARG A 103 -7.090 5.456 -4.638 1.00 0.00 N ATOM 1382 CA ARG A 103 -7.911 6.310 -5.487 1.00 0.00 C ATOM 1383 C ARG A 103 -8.612 7.409 -4.697 1.00 0.00 C ATOM 1384 O ARG A 103 -8.728 7.342 -3.473 1.00 0.00 O ATOM 1385 CB ARG A 103 -8.922 5.457 -6.273 1.00 0.00 C ATOM 1386 CG ARG A 103 -10.370 5.588 -5.814 1.00 0.00 C ATOM 1387 CD ARG A 103 -11.077 6.743 -6.510 1.00 0.00 C ATOM 1388 NE ARG A 103 -12.338 6.325 -7.120 1.00 0.00 N ATOM 1389 CZ ARG A 103 -12.422 5.527 -8.182 1.00 0.00 C ATOM 1390 NH1 ARG A 103 -11.322 5.059 -8.759 1.00 0.00 N ATOM 1391 NH2 ARG A 103 -13.610 5.196 -8.670 1.00 0.00 N ATOM 0 H ARG A 103 -7.321 5.482 -3.645 1.00 0.00 H new ATOM 0 HA ARG A 103 -7.249 6.812 -6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.864 5.731 -7.326 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.627 4.410 -6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.902 4.659 -6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -10.398 5.741 -4.735 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.269 7.538 -5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -10.424 7.159 -7.277 1.00 0.00 H new ATOM 0 HE ARG A 103 -13.206 6.666 -6.707 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -10.405 5.310 -8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -11.393 4.448 -9.573 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -14.459 5.553 -8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -13.675 4.585 -9.484 1.00 0.00 H new ATOM 1405 N VAL A 104 -9.077 8.421 -5.422 1.00 0.00 N ATOM 1406 CA VAL A 104 -9.772 9.551 -4.820 1.00 0.00 C ATOM 1407 C VAL A 104 -10.966 9.961 -5.677 1.00 0.00 C ATOM 1408 O VAL A 104 -10.898 9.920 -6.904 1.00 0.00 O ATOM 1409 CB VAL A 104 -8.834 10.769 -4.622 1.00 0.00 C ATOM 1410 CG1 VAL A 104 -8.781 11.144 -3.163 1.00 0.00 C ATOM 1411 CG2 VAL A 104 -7.433 10.483 -5.161 1.00 0.00 C ATOM 0 H VAL A 104 -8.983 8.480 -6.436 1.00 0.00 H new ATOM 0 HA VAL A 104 -10.119 9.228 -3.839 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.236 11.609 -5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.120 12.001 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.782 11.401 -2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.403 10.301 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.799 11.356 -5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.008 9.629 -4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.492 10.260 -6.226 1.00 0.00 H new ATOM 1421 N GLY A 105 -12.063 10.342 -5.027 1.00 0.00 N ATOM 1422 CA GLY A 105 -13.253 10.740 -5.760 1.00 0.00 C ATOM 1423 C GLY A 105 -14.138 11.687 -4.974 1.00 0.00 C ATOM 1424 O GLY A 105 -13.886 11.954 -3.799 1.00 0.00 O ATOM 0 H GLY A 105 -12.149 10.382 -4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -12.956 11.218 -6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -13.825 9.851 -6.025 1.00 0.00 H new ATOM 1428 N SER A 106 -15.182 12.194 -5.625 1.00 0.00 N ATOM 1429 CA SER A 106 -16.113 13.117 -4.984 1.00 0.00 C ATOM 1430 C SER A 106 -16.669 12.524 -3.692 1.00 0.00 C ATOM 1431 O SER A 106 -17.084 13.253 -2.792 1.00 0.00 O ATOM 1432 CB SER A 106 -17.260 13.460 -5.935 1.00 0.00 C ATOM 1433 OG SER A 106 -16.844 14.380 -6.929 1.00 0.00 O ATOM 0 H SER A 106 -15.404 11.980 -6.597 1.00 0.00 H new ATOM 0 HA SER A 106 -15.568 14.028 -4.738 1.00 0.00 H new ATOM 0 HB2 SER A 106 -17.627 12.550 -6.409 1.00 0.00 H new ATOM 0 HB3 SER A 106 -18.091 13.882 -5.370 1.00 0.00 H new ATOM 0 HG SER A 106 -17.596 14.581 -7.524 1.00 0.00 H new ATOM 1439 N SER A 107 -16.673 11.196 -3.609 1.00 0.00 N ATOM 1440 CA SER A 107 -17.175 10.506 -2.426 1.00 0.00 C ATOM 1441 C SER A 107 -16.101 10.405 -1.342 1.00 0.00 C ATOM 1442 O SER A 107 -16.312 9.770 -0.308 1.00 0.00 O ATOM 1443 CB SER A 107 -17.664 9.107 -2.801 1.00 0.00 C ATOM 1444 OG SER A 107 -18.728 8.695 -1.960 1.00 0.00 O ATOM 0 H SER A 107 -16.335 10.578 -4.346 1.00 0.00 H new ATOM 0 HA SER A 107 -18.007 11.088 -2.028 1.00 0.00 H new ATOM 0 HB2 SER A 107 -17.994 9.100 -3.840 1.00 0.00 H new ATOM 0 HB3 SER A 107 -16.840 8.398 -2.724 1.00 0.00 H new ATOM 0 HG SER A 107 -19.023 7.798 -2.222 1.00 0.00 H new ATOM 1450 N ASP A 108 -14.951 11.031 -1.580 1.00 0.00 N ATOM 1451 CA ASP A 108 -13.857 11.006 -0.621 1.00 0.00 C ATOM 1452 C ASP A 108 -12.983 12.249 -0.764 1.00 0.00 C ATOM 1453 O ASP A 108 -12.991 13.120 0.102 1.00 0.00 O ATOM 1454 CB ASP A 108 -13.008 9.738 -0.790 1.00 0.00 C ATOM 1455 CG ASP A 108 -13.136 9.112 -2.167 1.00 0.00 C ATOM 1456 OD1 ASP A 108 -14.269 8.760 -2.559 1.00 0.00 O ATOM 1457 OD2 ASP A 108 -12.101 8.970 -2.851 1.00 0.00 O ATOM 0 H ASP A 108 -14.756 11.561 -2.429 1.00 0.00 H new ATOM 0 HA ASP A 108 -14.290 10.999 0.379 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -11.962 9.982 -0.604 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.304 9.008 -0.037 1.00 0.00 H new ATOM 1462 N TRP A 109 -12.238 12.325 -1.864 1.00 0.00 N ATOM 1463 CA TRP A 109 -11.360 13.464 -2.132 1.00 0.00 C ATOM 1464 C TRP A 109 -10.069 13.381 -1.317 1.00 0.00 C ATOM 1465 O TRP A 109 -10.097 13.115 -0.117 1.00 0.00 O ATOM 1466 CB TRP A 109 -12.105 14.780 -1.855 1.00 0.00 C ATOM 1467 CG TRP A 109 -11.689 15.488 -0.604 1.00 0.00 C ATOM 1468 CD1 TRP A 109 -12.445 15.696 0.512 1.00 0.00 C ATOM 1469 CD2 TRP A 109 -10.421 16.093 -0.350 1.00 0.00 C ATOM 1470 NE1 TRP A 109 -11.723 16.393 1.448 1.00 0.00 N ATOM 1471 CE2 TRP A 109 -10.476 16.650 0.943 1.00 0.00 C ATOM 1472 CE3 TRP A 109 -9.244 16.214 -1.091 1.00 0.00 C ATOM 1473 CZ2 TRP A 109 -9.396 17.321 1.508 1.00 0.00 C ATOM 1474 CZ3 TRP A 109 -8.173 16.881 -0.526 1.00 0.00 C ATOM 1475 CH2 TRP A 109 -8.255 17.427 0.761 1.00 0.00 C ATOM 0 H TRP A 109 -12.224 11.607 -2.589 1.00 0.00 H new ATOM 0 HA TRP A 109 -11.078 13.437 -3.184 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -11.955 15.450 -2.701 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -13.173 14.571 -1.799 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -13.464 15.361 0.640 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -12.060 16.674 2.369 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -9.172 15.796 -2.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -9.456 17.743 2.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -7.256 16.983 -1.088 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -7.400 17.942 1.172 1.00 0.00 H new ATOM 1486 N GLY A 110 -8.936 13.613 -1.977 1.00 0.00 N ATOM 1487 CA GLY A 110 -7.659 13.555 -1.290 1.00 0.00 C ATOM 1488 C GLY A 110 -6.637 14.546 -1.817 1.00 0.00 C ATOM 1489 O GLY A 110 -6.957 15.439 -2.593 1.00 0.00 O ATOM 0 H GLY A 110 -8.881 13.839 -2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.819 13.742 -0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.254 12.547 -1.379 1.00 0.00 H new ATOM 1493 N TYR A 111 -5.401 14.369 -1.371 1.00 0.00 N ATOM 1494 CA TYR A 111 -4.279 15.224 -1.753 1.00 0.00 C ATOM 1495 C TYR A 111 -3.029 14.701 -1.056 1.00 0.00 C ATOM 1496 O TYR A 111 -2.605 15.250 -0.039 1.00 0.00 O ATOM 1497 CB TYR A 111 -4.546 16.677 -1.328 1.00 0.00 C ATOM 1498 CG TYR A 111 -4.611 17.668 -2.474 1.00 0.00 C ATOM 1499 CD1 TYR A 111 -3.458 18.270 -2.963 1.00 0.00 C ATOM 1500 CD2 TYR A 111 -5.825 18.008 -3.060 1.00 0.00 C ATOM 1501 CE1 TYR A 111 -3.514 19.181 -4.001 1.00 0.00 C ATOM 1502 CE2 TYR A 111 -5.890 18.916 -4.098 1.00 0.00 C ATOM 1503 CZ TYR A 111 -4.732 19.499 -4.566 1.00 0.00 C ATOM 1504 OH TYR A 111 -4.790 20.405 -5.599 1.00 0.00 O ATOM 0 H TYR A 111 -5.144 13.621 -0.727 1.00 0.00 H new ATOM 0 HA TYR A 111 -4.147 15.206 -2.835 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.487 16.714 -0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -3.762 16.990 -0.638 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -2.503 18.022 -2.525 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.735 17.553 -2.696 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -2.609 19.642 -4.368 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -6.842 19.168 -4.541 1.00 0.00 H new ATOM 0 HH TYR A 111 -5.721 20.517 -5.884 1.00 0.00 H new ATOM 1514 N MET A 112 -2.464 13.613 -1.571 1.00 0.00 N ATOM 1515 CA MET A 112 -1.296 13.014 -0.938 1.00 0.00 C ATOM 1516 C MET A 112 -0.375 12.345 -1.949 1.00 0.00 C ATOM 1517 O MET A 112 -0.686 12.263 -3.138 1.00 0.00 O ATOM 1518 CB MET A 112 -1.763 12.007 0.132 1.00 0.00 C ATOM 1519 CG MET A 112 -1.648 10.535 -0.257 1.00 0.00 C ATOM 1520 SD MET A 112 -2.591 10.100 -1.735 1.00 0.00 S ATOM 1521 CE MET A 112 -2.660 8.311 -1.575 1.00 0.00 C ATOM 0 H MET A 112 -2.790 13.135 -2.411 1.00 0.00 H new ATOM 0 HA MET A 112 -0.715 13.807 -0.467 1.00 0.00 H new ATOM 0 HB2 MET A 112 -1.182 12.172 1.039 1.00 0.00 H new ATOM 0 HB3 MET A 112 -2.804 12.220 0.377 1.00 0.00 H new ATOM 0 HG2 MET A 112 -0.598 10.293 -0.422 1.00 0.00 H new ATOM 0 HG3 MET A 112 -1.990 9.920 0.576 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.916 7.869 -2.538 1.00 0.00 H new ATOM 0 HE2 MET A 112 -1.689 7.937 -1.251 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.417 8.040 -0.839 1.00 0.00 H new ATOM 1531 N ASN A 113 0.762 11.864 -1.458 1.00 0.00 N ATOM 1532 CA ASN A 113 1.736 11.194 -2.303 1.00 0.00 C ATOM 1533 C ASN A 113 1.756 9.696 -2.024 1.00 0.00 C ATOM 1534 O ASN A 113 1.828 9.266 -0.873 1.00 0.00 O ATOM 1535 CB ASN A 113 3.129 11.785 -2.080 1.00 0.00 C ATOM 1536 CG ASN A 113 3.150 13.292 -2.243 1.00 0.00 C ATOM 1537 OD1 ASN A 113 2.835 13.816 -3.312 1.00 0.00 O ATOM 1538 ND2 ASN A 113 3.521 13.998 -1.181 1.00 0.00 N ATOM 0 H ASN A 113 1.030 11.927 -0.476 1.00 0.00 H new ATOM 0 HA ASN A 113 1.446 11.349 -3.342 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.475 11.526 -1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.828 11.336 -2.785 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.553 15.016 -1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.774 13.522 -0.315 1.00 0.00 H new ATOM 1545 N VAL A 114 1.705 8.907 -3.089 1.00 0.00 N ATOM 1546 CA VAL A 114 1.729 7.456 -2.972 1.00 0.00 C ATOM 1547 C VAL A 114 3.130 6.931 -3.257 1.00 0.00 C ATOM 1548 O VAL A 114 3.450 6.563 -4.387 1.00 0.00 O ATOM 1549 CB VAL A 114 0.726 6.789 -3.938 1.00 0.00 C ATOM 1550 CG1 VAL A 114 0.696 5.287 -3.725 1.00 0.00 C ATOM 1551 CG2 VAL A 114 -0.667 7.385 -3.769 1.00 0.00 C ATOM 0 H VAL A 114 1.646 9.250 -4.048 1.00 0.00 H new ATOM 0 HA VAL A 114 1.439 7.205 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 114 1.056 6.983 -4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.017 4.836 -4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.688 4.874 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 114 0.395 5.071 -2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.357 6.900 -4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -1.008 7.228 -2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -0.634 8.454 -3.981 1.00 0.00 H new ATOM 1561 N HIS A 115 3.963 6.909 -2.223 1.00 0.00 N ATOM 1562 CA HIS A 115 5.337 6.441 -2.354 1.00 0.00 C ATOM 1563 C HIS A 115 5.379 5.028 -2.920 1.00 0.00 C ATOM 1564 O HIS A 115 6.133 4.742 -3.850 1.00 0.00 O ATOM 1565 CB HIS A 115 6.046 6.486 -0.998 1.00 0.00 C ATOM 1566 CG HIS A 115 7.245 7.384 -0.980 1.00 0.00 C ATOM 1567 ND1 HIS A 115 7.162 8.754 -1.119 1.00 0.00 N ATOM 1568 CD2 HIS A 115 8.562 7.102 -0.836 1.00 0.00 C ATOM 1569 CE1 HIS A 115 8.374 9.274 -1.063 1.00 0.00 C ATOM 1570 NE2 HIS A 115 9.241 8.293 -0.892 1.00 0.00 N ATOM 0 H HIS A 115 3.710 7.211 -1.282 1.00 0.00 H new ATOM 0 HA HIS A 115 5.856 7.104 -3.047 1.00 0.00 H new ATOM 0 HB2 HIS A 115 5.340 6.821 -0.239 1.00 0.00 H new ATOM 0 HB3 HIS A 115 6.354 5.477 -0.724 1.00 0.00 H new ATOM 0 HD2 HIS A 115 8.997 6.122 -0.702 1.00 0.00 H new ATOM 0 HE1 HIS A 115 8.615 10.324 -1.143 1.00 0.00 H new ATOM 0 HE2 HIS A 115 10.252 8.403 -0.814 1.00 0.00 H new ATOM 1579 N SER A 116 4.562 4.148 -2.354 1.00 0.00 N ATOM 1580 CA SER A 116 4.507 2.766 -2.806 1.00 0.00 C ATOM 1581 C SER A 116 3.453 1.976 -2.039 1.00 0.00 C ATOM 1582 O SER A 116 2.947 2.420 -1.008 1.00 0.00 O ATOM 1583 CB SER A 116 5.874 2.098 -2.641 1.00 0.00 C ATOM 1584 OG SER A 116 6.077 1.672 -1.304 1.00 0.00 O ATOM 0 H SER A 116 3.931 4.367 -1.583 1.00 0.00 H new ATOM 0 HA SER A 116 4.233 2.772 -3.861 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.948 1.243 -3.313 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.660 2.797 -2.926 1.00 0.00 H new ATOM 0 HG SER A 116 6.957 1.247 -1.226 1.00 0.00 H new ATOM 1590 N LEU A 117 3.146 0.793 -2.551 1.00 0.00 N ATOM 1591 CA LEU A 117 2.171 -0.096 -1.932 1.00 0.00 C ATOM 1592 C LEU A 117 2.900 -1.318 -1.386 1.00 0.00 C ATOM 1593 O LEU A 117 2.909 -2.380 -2.002 1.00 0.00 O ATOM 1594 CB LEU A 117 1.119 -0.514 -2.967 1.00 0.00 C ATOM 1595 CG LEU A 117 -0.306 -0.724 -2.437 1.00 0.00 C ATOM 1596 CD1 LEU A 117 -1.320 -0.530 -3.556 1.00 0.00 C ATOM 1597 CD2 LEU A 117 -0.437 -2.115 -1.821 1.00 0.00 C ATOM 0 H LEU A 117 3.564 0.422 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 117 1.662 0.416 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.086 0.246 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.450 -1.440 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 117 -0.508 0.016 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.326 -0.682 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.234 0.481 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.127 -1.250 -4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -1.452 -2.254 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.222 -2.870 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.269 -2.216 -0.997 1.00 0.00 H new ATOM 1609 N LYS A 118 3.545 -1.159 -0.244 1.00 0.00 N ATOM 1610 CA LYS A 118 4.305 -2.254 0.331 1.00 0.00 C ATOM 1611 C LYS A 118 3.396 -3.251 1.034 1.00 0.00 C ATOM 1612 O LYS A 118 2.708 -2.917 1.997 1.00 0.00 O ATOM 1613 CB LYS A 118 5.369 -1.711 1.290 1.00 0.00 C ATOM 1614 CG LYS A 118 4.853 -1.383 2.684 1.00 0.00 C ATOM 1615 CD LYS A 118 5.939 -0.754 3.540 1.00 0.00 C ATOM 1616 CE LYS A 118 7.165 -1.650 3.633 1.00 0.00 C ATOM 1617 NZ LYS A 118 8.302 -1.118 2.832 1.00 0.00 N ATOM 0 H LYS A 118 3.558 -0.295 0.297 1.00 0.00 H new ATOM 0 HA LYS A 118 4.804 -2.785 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.171 -2.444 1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.805 -0.811 0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 118 4.005 -0.702 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.490 -2.292 3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 118 6.223 0.210 3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.550 -0.563 4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 118 7.468 -1.744 4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.911 -2.651 3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 9.118 -1.756 2.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 8.022 -1.052 1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 8.561 -0.174 3.182 1.00 0.00 H new ATOM 1631 N LEU A 119 3.412 -4.485 0.537 1.00 0.00 N ATOM 1632 CA LEU A 119 2.606 -5.554 1.107 1.00 0.00 C ATOM 1633 C LEU A 119 3.480 -6.455 1.970 1.00 0.00 C ATOM 1634 O LEU A 119 4.653 -6.690 1.655 1.00 0.00 O ATOM 1635 CB LEU A 119 1.925 -6.369 0.001 1.00 0.00 C ATOM 1636 CG LEU A 119 0.405 -6.178 -0.103 1.00 0.00 C ATOM 1637 CD1 LEU A 119 -0.008 -5.949 -1.549 1.00 0.00 C ATOM 1638 CD2 LEU A 119 -0.332 -7.379 0.480 1.00 0.00 C ATOM 0 H LEU A 119 3.978 -4.767 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 119 1.828 -5.112 1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 119 2.376 -6.103 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.133 -7.426 0.169 1.00 0.00 H new ATOM 0 HG LEU A 119 0.133 -5.296 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.089 -5.816 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.487 -5.056 -1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 119 0.281 -6.810 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.407 -7.222 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -0.053 -8.279 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -0.064 -7.496 1.530 1.00 0.00 H new ATOM 1650 N GLU A 120 2.901 -6.939 3.064 1.00 0.00 N ATOM 1651 CA GLU A 120 3.611 -7.803 3.996 1.00 0.00 C ATOM 1652 C GLU A 120 2.795 -9.062 4.287 1.00 0.00 C ATOM 1653 O GLU A 120 1.607 -9.126 3.973 1.00 0.00 O ATOM 1654 CB GLU A 120 3.889 -7.057 5.307 1.00 0.00 C ATOM 1655 CG GLU A 120 4.069 -5.553 5.152 1.00 0.00 C ATOM 1656 CD GLU A 120 2.766 -4.812 4.927 1.00 0.00 C ATOM 1657 OE1 GLU A 120 2.099 -4.466 5.924 1.00 0.00 O ATOM 1658 OE2 GLU A 120 2.417 -4.567 3.756 1.00 0.00 O ATOM 0 H GLU A 120 1.935 -6.745 3.327 1.00 0.00 H new ATOM 0 HA GLU A 120 4.558 -8.092 3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.066 -7.242 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.787 -7.473 5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.554 -5.158 6.045 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.738 -5.359 4.314 1.00 0.00 H new ATOM 1665 N LEU A 121 3.436 -10.057 4.895 1.00 0.00 N ATOM 1666 CA LEU A 121 2.760 -11.308 5.230 1.00 0.00 C ATOM 1667 C LEU A 121 2.323 -11.317 6.693 1.00 0.00 C ATOM 1668 O LEU A 121 2.192 -12.377 7.304 1.00 0.00 O ATOM 1669 CB LEU A 121 3.682 -12.504 4.961 1.00 0.00 C ATOM 1670 CG LEU A 121 3.053 -13.662 4.176 1.00 0.00 C ATOM 1671 CD1 LEU A 121 1.606 -13.880 4.592 1.00 0.00 C ATOM 1672 CD2 LEU A 121 3.145 -13.406 2.678 1.00 0.00 C ATOM 0 H LEU A 121 4.419 -10.022 5.165 1.00 0.00 H new ATOM 0 HA LEU A 121 1.874 -11.389 4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 121 4.556 -12.150 4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.038 -12.888 5.917 1.00 0.00 H new ATOM 0 HG LEU A 121 3.612 -14.569 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 121 1.184 -14.706 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 121 1.565 -14.116 5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 121 1.031 -12.974 4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 121 2.694 -14.238 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.616 -12.485 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.192 -13.311 2.389 1.00 0.00 H new ATOM 1684 N LEU A 122 2.100 -10.130 7.251 1.00 0.00 N ATOM 1685 CA LEU A 122 1.682 -10.008 8.643 1.00 0.00 C ATOM 1686 C LEU A 122 2.732 -10.609 9.576 1.00 0.00 C ATOM 1687 O LEU A 122 3.862 -10.874 9.164 1.00 0.00 O ATOM 1688 CB LEU A 122 0.330 -10.696 8.856 1.00 0.00 C ATOM 1689 CG LEU A 122 -0.819 -9.767 9.258 1.00 0.00 C ATOM 1690 CD1 LEU A 122 -2.076 -10.572 9.550 1.00 0.00 C ATOM 1691 CD2 LEU A 122 -0.436 -8.923 10.467 1.00 0.00 C ATOM 0 H LEU A 122 2.202 -9.241 6.761 1.00 0.00 H new ATOM 0 HA LEU A 122 1.578 -8.949 8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.054 -11.212 7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.446 -11.458 9.626 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.021 -9.095 8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.883 -9.896 9.834 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -2.366 -11.129 8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -1.881 -11.268 10.366 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.268 -8.271 10.734 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.203 -9.576 11.308 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.437 -8.317 10.226 1.00 0.00 H new ATOM 1703 N GLY A 123 2.354 -10.823 10.832 1.00 0.00 N ATOM 1704 CA GLY A 123 3.277 -11.391 11.797 1.00 0.00 C ATOM 1705 C GLY A 123 2.624 -12.442 12.674 1.00 0.00 C ATOM 1706 O GLY A 123 2.227 -12.157 13.804 1.00 0.00 O ATOM 0 H GLY A 123 1.426 -10.613 11.199 1.00 0.00 H new ATOM 0 HA2 GLY A 123 4.121 -11.835 11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 123 3.677 -10.595 12.425 1.00 0.00 H new TER 1710 GLY A 123