USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1076 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 44 TYR OH : rot -23:sc= 0.113 USER MOD Set 1.2: A 48 MET CE :methyl -156:sc= -20! (180deg=-22.2!) USER MOD Set 1.3: A 119 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 71 THR OG1 : rot 150:sc= -2.72! USER MOD Set 2.2: A 73 HIS : no HD1:sc= -8.59! C(o=-36!,f=-38!) USER MOD Set 2.3: A 75 HIS : no HE2:sc= -24.7! C(o=-36!,f=-47!) USER MOD Set 3.1: A 60 ASN : amide:sc= -5.11! C(o=-18!,f=-22!) USER MOD Set 3.2: A 65 ASN : amide:sc= -12.4! C(o=-18!,f=-20!) USER MOD Set 4.1: A 57 SER OG : rot 12:sc= -2.35! USER MOD Set 4.2: A 59 HIS : no HD1:sc= -14.5! C(o=-17!,f=-26!) USER MOD Set 5.1: A 50 LYS NZ :NH3+ 148:sc= -0.505 (180deg=-1.17) USER MOD Set 5.2: A 83 TYR OH : rot 60:sc= -2.37! USER MOD Set 6.1: A 35 THR OG1 : rot -66:sc= -3.33 USER MOD Set 6.2: A 36 THR OG1 : rot 180:sc= -1.59 USER MOD Set 7.1: A 34 TYR OH : rot 120:sc= -1.34 USER MOD Set 7.2: A 64 HIS :FLIP no HE2:sc= -20.2! C(o=-23!,f=-22!) USER MOD Single : A 1 GLY N :NH3+ 180:sc=-0.00496 (180deg=-0.00496) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -93:sc= 0.12 USER MOD Single : A 16 SER OG : rot 94:sc= 0.638 USER MOD Single : A 19 SER OG : rot -90:sc=-0.00201 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -2.73 F(o=-3.9!,f=-2.7) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0271 USER MOD Single : A 25 ASN :FLIP amide:sc= 0.94 F(o=-0.52,f=0.94) USER MOD Single : A 27 THR OG1 : rot 43:sc= 0.675 USER MOD Single : A 30 CYS SG : rot 29:sc= -7.36! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -118:sc= -2.47! (180deg=-4.96!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 145:sc= -2.99! (180deg=-5.21!) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0102 USER MOD Single : A 52 SER OG : rot 180:sc= -0.417 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 171:sc= -0.224 USER MOD Single : A 62 TYR OH : rot -48:sc= -0.817 USER MOD Single : A 63 ASN : amide:sc=-0.00725 X(o=-0.0073,f=-0.0017) USER MOD Single : A 78 SER OG : rot 180:sc= -0.214 USER MOD Single : A 81 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.18) USER MOD Single : A 82 ASN : amide:sc= -0.476 K(o=-0.48,f=-3.6!) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.454 F(o=-2.8!,f=-0.45) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot 4:sc= 1.03 USER MOD Single : A 89 THR OG1 : rot 9:sc= 1.15 USER MOD Single : A 91 SER OG : rot 11:sc= 0.156 USER MOD Single : A 95 CYS SG : rot -140:sc= -2.72 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.368 K(o=-0.37,f=-2.5!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -125:sc= -6.23! (180deg=-8.04!) USER MOD Single : A 105 TYR OH : rot -27:sc= 0.355 USER MOD Single : A 106 SER OG : rot 129:sc= 0.0386 USER MOD Single : A 109 THR OG1 : rot -26:sc= 1.08 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -151:sc= 0.749 (180deg=-1.22!) USER MOD Single : A 127 HIS : no HD1:sc= -4.76! C(o=-4.8!,f=-6!) USER MOD Single : A 130 ASN : amide:sc= -6.14! C(o=-6.1!,f=-6.3!) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot -66:sc= 0.0534 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 120.841 -13.303 21.787 1.00 0.00 N ATOM 2 CA GLY A 1 121.519 -11.941 21.648 1.00 0.00 C ATOM 3 C GLY A 1 120.941 -10.925 20.724 1.00 0.00 C ATOM 4 O GLY A 1 121.556 -9.919 20.428 1.00 0.00 O ATOM 0 H1 GLY A 1 121.370 -13.886 22.467 1.00 0.00 H new ATOM 0 H2 GLY A 1 119.867 -13.173 22.127 1.00 0.00 H new ATOM 0 H3 GLY A 1 120.824 -13.778 20.862 1.00 0.00 H new ATOM 0 HA2 GLY A 1 121.560 -11.494 22.641 1.00 0.00 H new ATOM 0 HA3 GLY A 1 122.548 -12.119 21.336 1.00 0.00 H new ATOM 10 N SER A 2 119.750 -11.155 20.243 1.00 0.00 N ATOM 11 CA SER A 2 119.120 -10.175 19.313 1.00 0.00 C ATOM 12 C SER A 2 117.925 -9.510 20.003 1.00 0.00 C ATOM 13 O SER A 2 116.985 -10.167 20.404 1.00 0.00 O ATOM 14 CB SER A 2 118.643 -10.899 18.055 1.00 0.00 C ATOM 15 OG SER A 2 119.713 -10.968 17.120 1.00 0.00 O ATOM 0 H SER A 2 119.186 -11.978 20.453 1.00 0.00 H new ATOM 0 HA SER A 2 119.851 -9.414 19.039 1.00 0.00 H new ATOM 0 HB2 SER A 2 118.299 -11.902 18.307 1.00 0.00 H new ATOM 0 HB3 SER A 2 117.795 -10.372 17.617 1.00 0.00 H new ATOM 0 HG SER A 2 119.412 -11.433 16.312 1.00 0.00 H new ATOM 21 N LYS A 3 117.956 -8.214 20.143 1.00 0.00 N ATOM 22 CA LYS A 3 116.823 -7.509 20.807 1.00 0.00 C ATOM 23 C LYS A 3 115.793 -7.092 19.754 1.00 0.00 C ATOM 24 O LYS A 3 115.471 -5.930 19.614 1.00 0.00 O ATOM 25 CB LYS A 3 117.348 -6.264 21.526 1.00 0.00 C ATOM 26 CG LYS A 3 118.748 -6.545 22.075 1.00 0.00 C ATOM 27 CD LYS A 3 119.101 -5.500 23.135 1.00 0.00 C ATOM 28 CE LYS A 3 119.711 -4.272 22.457 1.00 0.00 C ATOM 29 NZ LYS A 3 121.178 -4.476 22.287 1.00 0.00 N ATOM 0 H LYS A 3 118.716 -7.612 19.827 1.00 0.00 H new ATOM 0 HA LYS A 3 116.354 -8.177 21.530 1.00 0.00 H new ATOM 0 HB2 LYS A 3 117.378 -5.419 20.838 1.00 0.00 H new ATOM 0 HB3 LYS A 3 116.675 -5.989 22.339 1.00 0.00 H new ATOM 0 HG2 LYS A 3 118.786 -7.545 22.508 1.00 0.00 H new ATOM 0 HG3 LYS A 3 119.479 -6.520 21.267 1.00 0.00 H new ATOM 0 HD2 LYS A 3 118.208 -5.215 23.692 1.00 0.00 H new ATOM 0 HD3 LYS A 3 119.805 -5.919 23.854 1.00 0.00 H new ATOM 0 HE2 LYS A 3 119.241 -4.108 21.487 1.00 0.00 H new ATOM 0 HE3 LYS A 3 119.524 -3.381 23.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 121.593 -3.641 21.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 121.620 -4.613 23.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 121.346 -5.316 21.698 1.00 0.00 H new ATOM 43 N VAL A 4 115.276 -8.034 19.013 1.00 0.00 N ATOM 44 CA VAL A 4 114.268 -7.697 17.969 1.00 0.00 C ATOM 45 C VAL A 4 113.273 -6.679 18.529 1.00 0.00 C ATOM 46 O VAL A 4 112.372 -7.019 19.269 1.00 0.00 O ATOM 47 CB VAL A 4 113.523 -8.967 17.554 1.00 0.00 C ATOM 48 CG1 VAL A 4 112.392 -8.604 16.589 1.00 0.00 C ATOM 49 CG2 VAL A 4 114.495 -9.924 16.860 1.00 0.00 C ATOM 0 H VAL A 4 115.509 -9.024 19.086 1.00 0.00 H new ATOM 0 HA VAL A 4 114.771 -7.271 17.101 1.00 0.00 H new ATOM 0 HB VAL A 4 113.106 -9.448 18.439 1.00 0.00 H new ATOM 0 HG11 VAL A 4 111.861 -9.509 16.293 1.00 0.00 H new ATOM 0 HG12 VAL A 4 111.699 -7.921 17.081 1.00 0.00 H new ATOM 0 HG13 VAL A 4 112.809 -8.123 15.704 1.00 0.00 H new ATOM 0 HG21 VAL A 4 113.965 -10.829 16.564 1.00 0.00 H new ATOM 0 HG22 VAL A 4 114.911 -9.442 15.976 1.00 0.00 H new ATOM 0 HG23 VAL A 4 115.302 -10.184 17.545 1.00 0.00 H new ATOM 59 N GLU A 5 113.430 -5.430 18.183 1.00 0.00 N ATOM 60 CA GLU A 5 112.495 -4.391 18.699 1.00 0.00 C ATOM 61 C GLU A 5 111.283 -4.284 17.773 1.00 0.00 C ATOM 62 O GLU A 5 111.371 -3.768 16.676 1.00 0.00 O ATOM 63 CB GLU A 5 113.213 -3.043 18.755 1.00 0.00 C ATOM 64 CG GLU A 5 113.365 -2.605 20.213 1.00 0.00 C ATOM 65 CD GLU A 5 114.682 -1.846 20.384 1.00 0.00 C ATOM 66 OE1 GLU A 5 115.721 -2.448 20.173 1.00 0.00 O ATOM 67 OE2 GLU A 5 114.627 -0.675 20.723 1.00 0.00 O ATOM 0 H GLU A 5 114.165 -5.085 17.566 1.00 0.00 H new ATOM 0 HA GLU A 5 112.162 -4.669 19.699 1.00 0.00 H new ATOM 0 HB2 GLU A 5 114.193 -3.121 18.284 1.00 0.00 H new ATOM 0 HB3 GLU A 5 112.649 -2.295 18.197 1.00 0.00 H new ATOM 0 HG2 GLU A 5 112.527 -1.970 20.502 1.00 0.00 H new ATOM 0 HG3 GLU A 5 113.347 -3.475 20.869 1.00 0.00 H new ATOM 74 N ASP A 6 110.149 -4.762 18.206 1.00 0.00 N ATOM 75 CA ASP A 6 108.931 -4.682 17.353 1.00 0.00 C ATOM 76 C ASP A 6 108.822 -3.274 16.754 1.00 0.00 C ATOM 77 O ASP A 6 108.510 -2.332 17.456 1.00 0.00 O ATOM 78 CB ASP A 6 107.694 -4.966 18.207 1.00 0.00 C ATOM 79 CG ASP A 6 106.432 -4.656 17.399 1.00 0.00 C ATOM 80 OD1 ASP A 6 106.248 -5.277 16.366 1.00 0.00 O ATOM 81 OD2 ASP A 6 105.674 -3.802 17.828 1.00 0.00 O ATOM 0 H ASP A 6 110.014 -5.205 19.115 1.00 0.00 H new ATOM 0 HA ASP A 6 108.998 -5.417 16.551 1.00 0.00 H new ATOM 0 HB2 ASP A 6 107.689 -6.009 18.523 1.00 0.00 H new ATOM 0 HB3 ASP A 6 107.717 -4.359 19.112 1.00 0.00 H new ATOM 86 N PRO A 7 109.084 -3.169 15.475 1.00 0.00 N ATOM 87 CA PRO A 7 109.022 -1.882 14.759 1.00 0.00 C ATOM 88 C PRO A 7 107.566 -1.516 14.453 1.00 0.00 C ATOM 89 O PRO A 7 106.934 -2.106 13.600 1.00 0.00 O ATOM 90 CB PRO A 7 109.797 -2.153 13.467 1.00 0.00 C ATOM 91 CG PRO A 7 109.763 -3.683 13.252 1.00 0.00 C ATOM 92 CD PRO A 7 109.462 -4.315 14.623 1.00 0.00 C ATOM 0 HA PRO A 7 109.434 -1.051 15.331 1.00 0.00 H new ATOM 0 HB2 PRO A 7 109.342 -1.632 12.625 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.823 -1.795 13.547 1.00 0.00 H new ATOM 0 HG2 PRO A 7 108.998 -3.955 12.524 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.716 -4.040 12.862 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.655 -5.045 14.557 1.00 0.00 H new ATOM 0 HD3 PRO A 7 110.332 -4.837 15.021 1.00 0.00 H new ATOM 100 N LYS A 8 107.031 -0.547 15.143 1.00 0.00 N ATOM 101 CA LYS A 8 105.618 -0.149 14.890 1.00 0.00 C ATOM 102 C LYS A 8 105.583 0.997 13.877 1.00 0.00 C ATOM 103 O LYS A 8 104.547 1.575 13.617 1.00 0.00 O ATOM 104 CB LYS A 8 104.973 0.307 16.200 1.00 0.00 C ATOM 105 CG LYS A 8 105.680 1.566 16.706 1.00 0.00 C ATOM 106 CD LYS A 8 104.642 2.651 17.000 1.00 0.00 C ATOM 107 CE LYS A 8 104.635 2.960 18.497 1.00 0.00 C ATOM 108 NZ LYS A 8 103.519 2.220 19.151 1.00 0.00 N ATOM 0 H LYS A 8 107.510 -0.015 15.869 1.00 0.00 H new ATOM 0 HA LYS A 8 105.067 -1.001 14.492 1.00 0.00 H new ATOM 0 HB2 LYS A 8 103.913 0.510 16.045 1.00 0.00 H new ATOM 0 HB3 LYS A 8 105.040 -0.485 16.946 1.00 0.00 H new ATOM 0 HG2 LYS A 8 106.249 1.339 17.607 1.00 0.00 H new ATOM 0 HG3 LYS A 8 106.391 1.921 15.960 1.00 0.00 H new ATOM 0 HD2 LYS A 8 104.873 3.553 16.433 1.00 0.00 H new ATOM 0 HD3 LYS A 8 103.654 2.319 16.682 1.00 0.00 H new ATOM 0 HE2 LYS A 8 105.587 2.673 18.943 1.00 0.00 H new ATOM 0 HE3 LYS A 8 104.518 4.032 18.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 103.513 2.430 20.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 102.614 2.515 18.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 103.650 1.198 19.009 1.00 0.00 H new ATOM 122 N ASP A 9 106.707 1.332 13.303 1.00 0.00 N ATOM 123 CA ASP A 9 106.731 2.442 12.309 1.00 0.00 C ATOM 124 C ASP A 9 108.107 2.507 11.644 1.00 0.00 C ATOM 125 O ASP A 9 108.996 1.739 11.956 1.00 0.00 O ATOM 126 CB ASP A 9 106.444 3.766 13.019 1.00 0.00 C ATOM 127 CG ASP A 9 107.563 4.063 14.018 1.00 0.00 C ATOM 128 OD1 ASP A 9 107.484 3.569 15.130 1.00 0.00 O ATOM 129 OD2 ASP A 9 108.482 4.779 13.653 1.00 0.00 O ATOM 0 H ASP A 9 107.607 0.886 13.479 1.00 0.00 H new ATOM 0 HA ASP A 9 105.971 2.264 11.548 1.00 0.00 H new ATOM 0 HB2 ASP A 9 106.369 4.573 12.290 1.00 0.00 H new ATOM 0 HB3 ASP A 9 105.486 3.713 13.536 1.00 0.00 H new ATOM 134 N PHE A 10 108.288 3.419 10.728 1.00 0.00 N ATOM 135 CA PHE A 10 109.604 3.535 10.039 1.00 0.00 C ATOM 136 C PHE A 10 110.639 4.122 11.005 1.00 0.00 C ATOM 137 O PHE A 10 110.286 4.684 12.023 1.00 0.00 O ATOM 138 CB PHE A 10 109.463 4.455 8.826 1.00 0.00 C ATOM 139 CG PHE A 10 108.982 3.654 7.639 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.689 3.117 7.635 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.829 3.450 6.544 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.243 2.377 6.534 1.00 0.00 C ATOM 143 CE2 PHE A 10 109.384 2.708 5.443 1.00 0.00 C ATOM 144 CZ PHE A 10 108.090 2.172 5.439 1.00 0.00 C ATOM 0 H PHE A 10 107.580 4.089 10.427 1.00 0.00 H new ATOM 0 HA PHE A 10 109.931 2.548 9.713 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.759 5.258 9.045 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.421 4.923 8.598 1.00 0.00 H new ATOM 0 HD1 PHE A 10 107.036 3.274 8.481 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.826 3.865 6.548 1.00 0.00 H new ATOM 0 HE1 PHE A 10 106.245 1.964 6.529 1.00 0.00 H new ATOM 0 HE2 PHE A 10 110.038 2.549 4.598 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.746 1.600 4.590 1.00 0.00 H new ATOM 154 N PRO A 11 111.890 3.973 10.650 1.00 0.00 N ATOM 155 CA PRO A 11 113.012 4.478 11.460 1.00 0.00 C ATOM 156 C PRO A 11 113.174 5.989 11.265 1.00 0.00 C ATOM 157 O PRO A 11 112.909 6.519 10.205 1.00 0.00 O ATOM 158 CB PRO A 11 114.224 3.722 10.906 1.00 0.00 C ATOM 159 CG PRO A 11 113.841 3.273 9.475 1.00 0.00 C ATOM 160 CD PRO A 11 112.302 3.287 9.407 1.00 0.00 C ATOM 0 HA PRO A 11 112.873 4.324 12.530 1.00 0.00 H new ATOM 0 HB2 PRO A 11 115.106 4.362 10.889 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.465 2.862 11.532 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.268 3.945 8.731 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.229 2.276 9.265 1.00 0.00 H new ATOM 0 HD2 PRO A 11 111.947 3.817 8.523 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.896 2.277 9.357 1.00 0.00 H new ATOM 168 N SER A 12 113.607 6.686 12.280 1.00 0.00 N ATOM 169 CA SER A 12 113.783 8.159 12.150 1.00 0.00 C ATOM 170 C SER A 12 114.749 8.460 11.004 1.00 0.00 C ATOM 171 O SER A 12 114.645 9.471 10.339 1.00 0.00 O ATOM 172 CB SER A 12 114.346 8.724 13.455 1.00 0.00 C ATOM 173 OG SER A 12 114.958 7.675 14.194 1.00 0.00 O ATOM 0 H SER A 12 113.846 6.299 13.193 1.00 0.00 H new ATOM 0 HA SER A 12 112.818 8.622 11.941 1.00 0.00 H new ATOM 0 HB2 SER A 12 115.074 9.507 13.242 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.549 9.181 14.041 1.00 0.00 H new ATOM 0 HG SER A 12 114.308 7.294 14.821 1.00 0.00 H new ATOM 179 N GLU A 13 115.690 7.588 10.767 1.00 0.00 N ATOM 180 CA GLU A 13 116.665 7.824 9.664 1.00 0.00 C ATOM 181 C GLU A 13 115.925 7.853 8.324 1.00 0.00 C ATOM 182 O GLU A 13 116.297 8.566 7.415 1.00 0.00 O ATOM 183 CB GLU A 13 117.700 6.698 9.651 1.00 0.00 C ATOM 184 CG GLU A 13 118.919 7.135 8.834 1.00 0.00 C ATOM 185 CD GLU A 13 119.901 7.880 9.740 1.00 0.00 C ATOM 186 OE1 GLU A 13 119.454 8.462 10.715 1.00 0.00 O ATOM 187 OE2 GLU A 13 121.085 7.856 9.444 1.00 0.00 O ATOM 0 H GLU A 13 115.826 6.722 11.289 1.00 0.00 H new ATOM 0 HA GLU A 13 117.167 8.779 9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 13 118.000 6.454 10.670 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.266 5.795 9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.404 6.265 8.392 1.00 0.00 H new ATOM 0 HG3 GLU A 13 118.607 7.778 8.011 1.00 0.00 H new ATOM 194 N LEU A 14 114.880 7.082 8.195 1.00 0.00 N ATOM 195 CA LEU A 14 114.120 7.066 6.914 1.00 0.00 C ATOM 196 C LEU A 14 112.952 8.051 7.000 1.00 0.00 C ATOM 197 O LEU A 14 112.306 8.350 6.016 1.00 0.00 O ATOM 198 CB LEU A 14 113.582 5.658 6.658 1.00 0.00 C ATOM 199 CG LEU A 14 114.688 4.794 6.051 1.00 0.00 C ATOM 200 CD1 LEU A 14 114.203 3.348 5.939 1.00 0.00 C ATOM 201 CD2 LEU A 14 115.038 5.322 4.658 1.00 0.00 C ATOM 0 H LEU A 14 114.520 6.463 8.921 1.00 0.00 H new ATOM 0 HA LEU A 14 114.780 7.357 6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.231 5.216 7.590 1.00 0.00 H new ATOM 0 HB3 LEU A 14 112.727 5.701 5.983 1.00 0.00 H new ATOM 0 HG LEU A 14 115.571 4.833 6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 14 114.991 2.732 5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 14 113.951 2.971 6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 14 113.320 3.309 5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 14 115.826 4.707 4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.154 5.282 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 14 115.383 6.353 4.736 1.00 0.00 H new ATOM 213 N LEU A 15 112.676 8.558 8.171 1.00 0.00 N ATOM 214 CA LEU A 15 111.549 9.523 8.315 1.00 0.00 C ATOM 215 C LEU A 15 111.962 10.879 7.737 1.00 0.00 C ATOM 216 O LEU A 15 111.180 11.807 7.689 1.00 0.00 O ATOM 217 CB LEU A 15 111.203 9.682 9.798 1.00 0.00 C ATOM 218 CG LEU A 15 110.526 8.408 10.302 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.501 8.412 11.831 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.093 8.347 9.771 1.00 0.00 C ATOM 0 H LEU A 15 113.181 8.346 9.032 1.00 0.00 H new ATOM 0 HA LEU A 15 110.678 9.150 7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.107 9.879 10.374 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.543 10.538 9.939 1.00 0.00 H new ATOM 0 HG LEU A 15 111.083 7.539 9.950 1.00 0.00 H new ATOM 0 HD11 LEU A 15 110.018 7.503 12.189 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.522 8.455 12.211 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.946 9.281 12.184 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.610 7.438 10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.537 9.216 10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.109 8.343 8.681 1.00 0.00 H new ATOM 232 N SER A 16 113.184 11.000 7.296 1.00 0.00 N ATOM 233 CA SER A 16 113.644 12.294 6.720 1.00 0.00 C ATOM 234 C SER A 16 112.929 12.540 5.389 1.00 0.00 C ATOM 235 O SER A 16 112.961 13.627 4.849 1.00 0.00 O ATOM 236 CB SER A 16 115.153 12.240 6.486 1.00 0.00 C ATOM 237 OG SER A 16 115.732 11.294 7.375 1.00 0.00 O ATOM 0 H SER A 16 113.884 10.258 7.310 1.00 0.00 H new ATOM 0 HA SER A 16 113.414 13.104 7.412 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.363 11.962 5.453 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.593 13.224 6.647 1.00 0.00 H new ATOM 0 HG SER A 16 115.799 10.424 6.929 1.00 0.00 H new ATOM 243 N PHE A 17 112.282 11.539 4.859 1.00 0.00 N ATOM 244 CA PHE A 17 111.563 11.720 3.566 1.00 0.00 C ATOM 245 C PHE A 17 110.510 10.622 3.396 1.00 0.00 C ATOM 246 O PHE A 17 110.716 9.656 2.688 1.00 0.00 O ATOM 247 CB PHE A 17 112.556 11.658 2.400 1.00 0.00 C ATOM 248 CG PHE A 17 113.601 10.588 2.641 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.335 9.505 3.491 1.00 0.00 C ATOM 250 CD2 PHE A 17 114.844 10.682 2.002 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.309 8.525 3.700 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.817 9.700 2.210 1.00 0.00 C ATOM 253 CZ PHE A 17 115.551 8.620 3.060 1.00 0.00 C ATOM 0 H PHE A 17 112.220 10.605 5.264 1.00 0.00 H new ATOM 0 HA PHE A 17 111.073 12.694 3.571 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.023 11.450 1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.042 12.626 2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.377 9.428 3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.051 11.515 1.347 1.00 0.00 H new ATOM 0 HE1 PHE A 17 114.103 7.692 4.357 1.00 0.00 H new ATOM 0 HE2 PHE A 17 116.774 9.775 1.715 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.302 7.861 3.222 1.00 0.00 H new ATOM 263 N LEU A 18 109.381 10.763 4.034 1.00 0.00 N ATOM 264 CA LEU A 18 108.318 9.727 3.901 1.00 0.00 C ATOM 265 C LEU A 18 106.971 10.407 3.652 1.00 0.00 C ATOM 266 O LEU A 18 106.878 11.617 3.593 1.00 0.00 O ATOM 267 CB LEU A 18 108.246 8.899 5.185 1.00 0.00 C ATOM 268 CG LEU A 18 108.975 7.571 4.975 1.00 0.00 C ATOM 269 CD1 LEU A 18 108.823 6.698 6.222 1.00 0.00 C ATOM 270 CD2 LEU A 18 108.371 6.845 3.771 1.00 0.00 C ATOM 0 H LEU A 18 109.149 11.549 4.641 1.00 0.00 H new ATOM 0 HA LEU A 18 108.553 9.072 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 18 108.698 9.448 6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.206 8.717 5.455 1.00 0.00 H new ATOM 0 HG LEU A 18 110.033 7.764 4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.343 5.752 6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.251 7.214 7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 18 107.766 6.505 6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 18 108.889 5.898 3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 18 107.313 6.655 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 18 108.479 7.464 2.881 1.00 0.00 H new ATOM 282 N SER A 19 105.927 9.639 3.503 1.00 0.00 N ATOM 283 CA SER A 19 104.587 10.243 3.255 1.00 0.00 C ATOM 284 C SER A 19 103.933 10.603 4.590 1.00 0.00 C ATOM 285 O SER A 19 103.412 11.687 4.765 1.00 0.00 O ATOM 286 CB SER A 19 103.708 9.241 2.508 1.00 0.00 C ATOM 287 OG SER A 19 103.890 9.408 1.108 1.00 0.00 O ATOM 0 H SER A 19 105.944 8.620 3.542 1.00 0.00 H new ATOM 0 HA SER A 19 104.701 11.145 2.654 1.00 0.00 H new ATOM 0 HB2 SER A 19 103.967 8.224 2.801 1.00 0.00 H new ATOM 0 HB3 SER A 19 102.661 9.392 2.771 1.00 0.00 H new ATOM 0 HG SER A 19 103.242 10.061 0.770 1.00 0.00 H new ATOM 293 N HIS A 20 103.953 9.702 5.534 1.00 0.00 N ATOM 294 CA HIS A 20 103.331 9.994 6.856 1.00 0.00 C ATOM 295 C HIS A 20 101.808 9.997 6.715 1.00 0.00 C ATOM 296 O HIS A 20 101.267 10.476 5.737 1.00 0.00 O ATOM 297 CB HIS A 20 103.800 11.366 7.349 1.00 0.00 C ATOM 298 CG HIS A 20 105.273 11.515 7.089 1.00 0.00 C ATOM 299 ND1 HIS A 20 105.985 12.419 6.340 1.00 0.00 N flip ATOM 300 CD2 HIS A 20 106.211 10.655 7.637 1.00 0.00 C flip ATOM 301 CE1 HIS A 20 107.343 12.127 6.421 1.00 0.00 C flip ATOM 302 NE2 HIS A 20 107.424 11.055 7.214 1.00 0.00 N flip ATOM 0 H HIS A 20 104.373 8.777 5.447 1.00 0.00 H new ATOM 0 HA HIS A 20 103.628 9.229 7.573 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.248 12.156 6.839 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.595 11.471 8.414 1.00 0.00 H new ATOM 0 HD1 HIS A 20 105.580 13.188 5.806 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.006 9.816 8.286 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.157 12.654 5.945 1.00 0.00 H new ATOM 310 N ALA A 21 101.112 9.468 7.684 1.00 0.00 N ATOM 311 CA ALA A 21 99.624 9.441 7.604 1.00 0.00 C ATOM 312 C ALA A 21 99.185 8.348 6.629 1.00 0.00 C ATOM 313 O ALA A 21 99.881 8.027 5.687 1.00 0.00 O ATOM 314 CB ALA A 21 99.116 10.798 7.112 1.00 0.00 C ATOM 0 H ALA A 21 101.509 9.054 8.527 1.00 0.00 H new ATOM 0 HA ALA A 21 99.211 9.234 8.591 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.028 10.780 7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 21 99.429 11.577 7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.529 11.005 6.125 1.00 0.00 H new ATOM 320 N VAL A 22 98.035 7.771 6.847 1.00 0.00 N ATOM 321 CA VAL A 22 97.552 6.697 5.934 1.00 0.00 C ATOM 322 C VAL A 22 96.473 7.259 5.005 1.00 0.00 C ATOM 323 O VAL A 22 96.278 6.782 3.906 1.00 0.00 O ATOM 324 CB VAL A 22 96.963 5.552 6.760 1.00 0.00 C ATOM 325 CG1 VAL A 22 96.919 4.280 5.911 1.00 0.00 C ATOM 326 CG2 VAL A 22 97.837 5.311 7.994 1.00 0.00 C ATOM 0 H VAL A 22 97.408 7.997 7.619 1.00 0.00 H new ATOM 0 HA VAL A 22 98.387 6.327 5.339 1.00 0.00 H new ATOM 0 HB VAL A 22 95.953 5.814 7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 22 96.499 3.464 6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 22 96.297 4.451 5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 22 97.929 4.018 5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 22 97.418 4.495 8.583 1.00 0.00 H new ATOM 0 HG22 VAL A 22 98.847 5.049 7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 22 97.869 6.217 8.600 1.00 0.00 H new ATOM 336 N PHE A 23 95.769 8.269 5.440 1.00 0.00 N ATOM 337 CA PHE A 23 94.702 8.857 4.583 1.00 0.00 C ATOM 338 C PHE A 23 95.160 10.218 4.053 1.00 0.00 C ATOM 339 O PHE A 23 94.391 11.155 3.979 1.00 0.00 O ATOM 340 CB PHE A 23 93.425 9.035 5.407 1.00 0.00 C ATOM 341 CG PHE A 23 92.894 7.682 5.814 1.00 0.00 C ATOM 342 CD1 PHE A 23 93.407 7.042 6.949 1.00 0.00 C ATOM 343 CD2 PHE A 23 91.890 7.067 5.056 1.00 0.00 C ATOM 344 CE1 PHE A 23 92.915 5.787 7.326 1.00 0.00 C ATOM 345 CE2 PHE A 23 91.397 5.813 5.434 1.00 0.00 C ATOM 346 CZ PHE A 23 91.910 5.172 6.569 1.00 0.00 C ATOM 0 H PHE A 23 95.887 8.712 6.351 1.00 0.00 H new ATOM 0 HA PHE A 23 94.504 8.190 3.744 1.00 0.00 H new ATOM 0 HB2 PHE A 23 93.632 9.637 6.292 1.00 0.00 H new ATOM 0 HB3 PHE A 23 92.676 9.571 4.824 1.00 0.00 H new ATOM 0 HD1 PHE A 23 94.182 7.516 7.533 1.00 0.00 H new ATOM 0 HD2 PHE A 23 91.496 7.560 4.180 1.00 0.00 H new ATOM 0 HE1 PHE A 23 93.311 5.293 8.201 1.00 0.00 H new ATOM 0 HE2 PHE A 23 90.621 5.340 4.851 1.00 0.00 H new ATOM 0 HZ PHE A 23 91.531 4.204 6.860 1.00 0.00 H new ATOM 356 N SER A 24 96.406 10.334 3.685 1.00 0.00 N ATOM 357 CA SER A 24 96.908 11.635 3.162 1.00 0.00 C ATOM 358 C SER A 24 96.067 12.057 1.956 1.00 0.00 C ATOM 359 O SER A 24 95.516 11.234 1.251 1.00 0.00 O ATOM 360 CB SER A 24 98.368 11.485 2.735 1.00 0.00 C ATOM 361 OG SER A 24 98.553 10.210 2.134 1.00 0.00 O ATOM 0 H SER A 24 97.097 9.585 3.724 1.00 0.00 H new ATOM 0 HA SER A 24 96.834 12.393 3.942 1.00 0.00 H new ATOM 0 HB2 SER A 24 98.636 12.274 2.032 1.00 0.00 H new ATOM 0 HB3 SER A 24 99.024 11.591 3.599 1.00 0.00 H new ATOM 0 HG SER A 24 99.488 10.111 1.857 1.00 0.00 H new ATOM 367 N ASN A 25 95.963 13.335 1.711 1.00 0.00 N ATOM 368 CA ASN A 25 95.158 13.809 0.550 1.00 0.00 C ATOM 369 C ASN A 25 96.075 13.988 -0.662 1.00 0.00 C ATOM 370 O ASN A 25 95.891 14.882 -1.465 1.00 0.00 O ATOM 371 CB ASN A 25 94.503 15.147 0.898 1.00 0.00 C ATOM 372 CG ASN A 25 93.284 15.367 0.000 1.00 0.00 C ATOM 373 OD1 ASN A 25 92.090 15.353 0.526 1.00 0.00 O flip ATOM 374 ND2 ASN A 25 93.420 15.554 -1.192 1.00 0.00 N flip ATOM 0 H ASN A 25 96.401 14.071 2.265 1.00 0.00 H new ATOM 0 HA ASN A 25 94.385 13.077 0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 25 94.202 15.155 1.946 1.00 0.00 H new ATOM 0 HB3 ASN A 25 95.217 15.959 0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 25 94.353 15.565 -1.603 1.00 0.00 H new ATOM 0 HD22 ASN A 25 92.601 15.700 -1.782 1.00 0.00 H new ATOM 381 N ARG A 26 97.064 13.147 -0.798 1.00 0.00 N ATOM 382 CA ARG A 26 97.994 13.271 -1.955 1.00 0.00 C ATOM 383 C ARG A 26 97.952 11.990 -2.790 1.00 0.00 C ATOM 384 O ARG A 26 97.526 10.950 -2.328 1.00 0.00 O ATOM 385 CB ARG A 26 99.418 13.495 -1.439 1.00 0.00 C ATOM 386 CG ARG A 26 100.087 14.604 -2.253 1.00 0.00 C ATOM 387 CD ARG A 26 101.048 15.386 -1.357 1.00 0.00 C ATOM 388 NE ARG A 26 100.268 16.181 -0.367 1.00 0.00 N ATOM 389 CZ ARG A 26 100.790 16.470 0.795 1.00 0.00 C ATOM 390 NH1 ARG A 26 101.291 15.522 1.538 1.00 0.00 N ATOM 391 NH2 ARG A 26 100.809 17.707 1.212 1.00 0.00 N ATOM 0 H ARG A 26 97.268 12.380 -0.158 1.00 0.00 H new ATOM 0 HA ARG A 26 97.691 14.115 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 26 99.395 13.767 -0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 26 99.994 12.573 -1.518 1.00 0.00 H new ATOM 0 HG2 ARG A 26 100.628 14.175 -3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 26 99.332 15.273 -2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 26 101.720 14.700 -0.841 1.00 0.00 H new ATOM 0 HD3 ARG A 26 101.670 16.047 -1.961 1.00 0.00 H new ATOM 0 HE ARG A 26 99.327 16.499 -0.597 1.00 0.00 H new ATOM 0 HH11 ARG A 26 101.275 14.556 1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 26 101.699 15.747 2.445 1.00 0.00 H new ATOM 0 HH21 ARG A 26 100.416 18.447 0.631 1.00 0.00 H new ATOM 0 HH22 ARG A 26 101.216 17.933 2.119 1.00 0.00 H new ATOM 405 N THR A 27 98.393 12.057 -4.016 1.00 0.00 N ATOM 406 CA THR A 27 98.384 10.843 -4.880 1.00 0.00 C ATOM 407 C THR A 27 99.813 10.529 -5.324 1.00 0.00 C ATOM 408 O THR A 27 100.266 10.979 -6.357 1.00 0.00 O ATOM 409 CB THR A 27 97.512 11.099 -6.111 1.00 0.00 C ATOM 410 OG1 THR A 27 97.946 12.287 -6.759 1.00 0.00 O ATOM 411 CG2 THR A 27 96.052 11.252 -5.681 1.00 0.00 C ATOM 0 H THR A 27 98.759 12.901 -4.457 1.00 0.00 H new ATOM 0 HA THR A 27 97.981 9.999 -4.320 1.00 0.00 H new ATOM 0 HB THR A 27 97.599 10.258 -6.800 1.00 0.00 H new ATOM 0 HG1 THR A 27 98.925 12.306 -6.785 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.431 11.434 -6.558 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.721 10.339 -5.186 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.962 12.092 -4.992 1.00 0.00 H new ATOM 419 N LEU A 28 100.529 9.764 -4.547 1.00 0.00 N ATOM 420 CA LEU A 28 101.931 9.426 -4.924 1.00 0.00 C ATOM 421 C LEU A 28 101.973 8.032 -5.551 1.00 0.00 C ATOM 422 O LEU A 28 101.409 7.089 -5.031 1.00 0.00 O ATOM 423 CB LEU A 28 102.816 9.448 -3.674 1.00 0.00 C ATOM 424 CG LEU A 28 102.298 10.504 -2.694 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.612 9.814 -1.513 1.00 0.00 C ATOM 426 CD2 LEU A 28 103.471 11.342 -2.180 1.00 0.00 C ATOM 0 H LEU A 28 100.205 9.359 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 28 102.297 10.158 -5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 28 102.816 8.467 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 28 103.847 9.669 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 28 101.583 11.150 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 28 101.244 10.567 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 28 100.776 9.216 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 28 102.327 9.167 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 28 103.103 12.094 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 28 104.186 10.695 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 28 103.961 11.835 -3.019 1.00 0.00 H new ATOM 438 N ALA A 29 102.644 7.890 -6.661 1.00 0.00 N ATOM 439 CA ALA A 29 102.729 6.554 -7.316 1.00 0.00 C ATOM 440 C ALA A 29 103.951 5.806 -6.775 1.00 0.00 C ATOM 441 O ALA A 29 104.502 4.939 -7.424 1.00 0.00 O ATOM 442 CB ALA A 29 102.865 6.733 -8.830 1.00 0.00 C ATOM 0 H ALA A 29 103.137 8.642 -7.143 1.00 0.00 H new ATOM 0 HA ALA A 29 101.826 5.983 -7.102 1.00 0.00 H new ATOM 0 HB1 ALA A 29 102.927 5.755 -9.308 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.997 7.269 -9.212 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.768 7.302 -9.049 1.00 0.00 H new ATOM 448 N CYS A 30 104.377 6.133 -5.586 1.00 0.00 N ATOM 449 CA CYS A 30 105.554 5.438 -4.992 1.00 0.00 C ATOM 450 C CYS A 30 105.241 5.109 -3.535 1.00 0.00 C ATOM 451 O CYS A 30 104.722 5.929 -2.803 1.00 0.00 O ATOM 452 CB CYS A 30 106.785 6.344 -5.057 1.00 0.00 C ATOM 453 SG CYS A 30 108.122 5.608 -4.080 1.00 0.00 S ATOM 0 H CYS A 30 103.959 6.854 -4.998 1.00 0.00 H new ATOM 0 HA CYS A 30 105.760 4.524 -5.549 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.103 6.471 -6.092 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.542 7.335 -4.674 1.00 0.00 H new ATOM 0 HG CYS A 30 107.994 4.314 -4.075 1.00 0.00 H new ATOM 459 N PHE A 31 105.541 3.918 -3.102 1.00 0.00 N ATOM 460 CA PHE A 31 105.238 3.560 -1.686 1.00 0.00 C ATOM 461 C PHE A 31 106.346 2.673 -1.117 1.00 0.00 C ATOM 462 O PHE A 31 106.909 1.842 -1.802 1.00 0.00 O ATOM 463 CB PHE A 31 103.909 2.802 -1.620 1.00 0.00 C ATOM 464 CG PHE A 31 102.881 3.484 -2.493 1.00 0.00 C ATOM 465 CD1 PHE A 31 103.015 3.456 -3.887 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.789 4.135 -1.907 1.00 0.00 C ATOM 467 CE1 PHE A 31 102.060 4.082 -4.693 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.832 4.758 -2.713 1.00 0.00 C ATOM 469 CZ PHE A 31 100.966 4.734 -4.106 1.00 0.00 C ATOM 0 H PHE A 31 105.978 3.183 -3.658 1.00 0.00 H new ATOM 0 HA PHE A 31 105.172 4.477 -1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.051 1.772 -1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.554 2.762 -0.590 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.856 2.951 -4.339 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.686 4.156 -0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 31 102.165 4.064 -5.768 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.989 5.258 -2.261 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.227 5.217 -4.728 1.00 0.00 H new ATOM 479 N ALA A 32 106.651 2.838 0.142 1.00 0.00 N ATOM 480 CA ALA A 32 107.706 2.000 0.771 1.00 0.00 C ATOM 481 C ALA A 32 107.053 1.045 1.768 1.00 0.00 C ATOM 482 O ALA A 32 106.608 1.443 2.827 1.00 0.00 O ATOM 483 CB ALA A 32 108.708 2.891 1.506 1.00 0.00 C ATOM 0 H ALA A 32 106.213 3.519 0.762 1.00 0.00 H new ATOM 0 HA ALA A 32 108.229 1.434 -0.000 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.478 2.271 1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 32 109.170 3.580 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 32 108.191 3.459 2.280 1.00 0.00 H new ATOM 489 N ILE A 33 106.989 -0.214 1.439 1.00 0.00 N ATOM 490 CA ILE A 33 106.364 -1.190 2.369 1.00 0.00 C ATOM 491 C ILE A 33 107.389 -1.614 3.420 1.00 0.00 C ATOM 492 O ILE A 33 108.449 -2.106 3.099 1.00 0.00 O ATOM 493 CB ILE A 33 105.899 -2.418 1.585 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.702 -2.042 0.708 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.487 -3.522 2.561 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.799 -2.775 -0.630 1.00 0.00 C ATOM 0 H ILE A 33 107.342 -0.608 0.567 1.00 0.00 H new ATOM 0 HA ILE A 33 105.507 -0.729 2.860 1.00 0.00 H new ATOM 0 HB ILE A 33 106.714 -2.775 0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.772 -2.305 1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.682 -0.965 0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 33 105.156 -4.397 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.338 -3.792 3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.673 -3.165 3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.947 -2.507 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 33 105.722 -2.490 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.798 -3.851 -0.456 1.00 0.00 H new ATOM 508 N TYR A 34 107.083 -1.433 4.671 1.00 0.00 N ATOM 509 CA TYR A 34 108.044 -1.836 5.734 1.00 0.00 C ATOM 510 C TYR A 34 107.421 -2.955 6.564 1.00 0.00 C ATOM 511 O TYR A 34 106.515 -2.731 7.342 1.00 0.00 O ATOM 512 CB TYR A 34 108.347 -0.638 6.634 1.00 0.00 C ATOM 513 CG TYR A 34 109.141 -1.100 7.832 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.098 -2.112 7.689 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.919 -0.519 9.086 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.833 -2.541 8.798 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.653 -0.950 10.195 1.00 0.00 C ATOM 518 CZ TYR A 34 110.612 -1.960 10.052 1.00 0.00 C ATOM 519 OH TYR A 34 111.337 -2.384 11.146 1.00 0.00 O ATOM 0 H TYR A 34 106.210 -1.024 5.005 1.00 0.00 H new ATOM 0 HA TYR A 34 108.972 -2.184 5.280 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.908 0.115 6.080 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.418 -0.168 6.958 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.268 -2.561 6.722 1.00 0.00 H new ATOM 0 HD2 TYR A 34 108.181 0.262 9.197 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.572 -3.321 8.687 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.480 -0.503 11.163 1.00 0.00 H new ATOM 0 HH TYR A 34 111.844 -1.631 11.514 1.00 0.00 H new ATOM 529 N THR A 35 107.887 -4.162 6.400 1.00 0.00 N ATOM 530 CA THR A 35 107.299 -5.288 7.182 1.00 0.00 C ATOM 531 C THR A 35 108.251 -6.486 7.161 1.00 0.00 C ATOM 532 O THR A 35 109.256 -6.485 6.478 1.00 0.00 O ATOM 533 CB THR A 35 105.937 -5.695 6.585 1.00 0.00 C ATOM 534 OG1 THR A 35 105.923 -7.095 6.340 1.00 0.00 O ATOM 535 CG2 THR A 35 105.684 -4.950 5.269 1.00 0.00 C ATOM 0 H THR A 35 108.643 -4.417 5.764 1.00 0.00 H new ATOM 0 HA THR A 35 107.151 -4.963 8.212 1.00 0.00 H new ATOM 0 HB THR A 35 105.153 -5.435 7.297 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.571 -7.311 5.637 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.718 -5.249 4.861 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.683 -3.876 5.453 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.471 -5.195 4.555 1.00 0.00 H new ATOM 543 N THR A 36 107.935 -7.508 7.911 1.00 0.00 N ATOM 544 CA THR A 36 108.808 -8.715 7.950 1.00 0.00 C ATOM 545 C THR A 36 109.302 -9.046 6.539 1.00 0.00 C ATOM 546 O THR A 36 108.595 -8.872 5.564 1.00 0.00 O ATOM 547 CB THR A 36 108.010 -9.903 8.498 1.00 0.00 C ATOM 548 OG1 THR A 36 106.817 -10.058 7.742 1.00 0.00 O ATOM 549 CG2 THR A 36 107.655 -9.657 9.967 1.00 0.00 C ATOM 0 H THR A 36 107.105 -7.558 8.501 1.00 0.00 H new ATOM 0 HA THR A 36 109.664 -8.517 8.595 1.00 0.00 H new ATOM 0 HB THR A 36 108.613 -10.808 8.422 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.306 -10.818 8.090 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.088 -10.505 10.351 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.570 -9.540 10.548 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.054 -8.751 10.049 1.00 0.00 H new ATOM 557 N LYS A 37 110.512 -9.522 6.421 1.00 0.00 N ATOM 558 CA LYS A 37 111.051 -9.865 5.080 1.00 0.00 C ATOM 559 C LYS A 37 110.152 -10.917 4.428 1.00 0.00 C ATOM 560 O LYS A 37 109.736 -10.775 3.296 1.00 0.00 O ATOM 561 CB LYS A 37 112.468 -10.418 5.234 1.00 0.00 C ATOM 562 CG LYS A 37 112.462 -11.589 6.219 1.00 0.00 C ATOM 563 CD LYS A 37 113.896 -11.905 6.646 1.00 0.00 C ATOM 564 CE LYS A 37 113.898 -12.421 8.086 1.00 0.00 C ATOM 565 NZ LYS A 37 115.272 -12.306 8.652 1.00 0.00 N ATOM 0 H LYS A 37 111.150 -9.687 7.200 1.00 0.00 H new ATOM 0 HA LYS A 37 111.077 -8.975 4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.847 -10.746 4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.137 -9.635 5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.858 -11.341 7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 37 112.008 -12.465 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.329 -12.652 5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 37 114.515 -11.011 6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 37 113.195 -11.848 8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 37 113.568 -13.459 8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 115.275 -12.657 9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 115.931 -12.871 8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 115.570 -11.310 8.640 1.00 0.00 H new ATOM 579 N GLU A 38 109.846 -11.972 5.133 1.00 0.00 N ATOM 580 CA GLU A 38 108.973 -13.026 4.555 1.00 0.00 C ATOM 581 C GLU A 38 107.755 -12.368 3.905 1.00 0.00 C ATOM 582 O GLU A 38 107.175 -12.891 2.974 1.00 0.00 O ATOM 583 CB GLU A 38 108.510 -13.974 5.663 1.00 0.00 C ATOM 584 CG GLU A 38 109.727 -14.653 6.295 1.00 0.00 C ATOM 585 CD GLU A 38 110.032 -15.951 5.547 1.00 0.00 C ATOM 586 OE1 GLU A 38 109.778 -15.999 4.354 1.00 0.00 O ATOM 587 OE2 GLU A 38 110.515 -16.877 6.179 1.00 0.00 O ATOM 0 H GLU A 38 110.165 -12.147 6.086 1.00 0.00 H new ATOM 0 HA GLU A 38 109.529 -13.591 3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 38 107.954 -13.421 6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.833 -14.724 5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 38 110.589 -13.987 6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 38 109.534 -14.864 7.347 1.00 0.00 H new ATOM 594 N LYS A 39 107.366 -11.221 4.390 1.00 0.00 N ATOM 595 CA LYS A 39 106.188 -10.525 3.803 1.00 0.00 C ATOM 596 C LYS A 39 106.583 -9.898 2.465 1.00 0.00 C ATOM 597 O LYS A 39 106.009 -10.195 1.438 1.00 0.00 O ATOM 598 CB LYS A 39 105.710 -9.431 4.762 1.00 0.00 C ATOM 599 CG LYS A 39 104.237 -9.662 5.105 1.00 0.00 C ATOM 600 CD LYS A 39 104.003 -9.355 6.586 1.00 0.00 C ATOM 601 CE LYS A 39 102.840 -8.372 6.725 1.00 0.00 C ATOM 602 NZ LYS A 39 101.962 -8.796 7.853 1.00 0.00 N ATOM 0 H LYS A 39 107.814 -10.736 5.168 1.00 0.00 H new ATOM 0 HA LYS A 39 105.383 -11.242 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.312 -9.441 5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.839 -8.450 4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 39 103.604 -9.025 4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 39 103.960 -10.694 4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 39 103.783 -10.274 7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 39 104.905 -8.932 7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 39 103.220 -7.366 6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 39 102.267 -8.336 5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 101.012 -9.014 7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 102.362 -9.643 8.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 101.898 -8.028 8.551 1.00 0.00 H new ATOM 616 N ALA A 40 107.561 -9.033 2.466 1.00 0.00 N ATOM 617 CA ALA A 40 107.984 -8.394 1.188 1.00 0.00 C ATOM 618 C ALA A 40 108.109 -9.462 0.101 1.00 0.00 C ATOM 619 O ALA A 40 107.696 -9.264 -1.024 1.00 0.00 O ATOM 620 CB ALA A 40 109.339 -7.708 1.373 1.00 0.00 C ATOM 0 H ALA A 40 108.083 -8.742 3.293 1.00 0.00 H new ATOM 0 HA ALA A 40 107.239 -7.654 0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.642 -7.243 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 40 109.258 -6.945 2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 40 110.084 -8.447 1.669 1.00 0.00 H new ATOM 626 N ALA A 41 108.676 -10.593 0.425 1.00 0.00 N ATOM 627 CA ALA A 41 108.826 -11.668 -0.594 1.00 0.00 C ATOM 628 C ALA A 41 107.484 -11.905 -1.285 1.00 0.00 C ATOM 629 O ALA A 41 107.396 -11.965 -2.495 1.00 0.00 O ATOM 630 CB ALA A 41 109.288 -12.958 0.088 1.00 0.00 C ATOM 0 H ALA A 41 109.041 -10.818 1.351 1.00 0.00 H new ATOM 0 HA ALA A 41 109.566 -11.366 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.398 -13.745 -0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.246 -12.787 0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.550 -13.262 0.830 1.00 0.00 H new ATOM 636 N LEU A 42 106.436 -12.036 -0.522 1.00 0.00 N ATOM 637 CA LEU A 42 105.095 -12.263 -1.131 1.00 0.00 C ATOM 638 C LEU A 42 104.658 -10.997 -1.870 1.00 0.00 C ATOM 639 O LEU A 42 103.928 -11.051 -2.839 1.00 0.00 O ATOM 640 CB LEU A 42 104.082 -12.587 -0.031 1.00 0.00 C ATOM 641 CG LEU A 42 104.078 -14.092 0.235 1.00 0.00 C ATOM 642 CD1 LEU A 42 104.768 -14.376 1.570 1.00 0.00 C ATOM 643 CD2 LEU A 42 102.634 -14.596 0.291 1.00 0.00 C ATOM 0 H LEU A 42 106.449 -11.996 0.497 1.00 0.00 H new ATOM 0 HA LEU A 42 105.147 -13.097 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.335 -12.047 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.087 -12.258 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 42 104.611 -14.604 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 42 104.765 -15.449 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 42 105.796 -14.017 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 42 104.235 -13.864 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 42 102.630 -15.669 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.101 -14.084 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 42 102.141 -14.394 -0.660 1.00 0.00 H new ATOM 655 N LEU A 43 105.102 -9.857 -1.417 1.00 0.00 N ATOM 656 CA LEU A 43 104.716 -8.585 -2.088 1.00 0.00 C ATOM 657 C LEU A 43 105.576 -8.388 -3.337 1.00 0.00 C ATOM 658 O LEU A 43 105.306 -7.536 -4.160 1.00 0.00 O ATOM 659 CB LEU A 43 104.939 -7.415 -1.125 1.00 0.00 C ATOM 660 CG LEU A 43 103.778 -7.326 -0.128 1.00 0.00 C ATOM 661 CD1 LEU A 43 102.558 -6.716 -0.819 1.00 0.00 C ATOM 662 CD2 LEU A 43 103.426 -8.726 0.384 1.00 0.00 C ATOM 0 H LEU A 43 105.716 -9.752 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 43 103.665 -8.627 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.879 -7.548 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 43 105.020 -6.483 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 43 104.074 -6.699 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 43 101.732 -6.653 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 43 102.805 -5.717 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.266 -7.343 -1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 43 102.600 -8.657 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 43 103.133 -9.357 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 43 104.294 -9.161 0.880 1.00 0.00 H new ATOM 674 N TYR A 44 106.611 -9.169 -3.487 1.00 0.00 N ATOM 675 CA TYR A 44 107.485 -9.024 -4.685 1.00 0.00 C ATOM 676 C TYR A 44 106.769 -9.616 -5.901 1.00 0.00 C ATOM 677 O TYR A 44 106.329 -8.906 -6.782 1.00 0.00 O ATOM 678 CB TYR A 44 108.806 -9.764 -4.451 1.00 0.00 C ATOM 679 CG TYR A 44 109.903 -9.117 -5.268 1.00 0.00 C ATOM 680 CD1 TYR A 44 110.497 -7.925 -4.832 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.324 -9.710 -6.465 1.00 0.00 C ATOM 682 CE1 TYR A 44 111.511 -7.329 -5.595 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.335 -9.112 -7.226 1.00 0.00 C ATOM 684 CZ TYR A 44 111.928 -7.922 -6.791 1.00 0.00 C ATOM 685 OH TYR A 44 112.923 -7.329 -7.543 1.00 0.00 O ATOM 0 H TYR A 44 106.889 -9.900 -2.832 1.00 0.00 H new ATOM 0 HA TYR A 44 107.695 -7.969 -4.862 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.065 -9.740 -3.393 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.701 -10.812 -4.730 1.00 0.00 H new ATOM 0 HD1 TYR A 44 110.174 -7.466 -3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 44 109.868 -10.630 -6.801 1.00 0.00 H new ATOM 0 HE1 TYR A 44 111.970 -6.411 -5.259 1.00 0.00 H new ATOM 0 HE2 TYR A 44 111.658 -9.570 -8.150 1.00 0.00 H new ATOM 0 HH TYR A 44 112.967 -6.373 -7.332 1.00 0.00 H new ATOM 695 N LYS A 45 106.639 -10.913 -5.952 1.00 0.00 N ATOM 696 CA LYS A 45 105.947 -11.544 -7.110 1.00 0.00 C ATOM 697 C LYS A 45 104.482 -11.097 -7.140 1.00 0.00 C ATOM 698 O LYS A 45 103.772 -11.333 -8.097 1.00 0.00 O ATOM 699 CB LYS A 45 106.016 -13.067 -6.975 1.00 0.00 C ATOM 700 CG LYS A 45 106.429 -13.680 -8.315 1.00 0.00 C ATOM 701 CD LYS A 45 105.200 -14.273 -9.006 1.00 0.00 C ATOM 702 CE LYS A 45 105.546 -15.654 -9.569 1.00 0.00 C ATOM 703 NZ LYS A 45 104.326 -16.267 -10.165 1.00 0.00 N ATOM 0 H LYS A 45 106.981 -11.562 -5.243 1.00 0.00 H new ATOM 0 HA LYS A 45 106.435 -11.238 -8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.732 -13.342 -6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.047 -13.460 -6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 45 106.885 -12.920 -8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 45 107.179 -14.455 -8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 45 104.375 -14.354 -8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 45 104.868 -13.614 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 45 106.327 -15.565 -10.324 1.00 0.00 H new ATOM 0 HE3 LYS A 45 105.938 -16.293 -8.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 104.560 -17.205 -10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 103.594 -16.365 -9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 103.971 -15.660 -10.931 1.00 0.00 H new ATOM 717 N LYS A 46 104.021 -10.454 -6.099 1.00 0.00 N ATOM 718 CA LYS A 46 102.602 -9.998 -6.072 1.00 0.00 C ATOM 719 C LYS A 46 102.499 -8.587 -6.660 1.00 0.00 C ATOM 720 O LYS A 46 102.058 -8.402 -7.778 1.00 0.00 O ATOM 721 CB LYS A 46 102.101 -9.983 -4.627 1.00 0.00 C ATOM 722 CG LYS A 46 101.756 -11.408 -4.192 1.00 0.00 C ATOM 723 CD LYS A 46 101.181 -11.384 -2.774 1.00 0.00 C ATOM 724 CE LYS A 46 100.332 -12.636 -2.547 1.00 0.00 C ATOM 725 NZ LYS A 46 101.215 -13.836 -2.520 1.00 0.00 N ATOM 0 H LYS A 46 104.566 -10.226 -5.268 1.00 0.00 H new ATOM 0 HA LYS A 46 101.993 -10.681 -6.665 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.865 -9.566 -3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 46 101.223 -9.343 -4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 46 101.034 -11.845 -4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 46 102.647 -12.035 -4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 46 101.989 -11.342 -2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 46 100.575 -10.490 -2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 46 99.785 -12.552 -1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 46 99.591 -12.734 -3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 100.842 -14.526 -1.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 101.244 -14.267 -3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 102.176 -13.554 -2.238 1.00 0.00 H new ATOM 739 N ILE A 47 102.896 -7.590 -5.917 1.00 0.00 N ATOM 740 CA ILE A 47 102.813 -6.193 -6.434 1.00 0.00 C ATOM 741 C ILE A 47 103.359 -6.137 -7.864 1.00 0.00 C ATOM 742 O ILE A 47 103.026 -5.256 -8.627 1.00 0.00 O ATOM 743 CB ILE A 47 103.649 -5.265 -5.550 1.00 0.00 C ATOM 744 CG1 ILE A 47 103.028 -5.195 -4.138 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.715 -3.874 -6.197 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.134 -3.955 -3.982 1.00 0.00 C ATOM 0 H ILE A 47 103.274 -7.682 -4.974 1.00 0.00 H new ATOM 0 HA ILE A 47 101.771 -5.874 -6.424 1.00 0.00 H new ATOM 0 HB ILE A 47 104.664 -5.651 -5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.441 -6.095 -3.951 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.821 -5.171 -3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 47 104.310 -3.209 -5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.175 -3.952 -7.182 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.707 -3.472 -6.298 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.712 -3.935 -2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.728 -3.056 -4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.327 -3.994 -4.714 1.00 0.00 H new ATOM 758 N MET A 48 104.206 -7.058 -8.226 1.00 0.00 N ATOM 759 CA MET A 48 104.785 -7.041 -9.601 1.00 0.00 C ATOM 760 C MET A 48 103.679 -6.851 -10.647 1.00 0.00 C ATOM 761 O MET A 48 103.500 -5.776 -11.183 1.00 0.00 O ATOM 762 CB MET A 48 105.516 -8.361 -9.859 1.00 0.00 C ATOM 763 CG MET A 48 107.029 -8.116 -9.885 1.00 0.00 C ATOM 764 SD MET A 48 107.514 -7.111 -8.458 1.00 0.00 S ATOM 765 CE MET A 48 109.239 -7.652 -8.369 1.00 0.00 C ATOM 0 H MET A 48 104.524 -7.823 -7.631 1.00 0.00 H new ATOM 0 HA MET A 48 105.485 -6.209 -9.680 1.00 0.00 H new ATOM 0 HB2 MET A 48 105.268 -9.083 -9.081 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.191 -8.789 -10.807 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.561 -9.067 -9.869 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.309 -7.610 -10.809 1.00 0.00 H new ATOM 0 HE1 MET A 48 109.613 -7.510 -7.355 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.304 -8.707 -8.636 1.00 0.00 H new ATOM 0 HE3 MET A 48 109.841 -7.065 -9.063 1.00 0.00 H new ATOM 775 N GLU A 49 102.949 -7.889 -10.956 1.00 0.00 N ATOM 776 CA GLU A 49 101.874 -7.767 -11.986 1.00 0.00 C ATOM 777 C GLU A 49 100.648 -7.060 -11.399 1.00 0.00 C ATOM 778 O GLU A 49 99.640 -6.905 -12.060 1.00 0.00 O ATOM 779 CB GLU A 49 101.470 -9.162 -12.464 1.00 0.00 C ATOM 780 CG GLU A 49 102.132 -9.450 -13.814 1.00 0.00 C ATOM 781 CD GLU A 49 103.617 -9.749 -13.599 1.00 0.00 C ATOM 782 OE1 GLU A 49 103.916 -10.792 -13.040 1.00 0.00 O ATOM 783 OE2 GLU A 49 104.430 -8.932 -13.999 1.00 0.00 O ATOM 0 H GLU A 49 103.049 -8.815 -10.541 1.00 0.00 H new ATOM 0 HA GLU A 49 102.254 -7.181 -12.823 1.00 0.00 H new ATOM 0 HB2 GLU A 49 101.772 -9.911 -11.732 1.00 0.00 H new ATOM 0 HB3 GLU A 49 100.386 -9.226 -12.557 1.00 0.00 H new ATOM 0 HG2 GLU A 49 101.645 -10.298 -14.297 1.00 0.00 H new ATOM 0 HG3 GLU A 49 102.015 -8.594 -14.479 1.00 0.00 H new ATOM 790 N LYS A 50 100.717 -6.631 -10.170 1.00 0.00 N ATOM 791 CA LYS A 50 99.543 -5.941 -9.562 1.00 0.00 C ATOM 792 C LYS A 50 99.642 -4.431 -9.809 1.00 0.00 C ATOM 793 O LYS A 50 98.647 -3.735 -9.849 1.00 0.00 O ATOM 794 CB LYS A 50 99.513 -6.216 -8.057 1.00 0.00 C ATOM 795 CG LYS A 50 98.228 -5.641 -7.455 1.00 0.00 C ATOM 796 CD LYS A 50 97.511 -6.716 -6.631 1.00 0.00 C ATOM 797 CE LYS A 50 98.522 -7.458 -5.753 1.00 0.00 C ATOM 798 NZ LYS A 50 98.680 -8.854 -6.249 1.00 0.00 N ATOM 0 H LYS A 50 101.530 -6.727 -9.562 1.00 0.00 H new ATOM 0 HA LYS A 50 98.628 -6.318 -10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.565 -7.289 -7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.383 -5.768 -7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.464 -4.784 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.573 -5.282 -8.249 1.00 0.00 H new ATOM 0 HD2 LYS A 50 96.743 -6.258 -6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 50 97.007 -7.419 -7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.483 -6.943 -5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.184 -7.465 -4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 99.653 -9.177 -6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 98.013 -9.477 -5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 98.484 -8.884 -7.270 1.00 0.00 H new ATOM 812 N TYR A 51 100.833 -3.918 -9.974 1.00 0.00 N ATOM 813 CA TYR A 51 100.987 -2.452 -10.213 1.00 0.00 C ATOM 814 C TYR A 51 102.071 -2.198 -11.261 1.00 0.00 C ATOM 815 O TYR A 51 102.547 -1.091 -11.398 1.00 0.00 O ATOM 816 CB TYR A 51 101.405 -1.761 -8.913 1.00 0.00 C ATOM 817 CG TYR A 51 100.215 -1.641 -8.000 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.911 -2.679 -7.118 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.411 -0.497 -8.043 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.803 -2.573 -6.272 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.303 -0.389 -7.204 1.00 0.00 C ATOM 822 CZ TYR A 51 97.996 -1.428 -6.314 1.00 0.00 C ATOM 823 OH TYR A 51 96.899 -1.323 -5.483 1.00 0.00 O ATOM 0 H TYR A 51 101.704 -4.449 -9.954 1.00 0.00 H new ATOM 0 HA TYR A 51 100.034 -2.057 -10.564 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.195 -2.331 -8.424 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.812 -0.773 -9.129 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.531 -3.563 -7.089 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.649 0.304 -8.727 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.569 -3.374 -5.586 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.682 0.494 -7.239 1.00 0.00 H new ATOM 0 HH TYR A 51 96.451 -0.466 -5.640 1.00 0.00 H new ATOM 833 N SER A 52 102.480 -3.199 -11.992 1.00 0.00 N ATOM 834 CA SER A 52 103.550 -2.969 -13.005 1.00 0.00 C ATOM 835 C SER A 52 104.664 -2.153 -12.346 1.00 0.00 C ATOM 836 O SER A 52 105.137 -1.172 -12.884 1.00 0.00 O ATOM 837 CB SER A 52 102.978 -2.192 -14.191 1.00 0.00 C ATOM 838 OG SER A 52 101.583 -2.006 -14.001 1.00 0.00 O ATOM 0 H SER A 52 102.126 -4.154 -11.934 1.00 0.00 H new ATOM 0 HA SER A 52 103.940 -3.921 -13.364 1.00 0.00 H new ATOM 0 HB2 SER A 52 103.476 -1.227 -14.283 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.161 -2.735 -15.118 1.00 0.00 H new ATOM 0 HG SER A 52 101.213 -1.507 -14.759 1.00 0.00 H new ATOM 844 N VAL A 53 105.059 -2.551 -11.167 1.00 0.00 N ATOM 845 CA VAL A 53 106.119 -1.817 -10.417 1.00 0.00 C ATOM 846 C VAL A 53 107.184 -1.258 -11.360 1.00 0.00 C ATOM 847 O VAL A 53 107.747 -1.964 -12.173 1.00 0.00 O ATOM 848 CB VAL A 53 106.789 -2.770 -9.431 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.778 -3.198 -8.371 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.298 -4.004 -10.181 1.00 0.00 C ATOM 0 H VAL A 53 104.685 -3.368 -10.684 1.00 0.00 H new ATOM 0 HA VAL A 53 105.648 -0.986 -9.892 1.00 0.00 H new ATOM 0 HB VAL A 53 107.627 -2.266 -8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.256 -3.879 -7.666 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.416 -2.319 -7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.939 -3.702 -8.851 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.777 -4.685 -9.478 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.460 -4.509 -10.662 1.00 0.00 H new ATOM 0 HG23 VAL A 53 108.020 -3.698 -10.938 1.00 0.00 H new ATOM 860 N THR A 54 107.495 0.002 -11.217 1.00 0.00 N ATOM 861 CA THR A 54 108.558 0.611 -12.059 1.00 0.00 C ATOM 862 C THR A 54 109.916 0.250 -11.446 1.00 0.00 C ATOM 863 O THR A 54 110.957 0.675 -11.908 1.00 0.00 O ATOM 864 CB THR A 54 108.386 2.132 -12.078 1.00 0.00 C ATOM 865 OG1 THR A 54 107.009 2.448 -12.227 1.00 0.00 O ATOM 866 CG2 THR A 54 109.176 2.722 -13.245 1.00 0.00 C ATOM 0 H THR A 54 107.055 0.636 -10.550 1.00 0.00 H new ATOM 0 HA THR A 54 108.495 0.238 -13.081 1.00 0.00 H new ATOM 0 HB THR A 54 108.757 2.552 -11.143 1.00 0.00 H new ATOM 0 HG1 THR A 54 106.896 3.421 -12.238 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.053 3.805 -13.257 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.232 2.478 -13.130 1.00 0.00 H new ATOM 0 HG23 THR A 54 108.808 2.304 -14.182 1.00 0.00 H new ATOM 874 N PHE A 55 109.898 -0.532 -10.398 1.00 0.00 N ATOM 875 CA PHE A 55 111.151 -0.944 -9.717 1.00 0.00 C ATOM 876 C PHE A 55 110.781 -1.419 -8.312 1.00 0.00 C ATOM 877 O PHE A 55 110.034 -0.770 -7.608 1.00 0.00 O ATOM 878 CB PHE A 55 112.114 0.246 -9.636 1.00 0.00 C ATOM 879 CG PHE A 55 113.102 0.029 -8.509 1.00 0.00 C ATOM 880 CD1 PHE A 55 114.150 -0.887 -8.659 1.00 0.00 C ATOM 881 CD2 PHE A 55 112.959 0.737 -7.311 1.00 0.00 C ATOM 882 CE1 PHE A 55 115.055 -1.091 -7.614 1.00 0.00 C ATOM 883 CE2 PHE A 55 113.862 0.531 -6.262 1.00 0.00 C ATOM 884 CZ PHE A 55 114.913 -0.384 -6.415 1.00 0.00 C ATOM 0 H PHE A 55 109.047 -0.908 -9.981 1.00 0.00 H new ATOM 0 HA PHE A 55 111.644 -1.744 -10.269 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.645 0.361 -10.581 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.555 1.167 -9.470 1.00 0.00 H new ATOM 0 HD1 PHE A 55 114.259 -1.436 -9.583 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.150 1.444 -7.196 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.865 -1.795 -7.732 1.00 0.00 H new ATOM 0 HE2 PHE A 55 113.749 1.076 -5.336 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.613 -0.543 -5.608 1.00 0.00 H new ATOM 894 N ILE A 56 111.288 -2.541 -7.894 1.00 0.00 N ATOM 895 CA ILE A 56 110.943 -3.032 -6.533 1.00 0.00 C ATOM 896 C ILE A 56 112.169 -3.691 -5.904 1.00 0.00 C ATOM 897 O ILE A 56 112.683 -4.664 -6.410 1.00 0.00 O ATOM 898 CB ILE A 56 109.805 -4.044 -6.630 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.627 -4.744 -5.280 1.00 0.00 C ATOM 900 CG2 ILE A 56 110.139 -5.076 -7.705 1.00 0.00 C ATOM 901 CD1 ILE A 56 108.487 -5.759 -5.377 1.00 0.00 C ATOM 0 H ILE A 56 111.921 -3.136 -8.429 1.00 0.00 H new ATOM 0 HA ILE A 56 110.626 -2.194 -5.912 1.00 0.00 H new ATOM 0 HB ILE A 56 108.880 -3.532 -6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.551 -5.246 -4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.410 -4.010 -4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.328 -5.801 -7.778 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.264 -4.574 -8.665 1.00 0.00 H new ATOM 0 HG23 ILE A 56 111.063 -5.590 -7.441 1.00 0.00 H new ATOM 0 HD11 ILE A 56 108.361 -6.257 -4.416 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.564 -5.245 -5.643 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.723 -6.500 -6.141 1.00 0.00 H new ATOM 913 N SER A 57 112.652 -3.155 -4.815 1.00 0.00 N ATOM 914 CA SER A 57 113.860 -3.739 -4.173 1.00 0.00 C ATOM 915 C SER A 57 113.584 -4.114 -2.718 1.00 0.00 C ATOM 916 O SER A 57 113.197 -3.288 -1.915 1.00 0.00 O ATOM 917 CB SER A 57 114.973 -2.702 -4.189 1.00 0.00 C ATOM 918 OG SER A 57 116.172 -3.291 -3.701 1.00 0.00 O ATOM 0 H SER A 57 112.261 -2.339 -4.344 1.00 0.00 H new ATOM 0 HA SER A 57 114.143 -4.635 -4.725 1.00 0.00 H new ATOM 0 HB2 SER A 57 115.124 -2.329 -5.202 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.697 -1.847 -3.572 1.00 0.00 H new ATOM 0 HG SER A 57 116.062 -4.264 -3.651 1.00 0.00 H new ATOM 924 N ARG A 58 113.822 -5.345 -2.364 1.00 0.00 N ATOM 925 CA ARG A 58 113.620 -5.761 -0.950 1.00 0.00 C ATOM 926 C ARG A 58 114.913 -5.471 -0.182 1.00 0.00 C ATOM 927 O ARG A 58 115.920 -6.124 -0.379 1.00 0.00 O ATOM 928 CB ARG A 58 113.308 -7.258 -0.893 1.00 0.00 C ATOM 929 CG ARG A 58 112.424 -7.637 -2.081 1.00 0.00 C ATOM 930 CD ARG A 58 111.432 -8.720 -1.655 1.00 0.00 C ATOM 931 NE ARG A 58 111.699 -9.968 -2.424 1.00 0.00 N ATOM 932 CZ ARG A 58 112.905 -10.465 -2.461 1.00 0.00 C ATOM 933 NH1 ARG A 58 113.638 -10.478 -1.381 1.00 0.00 N ATOM 934 NH2 ARG A 58 113.377 -10.951 -3.576 1.00 0.00 N ATOM 0 H ARG A 58 114.147 -6.080 -2.992 1.00 0.00 H new ATOM 0 HA ARG A 58 112.787 -5.214 -0.508 1.00 0.00 H new ATOM 0 HB2 ARG A 58 114.233 -7.835 -0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 58 112.803 -7.500 0.042 1.00 0.00 H new ATOM 0 HG2 ARG A 58 111.888 -6.760 -2.443 1.00 0.00 H new ATOM 0 HG3 ARG A 58 113.039 -7.997 -2.905 1.00 0.00 H new ATOM 0 HD2 ARG A 58 111.524 -8.912 -0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 58 110.411 -8.383 -1.832 1.00 0.00 H new ATOM 0 HE ARG A 58 110.940 -10.433 -2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 58 113.268 -10.100 -0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 58 114.581 -10.866 -1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 58 112.803 -10.943 -4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 58 114.320 -11.339 -3.604 1.00 0.00 H new ATOM 948 N HIS A 59 114.907 -4.482 0.671 1.00 0.00 N ATOM 949 CA HIS A 59 116.149 -4.142 1.425 1.00 0.00 C ATOM 950 C HIS A 59 116.034 -4.612 2.876 1.00 0.00 C ATOM 951 O HIS A 59 115.042 -5.185 3.281 1.00 0.00 O ATOM 952 CB HIS A 59 116.355 -2.627 1.407 1.00 0.00 C ATOM 953 CG HIS A 59 116.533 -2.157 -0.011 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.785 -1.975 -0.576 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.628 -1.822 -0.987 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.601 -1.548 -1.839 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.305 -1.438 -2.141 1.00 0.00 N ATOM 0 H HIS A 59 114.098 -3.896 0.878 1.00 0.00 H new ATOM 0 HA HIS A 59 116.995 -4.641 0.952 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.499 -2.128 1.861 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.230 -2.362 2.001 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.554 -1.852 -0.876 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.404 -1.322 -2.525 1.00 0.00 H new ATOM 0 HE2 HIS A 59 115.899 -1.137 -3.027 1.00 0.00 H new ATOM 965 N ASN A 60 117.048 -4.366 3.663 1.00 0.00 N ATOM 966 CA ASN A 60 117.011 -4.786 5.091 1.00 0.00 C ATOM 967 C ASN A 60 117.113 -3.548 5.984 1.00 0.00 C ATOM 968 O ASN A 60 117.802 -2.599 5.669 1.00 0.00 O ATOM 969 CB ASN A 60 118.187 -5.721 5.384 1.00 0.00 C ATOM 970 CG ASN A 60 118.339 -6.730 4.246 1.00 0.00 C ATOM 971 OD1 ASN A 60 118.882 -6.413 3.206 1.00 0.00 O ATOM 972 ND2 ASN A 60 117.879 -7.942 4.400 1.00 0.00 N ATOM 0 H ASN A 60 117.903 -3.890 3.375 1.00 0.00 H new ATOM 0 HA ASN A 60 116.076 -5.309 5.291 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.104 -5.143 5.495 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.023 -6.243 6.327 1.00 0.00 H new ATOM 0 HD21 ASN A 60 117.975 -8.624 3.647 1.00 0.00 H new ATOM 0 HD22 ASN A 60 117.423 -8.207 5.273 1.00 0.00 H new ATOM 979 N SER A 61 116.434 -3.551 7.098 1.00 0.00 N ATOM 980 CA SER A 61 116.494 -2.373 8.008 1.00 0.00 C ATOM 981 C SER A 61 117.094 -2.793 9.352 1.00 0.00 C ATOM 982 O SER A 61 118.290 -2.726 9.556 1.00 0.00 O ATOM 983 CB SER A 61 115.083 -1.824 8.227 1.00 0.00 C ATOM 984 OG SER A 61 114.132 -2.805 7.832 1.00 0.00 O ATOM 0 H SER A 61 115.841 -4.317 7.417 1.00 0.00 H new ATOM 0 HA SER A 61 117.118 -1.600 7.559 1.00 0.00 H new ATOM 0 HB2 SER A 61 114.940 -1.564 9.276 1.00 0.00 H new ATOM 0 HB3 SER A 61 114.942 -0.910 7.650 1.00 0.00 H new ATOM 0 HG SER A 61 113.234 -2.516 8.099 1.00 0.00 H new ATOM 990 N TYR A 62 116.275 -3.226 10.272 1.00 0.00 N ATOM 991 CA TYR A 62 116.805 -3.648 11.599 1.00 0.00 C ATOM 992 C TYR A 62 116.222 -5.010 11.979 1.00 0.00 C ATOM 993 O TYR A 62 116.932 -5.906 12.391 1.00 0.00 O ATOM 994 CB TYR A 62 116.408 -2.614 12.655 1.00 0.00 C ATOM 995 CG TYR A 62 116.946 -1.260 12.259 1.00 0.00 C ATOM 996 CD1 TYR A 62 116.238 -0.464 11.353 1.00 0.00 C ATOM 997 CD2 TYR A 62 118.153 -0.801 12.800 1.00 0.00 C ATOM 998 CE1 TYR A 62 116.736 0.790 10.986 1.00 0.00 C ATOM 999 CE2 TYR A 62 118.651 0.453 12.434 1.00 0.00 C ATOM 1000 CZ TYR A 62 117.943 1.250 11.526 1.00 0.00 C ATOM 1001 OH TYR A 62 118.434 2.488 11.164 1.00 0.00 O ATOM 0 H TYR A 62 115.264 -3.305 10.162 1.00 0.00 H new ATOM 0 HA TYR A 62 117.891 -3.723 11.547 1.00 0.00 H new ATOM 0 HB2 TYR A 62 115.323 -2.573 12.749 1.00 0.00 H new ATOM 0 HB3 TYR A 62 116.802 -2.903 13.629 1.00 0.00 H new ATOM 0 HD1 TYR A 62 115.306 -0.818 10.937 1.00 0.00 H new ATOM 0 HD2 TYR A 62 118.699 -1.416 13.500 1.00 0.00 H new ATOM 0 HE1 TYR A 62 116.189 1.404 10.286 1.00 0.00 H new ATOM 0 HE2 TYR A 62 119.582 0.807 12.852 1.00 0.00 H new ATOM 0 HH TYR A 62 118.406 2.579 10.189 1.00 0.00 H new ATOM 1011 N ASN A 63 114.933 -5.174 11.849 1.00 0.00 N ATOM 1012 CA ASN A 63 114.309 -6.480 12.210 1.00 0.00 C ATOM 1013 C ASN A 63 113.467 -6.990 11.037 1.00 0.00 C ATOM 1014 O ASN A 63 112.951 -8.090 11.066 1.00 0.00 O ATOM 1015 CB ASN A 63 113.413 -6.297 13.438 1.00 0.00 C ATOM 1016 CG ASN A 63 113.993 -5.204 14.339 1.00 0.00 C ATOM 1017 OD1 ASN A 63 114.941 -5.436 15.063 1.00 0.00 O ATOM 1018 ND2 ASN A 63 113.460 -4.013 14.323 1.00 0.00 N ATOM 0 H ASN A 63 114.286 -4.462 11.509 1.00 0.00 H new ATOM 0 HA ASN A 63 115.092 -7.204 12.435 1.00 0.00 H new ATOM 0 HB2 ASN A 63 112.403 -6.028 13.127 1.00 0.00 H new ATOM 0 HB3 ASN A 63 113.338 -7.235 13.989 1.00 0.00 H new ATOM 0 HD21 ASN A 63 113.839 -3.277 14.918 1.00 0.00 H new ATOM 0 HD22 ASN A 63 112.664 -3.818 13.715 1.00 0.00 H new ATOM 1025 N HIS A 64 113.324 -6.203 10.007 1.00 0.00 N ATOM 1026 CA HIS A 64 112.514 -6.651 8.839 1.00 0.00 C ATOM 1027 C HIS A 64 113.119 -6.091 7.550 1.00 0.00 C ATOM 1028 O HIS A 64 114.274 -5.715 7.510 1.00 0.00 O ATOM 1029 CB HIS A 64 111.077 -6.159 9.002 1.00 0.00 C ATOM 1030 CG HIS A 64 110.530 -6.660 10.310 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.390 -7.926 10.821 1.00 0.00 N flip ATOM 1032 CD2 HIS A 64 110.046 -5.804 11.285 1.00 0.00 C flip ATOM 1033 CE1 HIS A 64 109.828 -7.861 12.091 1.00 0.00 C flip ATOM 1034 NE2 HIS A 64 109.641 -6.561 12.322 1.00 0.00 N flip ATOM 0 H HIS A 64 113.731 -5.272 9.923 1.00 0.00 H new ATOM 0 HA HIS A 64 112.516 -7.740 8.786 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.047 -5.070 8.975 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.462 -6.516 8.176 1.00 0.00 H new ATOM 0 HD1 HIS A 64 110.658 -8.785 10.341 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.002 -4.727 11.225 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.594 -8.685 12.748 1.00 0.00 H new ATOM 1042 N ASN A 65 112.357 -6.042 6.491 1.00 0.00 N ATOM 1043 CA ASN A 65 112.907 -5.519 5.208 1.00 0.00 C ATOM 1044 C ASN A 65 111.988 -4.434 4.639 1.00 0.00 C ATOM 1045 O ASN A 65 110.837 -4.315 5.018 1.00 0.00 O ATOM 1046 CB ASN A 65 113.021 -6.664 4.204 1.00 0.00 C ATOM 1047 CG ASN A 65 114.235 -7.523 4.558 1.00 0.00 C ATOM 1048 OD1 ASN A 65 115.067 -7.124 5.348 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.372 -8.694 4.007 1.00 0.00 N ATOM 0 H ASN A 65 111.382 -6.340 6.459 1.00 0.00 H new ATOM 0 HA ASN A 65 113.891 -5.088 5.393 1.00 0.00 H new ATOM 0 HB2 ASN A 65 112.115 -7.269 4.220 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.122 -6.269 3.193 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.177 -9.276 4.239 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.674 -9.030 3.343 1.00 0.00 H new ATOM 1056 N ILE A 66 112.492 -3.646 3.725 1.00 0.00 N ATOM 1057 CA ILE A 66 111.659 -2.569 3.117 1.00 0.00 C ATOM 1058 C ILE A 66 111.345 -2.931 1.665 1.00 0.00 C ATOM 1059 O ILE A 66 112.156 -2.737 0.781 1.00 0.00 O ATOM 1060 CB ILE A 66 112.429 -1.234 3.164 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.213 -0.574 4.528 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.935 -0.281 2.058 1.00 0.00 C ATOM 1063 CD1 ILE A 66 112.918 -1.394 5.610 1.00 0.00 C ATOM 0 H ILE A 66 113.448 -3.703 3.373 1.00 0.00 H new ATOM 0 HA ILE A 66 110.728 -2.467 3.675 1.00 0.00 H new ATOM 0 HB ILE A 66 113.488 -1.436 3.006 1.00 0.00 H new ATOM 0 HG12 ILE A 66 112.602 0.444 4.517 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.147 -0.505 4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.491 0.655 2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 66 112.091 -0.743 1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.873 -0.080 2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 66 112.764 -0.924 6.581 1.00 0.00 H new ATOM 0 HD12 ILE A 66 112.508 -2.404 5.627 1.00 0.00 H new ATOM 0 HD13 ILE A 66 113.985 -1.440 5.394 1.00 0.00 H new ATOM 1075 N LEU A 67 110.170 -3.428 1.400 1.00 0.00 N ATOM 1076 CA LEU A 67 109.822 -3.761 -0.004 1.00 0.00 C ATOM 1077 C LEU A 67 109.484 -2.457 -0.710 1.00 0.00 C ATOM 1078 O LEU A 67 108.344 -2.043 -0.791 1.00 0.00 O ATOM 1079 CB LEU A 67 108.616 -4.704 -0.041 1.00 0.00 C ATOM 1080 CG LEU A 67 108.334 -5.117 -1.486 1.00 0.00 C ATOM 1081 CD1 LEU A 67 108.819 -6.551 -1.714 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.829 -5.042 -1.753 1.00 0.00 C ATOM 0 H LEU A 67 109.442 -3.616 2.090 1.00 0.00 H new ATOM 0 HA LEU A 67 110.656 -4.262 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.812 -5.586 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.742 -4.210 0.384 1.00 0.00 H new ATOM 0 HG LEU A 67 108.860 -4.444 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.617 -6.844 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 67 109.891 -6.607 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 67 108.295 -7.225 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.627 -5.336 -2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.305 -5.715 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.481 -4.021 -1.592 1.00 0.00 H new ATOM 1094 N PHE A 68 110.490 -1.804 -1.204 1.00 0.00 N ATOM 1095 CA PHE A 68 110.302 -0.509 -1.900 1.00 0.00 C ATOM 1096 C PHE A 68 109.774 -0.787 -3.303 1.00 0.00 C ATOM 1097 O PHE A 68 110.402 -1.472 -4.072 1.00 0.00 O ATOM 1098 CB PHE A 68 111.676 0.157 -1.992 1.00 0.00 C ATOM 1099 CG PHE A 68 111.565 1.654 -1.891 1.00 0.00 C ATOM 1100 CD1 PHE A 68 110.648 2.252 -1.021 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.400 2.447 -2.676 1.00 0.00 C ATOM 1102 CE1 PHE A 68 110.569 3.644 -0.941 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.326 3.836 -2.601 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.410 4.440 -1.732 1.00 0.00 C ATOM 0 H PHE A 68 111.458 -2.121 -1.153 1.00 0.00 H new ATOM 0 HA PHE A 68 109.599 0.134 -1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.318 -0.217 -1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.151 -0.112 -2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.002 1.638 -0.412 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.108 1.982 -3.346 1.00 0.00 H new ATOM 0 HE1 PHE A 68 109.861 4.107 -0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 68 112.974 4.446 -3.212 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.351 5.517 -1.671 1.00 0.00 H new ATOM 1114 N PHE A 69 108.620 -0.281 -3.648 1.00 0.00 N ATOM 1115 CA PHE A 69 108.088 -0.558 -5.013 1.00 0.00 C ATOM 1116 C PHE A 69 107.471 0.703 -5.616 1.00 0.00 C ATOM 1117 O PHE A 69 106.799 1.470 -4.951 1.00 0.00 O ATOM 1118 CB PHE A 69 107.037 -1.675 -4.947 1.00 0.00 C ATOM 1119 CG PHE A 69 105.806 -1.198 -4.210 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.892 -0.840 -2.860 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.576 -1.122 -4.878 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.749 -0.405 -2.178 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.434 -0.688 -4.196 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.521 -0.330 -2.847 1.00 0.00 C ATOM 0 H PHE A 69 108.031 0.303 -3.054 1.00 0.00 H new ATOM 0 HA PHE A 69 108.913 -0.878 -5.649 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.766 -1.988 -5.955 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.455 -2.547 -4.444 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.839 -0.899 -2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.510 -1.399 -5.920 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.814 -0.127 -1.136 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.486 -0.630 -4.711 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.640 0.005 -2.320 1.00 0.00 H new ATOM 1134 N LEU A 70 107.698 0.913 -6.886 1.00 0.00 N ATOM 1135 CA LEU A 70 107.139 2.108 -7.572 1.00 0.00 C ATOM 1136 C LEU A 70 105.872 1.701 -8.320 1.00 0.00 C ATOM 1137 O LEU A 70 105.526 0.538 -8.385 1.00 0.00 O ATOM 1138 CB LEU A 70 108.162 2.643 -8.575 1.00 0.00 C ATOM 1139 CG LEU A 70 108.526 4.084 -8.227 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.188 4.125 -6.848 1.00 0.00 C ATOM 1141 CD2 LEU A 70 109.495 4.623 -9.283 1.00 0.00 C ATOM 0 H LEU A 70 108.254 0.299 -7.481 1.00 0.00 H new ATOM 0 HA LEU A 70 106.909 2.880 -6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 70 109.056 2.020 -8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.754 2.595 -9.585 1.00 0.00 H new ATOM 0 HG LEU A 70 107.626 4.699 -8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.448 5.154 -6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 70 108.497 3.735 -6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 70 110.091 3.515 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.760 5.652 -9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 70 110.396 4.010 -9.297 1.00 0.00 H new ATOM 0 HD23 LEU A 70 109.019 4.591 -10.263 1.00 0.00 H new ATOM 1153 N THR A 71 105.175 2.643 -8.886 1.00 0.00 N ATOM 1154 CA THR A 71 103.935 2.296 -9.624 1.00 0.00 C ATOM 1155 C THR A 71 103.713 3.293 -10.769 1.00 0.00 C ATOM 1156 O THR A 71 104.120 4.435 -10.682 1.00 0.00 O ATOM 1157 CB THR A 71 102.758 2.350 -8.657 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.710 3.638 -8.063 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.938 1.290 -7.567 1.00 0.00 C ATOM 0 H THR A 71 105.410 3.635 -8.869 1.00 0.00 H new ATOM 0 HA THR A 71 104.024 1.294 -10.044 1.00 0.00 H new ATOM 0 HB THR A 71 101.830 2.155 -9.195 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.782 3.863 -7.844 1.00 0.00 H new ATOM 0 HG21 THR A 71 102.095 1.331 -6.877 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.985 0.302 -8.025 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.862 1.482 -7.022 1.00 0.00 H new ATOM 1167 N PRO A 72 103.073 2.824 -11.811 1.00 0.00 N ATOM 1168 CA PRO A 72 102.778 3.639 -13.004 1.00 0.00 C ATOM 1169 C PRO A 72 101.611 4.596 -12.740 1.00 0.00 C ATOM 1170 O PRO A 72 101.806 5.716 -12.312 1.00 0.00 O ATOM 1171 CB PRO A 72 102.408 2.601 -14.066 1.00 0.00 C ATOM 1172 CG PRO A 72 101.967 1.332 -13.301 1.00 0.00 C ATOM 1173 CD PRO A 72 102.587 1.432 -11.895 1.00 0.00 C ATOM 0 HA PRO A 72 103.615 4.270 -13.303 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.605 2.968 -14.705 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.258 2.388 -14.714 1.00 0.00 H new ATOM 0 HG2 PRO A 72 100.880 1.272 -13.242 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.309 0.432 -13.813 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.851 1.220 -11.119 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.400 0.718 -11.767 1.00 0.00 H new ATOM 1181 N HIS A 73 100.401 4.175 -13.002 1.00 0.00 N ATOM 1182 CA HIS A 73 99.243 5.083 -12.771 1.00 0.00 C ATOM 1183 C HIS A 73 99.327 5.663 -11.356 1.00 0.00 C ATOM 1184 O HIS A 73 100.220 5.342 -10.601 1.00 0.00 O ATOM 1185 CB HIS A 73 97.924 4.322 -12.993 1.00 0.00 C ATOM 1186 CG HIS A 73 97.526 3.522 -11.776 1.00 0.00 C ATOM 1187 ND1 HIS A 73 98.295 2.479 -11.278 1.00 0.00 N ATOM 1188 CD2 HIS A 73 96.406 3.572 -10.982 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.628 1.948 -10.230 1.00 0.00 C ATOM 1190 NE2 HIS A 73 96.472 2.577 -10.011 1.00 0.00 N ATOM 0 H HIS A 73 100.168 3.250 -13.363 1.00 0.00 H new ATOM 0 HA HIS A 73 99.271 5.909 -13.482 1.00 0.00 H new ATOM 0 HB2 HIS A 73 97.132 5.030 -13.237 1.00 0.00 H new ATOM 0 HB3 HIS A 73 98.029 3.654 -13.848 1.00 0.00 H new ATOM 0 HD2 HIS A 73 95.596 4.277 -11.094 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.987 1.116 -9.642 1.00 0.00 H new ATOM 0 HE2 HIS A 73 95.784 2.372 -9.287 1.00 0.00 H new ATOM 1198 N ARG A 74 98.430 6.541 -10.999 1.00 0.00 N ATOM 1199 CA ARG A 74 98.494 7.156 -9.641 1.00 0.00 C ATOM 1200 C ARG A 74 97.489 6.478 -8.709 1.00 0.00 C ATOM 1201 O ARG A 74 96.458 5.995 -9.132 1.00 0.00 O ATOM 1202 CB ARG A 74 98.168 8.647 -9.743 1.00 0.00 C ATOM 1203 CG ARG A 74 99.222 9.343 -10.605 1.00 0.00 C ATOM 1204 CD ARG A 74 100.178 10.131 -9.708 1.00 0.00 C ATOM 1205 NE ARG A 74 101.522 10.193 -10.347 1.00 0.00 N ATOM 1206 CZ ARG A 74 102.046 11.349 -10.653 1.00 0.00 C ATOM 1207 NH1 ARG A 74 102.734 12.009 -9.763 1.00 0.00 N ATOM 1208 NH2 ARG A 74 101.885 11.843 -11.850 1.00 0.00 N ATOM 0 H ARG A 74 97.658 6.859 -11.585 1.00 0.00 H new ATOM 0 HA ARG A 74 99.498 7.025 -9.237 1.00 0.00 H new ATOM 0 HB2 ARG A 74 97.178 8.785 -10.179 1.00 0.00 H new ATOM 0 HB3 ARG A 74 98.144 9.093 -8.749 1.00 0.00 H new ATOM 0 HG2 ARG A 74 99.776 8.606 -11.186 1.00 0.00 H new ATOM 0 HG3 ARG A 74 98.740 10.013 -11.317 1.00 0.00 H new ATOM 0 HD2 ARG A 74 99.794 11.138 -9.546 1.00 0.00 H new ATOM 0 HD3 ARG A 74 100.250 9.656 -8.730 1.00 0.00 H new ATOM 0 HE ARG A 74 102.033 9.333 -10.545 1.00 0.00 H new ATOM 0 HH11 ARG A 74 102.863 11.622 -8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 74 103.143 12.912 -10.002 1.00 0.00 H new ATOM 0 HH21 ARG A 74 101.349 11.326 -12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 74 102.295 12.746 -12.088 1.00 0.00 H new ATOM 1222 N HIS A 75 97.787 6.443 -7.437 1.00 0.00 N ATOM 1223 CA HIS A 75 96.854 5.801 -6.466 1.00 0.00 C ATOM 1224 C HIS A 75 96.975 6.497 -5.114 1.00 0.00 C ATOM 1225 O HIS A 75 98.033 6.961 -4.737 1.00 0.00 O ATOM 1226 CB HIS A 75 97.201 4.317 -6.277 1.00 0.00 C ATOM 1227 CG HIS A 75 98.385 3.935 -7.120 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.337 3.922 -8.502 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.652 3.530 -6.788 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.539 3.515 -8.945 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.373 3.264 -7.940 1.00 0.00 N ATOM 0 H HIS A 75 98.637 6.832 -7.029 1.00 0.00 H new ATOM 0 HA HIS A 75 95.840 5.888 -6.857 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.418 4.120 -5.227 1.00 0.00 H new ATOM 0 HB3 HIS A 75 96.343 3.701 -6.546 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.536 4.175 -9.080 1.00 0.00 H new ATOM 0 HD2 HIS A 75 100.030 3.433 -5.781 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.796 3.405 -9.988 1.00 0.00 H new ATOM 1239 N ARG A 76 95.908 6.553 -4.369 1.00 0.00 N ATOM 1240 CA ARG A 76 95.978 7.196 -3.032 1.00 0.00 C ATOM 1241 C ARG A 76 96.627 6.211 -2.061 1.00 0.00 C ATOM 1242 O ARG A 76 96.359 5.026 -2.098 1.00 0.00 O ATOM 1243 CB ARG A 76 94.567 7.539 -2.549 1.00 0.00 C ATOM 1244 CG ARG A 76 94.082 8.810 -3.248 1.00 0.00 C ATOM 1245 CD ARG A 76 93.418 9.732 -2.225 1.00 0.00 C ATOM 1246 NE ARG A 76 92.099 10.185 -2.748 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.323 10.927 -2.005 1.00 0.00 C ATOM 1248 NH1 ARG A 76 91.021 10.547 -0.794 1.00 0.00 N ATOM 1249 NH2 ARG A 76 90.849 12.049 -2.474 1.00 0.00 N ATOM 0 H ARG A 76 94.994 6.182 -4.628 1.00 0.00 H new ATOM 0 HA ARG A 76 96.563 8.114 -3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 76 93.888 6.713 -2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.566 7.683 -1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 76 94.921 9.320 -3.722 1.00 0.00 H new ATOM 0 HG3 ARG A 76 93.375 8.556 -4.038 1.00 0.00 H new ATOM 0 HD2 ARG A 76 93.285 9.207 -1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 76 94.057 10.592 -2.026 1.00 0.00 H new ATOM 0 HE ARG A 76 91.802 9.916 -3.686 1.00 0.00 H new ATOM 0 HH11 ARG A 76 91.391 9.670 -0.427 1.00 0.00 H new ATOM 0 HH12 ARG A 76 90.415 11.127 -0.214 1.00 0.00 H new ATOM 0 HH21 ARG A 76 91.085 12.346 -3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 76 90.243 12.629 -1.894 1.00 0.00 H new ATOM 1263 N VAL A 77 97.481 6.678 -1.197 1.00 0.00 N ATOM 1264 CA VAL A 77 98.137 5.747 -0.240 1.00 0.00 C ATOM 1265 C VAL A 77 97.063 4.935 0.489 1.00 0.00 C ATOM 1266 O VAL A 77 97.336 3.889 1.037 1.00 0.00 O ATOM 1267 CB VAL A 77 98.980 6.545 0.761 1.00 0.00 C ATOM 1268 CG1 VAL A 77 99.247 5.706 2.013 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.314 6.907 0.104 1.00 0.00 C ATOM 0 H VAL A 77 97.752 7.658 -1.112 1.00 0.00 H new ATOM 0 HA VAL A 77 98.794 5.064 -0.779 1.00 0.00 H new ATOM 0 HB VAL A 77 98.442 7.448 1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.847 6.283 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 77 98.299 5.437 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.785 4.800 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 77 100.923 7.475 0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.840 5.995 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.130 7.509 -0.786 1.00 0.00 H new ATOM 1279 N SER A 78 95.844 5.400 0.492 1.00 0.00 N ATOM 1280 CA SER A 78 94.763 4.637 1.177 1.00 0.00 C ATOM 1281 C SER A 78 94.454 3.376 0.369 1.00 0.00 C ATOM 1282 O SER A 78 94.296 2.301 0.912 1.00 0.00 O ATOM 1283 CB SER A 78 93.508 5.505 1.277 1.00 0.00 C ATOM 1284 OG SER A 78 93.398 6.306 0.107 1.00 0.00 O ATOM 0 H SER A 78 95.551 6.272 0.052 1.00 0.00 H new ATOM 0 HA SER A 78 95.086 4.360 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.624 4.876 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 78 93.559 6.139 2.162 1.00 0.00 H new ATOM 0 HG SER A 78 92.594 6.863 0.166 1.00 0.00 H new ATOM 1290 N ALA A 79 94.375 3.497 -0.930 1.00 0.00 N ATOM 1291 CA ALA A 79 94.088 2.302 -1.774 1.00 0.00 C ATOM 1292 C ALA A 79 95.278 1.344 -1.696 1.00 0.00 C ATOM 1293 O ALA A 79 95.147 0.206 -1.292 1.00 0.00 O ATOM 1294 CB ALA A 79 93.876 2.740 -3.226 1.00 0.00 C ATOM 0 H ALA A 79 94.497 4.371 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 79 93.188 1.803 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.666 1.866 -3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.035 3.431 -3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.776 3.235 -3.592 1.00 0.00 H new ATOM 1300 N ILE A 80 96.442 1.802 -2.068 1.00 0.00 N ATOM 1301 CA ILE A 80 97.646 0.929 -2.004 1.00 0.00 C ATOM 1302 C ILE A 80 97.815 0.437 -0.565 1.00 0.00 C ATOM 1303 O ILE A 80 98.361 -0.620 -0.315 1.00 0.00 O ATOM 1304 CB ILE A 80 98.883 1.733 -2.417 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.770 2.128 -3.902 1.00 0.00 C ATOM 1306 CG2 ILE A 80 100.142 0.893 -2.183 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.315 1.010 -4.800 1.00 0.00 C ATOM 0 H ILE A 80 96.610 2.746 -2.414 1.00 0.00 H new ATOM 0 HA ILE A 80 97.529 0.081 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 80 98.948 2.640 -1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.728 2.328 -4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.324 3.049 -4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 80 101.021 1.466 -2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 80 100.215 0.633 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 80 100.087 -0.019 -2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 80 99.227 1.307 -5.845 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.363 0.830 -4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.743 0.097 -4.633 1.00 0.00 H new ATOM 1319 N ASN A 81 97.340 1.199 0.384 1.00 0.00 N ATOM 1320 CA ASN A 81 97.458 0.786 1.810 1.00 0.00 C ATOM 1321 C ASN A 81 96.468 -0.344 2.085 1.00 0.00 C ATOM 1322 O ASN A 81 96.718 -1.222 2.884 1.00 0.00 O ATOM 1323 CB ASN A 81 97.131 1.975 2.717 1.00 0.00 C ATOM 1324 CG ASN A 81 96.973 1.489 4.159 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.905 0.977 4.745 1.00 0.00 O ATOM 1326 ND2 ASN A 81 95.824 1.631 4.758 1.00 0.00 N ATOM 0 H ASN A 81 96.874 2.093 0.231 1.00 0.00 H new ATOM 0 HA ASN A 81 98.474 0.447 2.010 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.925 2.720 2.658 1.00 0.00 H new ATOM 0 HB3 ASN A 81 96.214 2.459 2.383 1.00 0.00 H new ATOM 0 HD21 ASN A 81 95.707 1.312 5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 81 95.042 2.061 4.265 1.00 0.00 H new ATOM 1333 N ASN A 82 95.343 -0.327 1.425 1.00 0.00 N ATOM 1334 CA ASN A 82 94.335 -1.399 1.641 1.00 0.00 C ATOM 1335 C ASN A 82 94.908 -2.731 1.157 1.00 0.00 C ATOM 1336 O ASN A 82 94.616 -3.777 1.701 1.00 0.00 O ATOM 1337 CB ASN A 82 93.064 -1.073 0.855 1.00 0.00 C ATOM 1338 CG ASN A 82 91.940 -0.711 1.828 1.00 0.00 C ATOM 1339 OD1 ASN A 82 92.159 -0.621 3.020 1.00 0.00 O ATOM 1340 ND2 ASN A 82 90.737 -0.500 1.367 1.00 0.00 N ATOM 0 H ASN A 82 95.079 0.385 0.744 1.00 0.00 H new ATOM 0 HA ASN A 82 94.094 -1.467 2.702 1.00 0.00 H new ATOM 0 HB2 ASN A 82 93.249 -0.244 0.172 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.771 -1.928 0.246 1.00 0.00 H new ATOM 0 HD21 ASN A 82 89.980 -0.259 2.007 1.00 0.00 H new ATOM 0 HD22 ASN A 82 90.554 -0.576 0.366 1.00 0.00 H new ATOM 1347 N TYR A 83 95.726 -2.701 0.139 1.00 0.00 N ATOM 1348 CA TYR A 83 96.319 -3.970 -0.371 1.00 0.00 C ATOM 1349 C TYR A 83 97.377 -4.465 0.618 1.00 0.00 C ATOM 1350 O TYR A 83 97.281 -5.552 1.151 1.00 0.00 O ATOM 1351 CB TYR A 83 96.966 -3.725 -1.737 1.00 0.00 C ATOM 1352 CG TYR A 83 97.833 -4.907 -2.111 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.556 -6.176 -1.587 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.916 -4.733 -2.982 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.360 -7.267 -1.933 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.719 -5.823 -3.328 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.441 -7.091 -2.803 1.00 0.00 C ATOM 1358 OH TYR A 83 100.234 -8.168 -3.143 1.00 0.00 O ATOM 0 H TYR A 83 96.008 -1.857 -0.359 1.00 0.00 H new ATOM 0 HA TYR A 83 95.537 -4.722 -0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.196 -3.573 -2.493 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.567 -2.816 -1.708 1.00 0.00 H new ATOM 0 HD1 TYR A 83 96.721 -6.312 -0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 83 99.131 -3.755 -3.387 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.146 -8.245 -1.528 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.554 -5.688 -4.000 1.00 0.00 H new ATOM 0 HH TYR A 83 99.686 -8.853 -3.580 1.00 0.00 H new ATOM 1368 N ALA A 84 98.389 -3.677 0.862 1.00 0.00 N ATOM 1369 CA ALA A 84 99.451 -4.107 1.813 1.00 0.00 C ATOM 1370 C ALA A 84 98.825 -4.407 3.177 1.00 0.00 C ATOM 1371 O ALA A 84 99.366 -5.154 3.967 1.00 0.00 O ATOM 1372 CB ALA A 84 100.487 -2.991 1.960 1.00 0.00 C ATOM 0 H ALA A 84 98.525 -2.756 0.445 1.00 0.00 H new ATOM 0 HA ALA A 84 99.937 -5.005 1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.264 -3.306 2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.934 -2.779 0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 84 100.002 -2.092 2.340 1.00 0.00 H new ATOM 1378 N GLN A 85 97.690 -3.831 3.459 1.00 0.00 N ATOM 1379 CA GLN A 85 97.032 -4.082 4.773 1.00 0.00 C ATOM 1380 C GLN A 85 96.393 -5.472 4.769 1.00 0.00 C ATOM 1381 O GLN A 85 96.424 -6.181 5.756 1.00 0.00 O ATOM 1382 CB GLN A 85 95.952 -3.025 5.015 1.00 0.00 C ATOM 1383 CG GLN A 85 96.521 -1.906 5.889 1.00 0.00 C ATOM 1384 CD GLN A 85 96.747 -2.415 7.318 1.00 0.00 C ATOM 1385 OE1 GLN A 85 96.484 -3.661 7.616 1.00 0.00 O flip ATOM 1386 NE2 GLN A 85 97.171 -1.668 8.177 1.00 0.00 N flip ATOM 0 H GLN A 85 97.189 -3.197 2.837 1.00 0.00 H new ATOM 0 HA GLN A 85 97.777 -4.028 5.566 1.00 0.00 H new ATOM 0 HB2 GLN A 85 95.606 -2.619 4.065 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.088 -3.477 5.501 1.00 0.00 H new ATOM 0 HG2 GLN A 85 97.461 -1.549 5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 85 95.835 -1.059 5.901 1.00 0.00 H new ATOM 0 HE21 GLN A 85 97.378 -0.695 7.950 1.00 0.00 H new ATOM 0 HE22 GLN A 85 97.320 -2.014 9.125 1.00 0.00 H new ATOM 1395 N LYS A 86 95.815 -5.869 3.669 1.00 0.00 N ATOM 1396 CA LYS A 86 95.179 -7.215 3.609 1.00 0.00 C ATOM 1397 C LYS A 86 96.240 -8.284 3.871 1.00 0.00 C ATOM 1398 O LYS A 86 95.932 -9.429 4.138 1.00 0.00 O ATOM 1399 CB LYS A 86 94.570 -7.431 2.222 1.00 0.00 C ATOM 1400 CG LYS A 86 93.045 -7.358 2.314 1.00 0.00 C ATOM 1401 CD LYS A 86 92.611 -5.898 2.459 1.00 0.00 C ATOM 1402 CE LYS A 86 92.052 -5.398 1.125 1.00 0.00 C ATOM 1403 NZ LYS A 86 90.881 -4.511 1.380 1.00 0.00 N ATOM 0 H LYS A 86 95.756 -5.321 2.811 1.00 0.00 H new ATOM 0 HA LYS A 86 94.395 -7.283 4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 86 94.939 -6.674 1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 86 94.875 -8.400 1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 86 92.595 -7.795 1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.693 -7.939 3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.855 -5.808 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 86 93.458 -5.284 2.764 1.00 0.00 H new ATOM 0 HE2 LYS A 86 92.821 -4.854 0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.754 -6.242 0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 90.500 -4.170 0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 90.146 -5.044 1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 91.180 -3.699 1.957 1.00 0.00 H new ATOM 1417 N LEU A 87 97.488 -7.916 3.793 1.00 0.00 N ATOM 1418 CA LEU A 87 98.576 -8.904 4.033 1.00 0.00 C ATOM 1419 C LEU A 87 99.014 -8.838 5.499 1.00 0.00 C ATOM 1420 O LEU A 87 100.189 -8.829 5.805 1.00 0.00 O ATOM 1421 CB LEU A 87 99.764 -8.574 3.128 1.00 0.00 C ATOM 1422 CG LEU A 87 99.286 -8.466 1.679 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.998 -7.299 0.994 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.605 -9.764 0.938 1.00 0.00 C ATOM 0 H LEU A 87 97.802 -6.971 3.573 1.00 0.00 H new ATOM 0 HA LEU A 87 98.214 -9.908 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.224 -7.637 3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.527 -9.348 3.214 1.00 0.00 H new ATOM 0 HG LEU A 87 98.210 -8.295 1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.658 -7.221 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.770 -6.373 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 87 101.074 -7.470 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.264 -9.687 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.681 -9.936 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 87 99.097 -10.596 1.426 1.00 0.00 H new ATOM 1436 N CYS A 88 98.076 -8.790 6.407 1.00 0.00 N ATOM 1437 CA CYS A 88 98.443 -8.725 7.850 1.00 0.00 C ATOM 1438 C CYS A 88 97.837 -9.921 8.587 1.00 0.00 C ATOM 1439 O CYS A 88 97.620 -9.881 9.782 1.00 0.00 O ATOM 1440 CB CYS A 88 97.904 -7.428 8.457 1.00 0.00 C ATOM 1441 SG CYS A 88 98.766 -7.086 10.012 1.00 0.00 S ATOM 0 H CYS A 88 97.075 -8.793 6.212 1.00 0.00 H new ATOM 0 HA CYS A 88 99.528 -8.749 7.948 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.046 -6.602 7.761 1.00 0.00 H new ATOM 0 HB3 CYS A 88 96.832 -7.515 8.634 1.00 0.00 H new ATOM 0 HG CYS A 88 99.687 -7.983 10.204 1.00 0.00 H new ATOM 1447 N THR A 89 97.563 -10.986 7.885 1.00 0.00 N ATOM 1448 CA THR A 89 96.974 -12.184 8.548 1.00 0.00 C ATOM 1449 C THR A 89 98.093 -13.155 8.929 1.00 0.00 C ATOM 1450 O THR A 89 97.889 -14.350 9.016 1.00 0.00 O ATOM 1451 CB THR A 89 96.002 -12.874 7.588 1.00 0.00 C ATOM 1452 OG1 THR A 89 96.647 -13.095 6.342 1.00 0.00 O ATOM 1453 CG2 THR A 89 94.774 -11.988 7.378 1.00 0.00 C ATOM 0 H THR A 89 97.721 -11.079 6.882 1.00 0.00 H new ATOM 0 HA THR A 89 96.438 -11.877 9.446 1.00 0.00 H new ATOM 0 HB THR A 89 95.690 -13.829 8.011 1.00 0.00 H new ATOM 0 HG1 THR A 89 97.600 -12.883 6.425 1.00 0.00 H new ATOM 0 HG21 THR A 89 94.083 -12.480 6.694 1.00 0.00 H new ATOM 0 HG22 THR A 89 94.280 -11.819 8.335 1.00 0.00 H new ATOM 0 HG23 THR A 89 95.083 -11.032 6.955 1.00 0.00 H new ATOM 1461 N PHE A 90 99.274 -12.651 9.154 1.00 0.00 N ATOM 1462 CA PHE A 90 100.410 -13.543 9.527 1.00 0.00 C ATOM 1463 C PHE A 90 101.373 -12.783 10.441 1.00 0.00 C ATOM 1464 O PHE A 90 101.814 -13.290 11.454 1.00 0.00 O ATOM 1465 CB PHE A 90 101.162 -14.004 8.268 1.00 0.00 C ATOM 1466 CG PHE A 90 100.802 -13.125 7.092 1.00 0.00 C ATOM 1467 CD1 PHE A 90 99.547 -13.248 6.487 1.00 0.00 C ATOM 1468 CD2 PHE A 90 101.724 -12.188 6.607 1.00 0.00 C ATOM 1469 CE1 PHE A 90 99.211 -12.435 5.397 1.00 0.00 C ATOM 1470 CE2 PHE A 90 101.389 -11.375 5.518 1.00 0.00 C ATOM 1471 CZ PHE A 90 100.132 -11.499 4.913 1.00 0.00 C ATOM 0 H PHE A 90 99.503 -11.659 9.096 1.00 0.00 H new ATOM 0 HA PHE A 90 100.017 -14.417 10.046 1.00 0.00 H new ATOM 0 HB2 PHE A 90 102.237 -13.966 8.444 1.00 0.00 H new ATOM 0 HB3 PHE A 90 100.912 -15.041 8.046 1.00 0.00 H new ATOM 0 HD1 PHE A 90 98.836 -13.970 6.861 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.693 -12.093 7.074 1.00 0.00 H new ATOM 0 HE1 PHE A 90 98.242 -12.530 4.930 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.099 -10.652 5.144 1.00 0.00 H new ATOM 0 HZ PHE A 90 99.873 -10.872 4.073 1.00 0.00 H new ATOM 1481 N SER A 91 101.703 -11.569 10.094 1.00 0.00 N ATOM 1482 CA SER A 91 102.639 -10.780 10.945 1.00 0.00 C ATOM 1483 C SER A 91 102.226 -9.306 10.925 1.00 0.00 C ATOM 1484 O SER A 91 101.167 -8.953 10.447 1.00 0.00 O ATOM 1485 CB SER A 91 104.060 -10.917 10.401 1.00 0.00 C ATOM 1486 OG SER A 91 104.616 -12.148 10.844 1.00 0.00 O ATOM 0 H SER A 91 101.366 -11.090 9.259 1.00 0.00 H new ATOM 0 HA SER A 91 102.604 -11.154 11.968 1.00 0.00 H new ATOM 0 HB2 SER A 91 104.050 -10.880 9.312 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.674 -10.084 10.742 1.00 0.00 H new ATOM 0 HG SER A 91 103.911 -12.702 11.240 1.00 0.00 H new ATOM 1492 N PHE A 92 103.057 -8.442 11.444 1.00 0.00 N ATOM 1493 CA PHE A 92 102.712 -6.992 11.455 1.00 0.00 C ATOM 1494 C PHE A 92 102.831 -6.430 10.035 1.00 0.00 C ATOM 1495 O PHE A 92 103.201 -7.126 9.112 1.00 0.00 O ATOM 1496 CB PHE A 92 103.666 -6.248 12.400 1.00 0.00 C ATOM 1497 CG PHE A 92 104.991 -5.998 11.714 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.951 -7.016 11.639 1.00 0.00 C ATOM 1499 CD2 PHE A 92 105.259 -4.743 11.153 1.00 0.00 C ATOM 1500 CE1 PHE A 92 107.173 -6.778 11.005 1.00 0.00 C ATOM 1501 CE2 PHE A 92 106.482 -4.507 10.519 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.439 -5.523 10.445 1.00 0.00 C ATOM 0 H PHE A 92 103.958 -8.678 11.860 1.00 0.00 H new ATOM 0 HA PHE A 92 101.689 -6.859 11.806 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.222 -5.301 12.705 1.00 0.00 H new ATOM 0 HB3 PHE A 92 103.822 -6.833 13.306 1.00 0.00 H new ATOM 0 HD1 PHE A 92 105.746 -7.984 12.071 1.00 0.00 H new ATOM 0 HD2 PHE A 92 104.520 -3.957 11.210 1.00 0.00 H new ATOM 0 HE1 PHE A 92 107.913 -7.563 10.947 1.00 0.00 H new ATOM 0 HE2 PHE A 92 106.688 -3.539 10.086 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.384 -5.340 9.956 1.00 0.00 H new ATOM 1512 N LEU A 93 102.521 -5.176 9.854 1.00 0.00 N ATOM 1513 CA LEU A 93 102.620 -4.578 8.494 1.00 0.00 C ATOM 1514 C LEU A 93 102.696 -3.054 8.604 1.00 0.00 C ATOM 1515 O LEU A 93 101.830 -2.418 9.169 1.00 0.00 O ATOM 1516 CB LEU A 93 101.388 -4.967 7.674 1.00 0.00 C ATOM 1517 CG LEU A 93 101.464 -4.306 6.298 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.592 -5.384 5.220 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.192 -3.491 6.054 1.00 0.00 C ATOM 0 H LEU A 93 102.204 -4.541 10.587 1.00 0.00 H new ATOM 0 HA LEU A 93 103.519 -4.950 8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.336 -6.050 7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.480 -4.654 8.190 1.00 0.00 H new ATOM 0 HG LEU A 93 102.332 -3.648 6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.646 -4.913 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.497 -5.966 5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.724 -6.042 5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.245 -3.019 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.325 -4.150 6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.099 -2.723 6.822 1.00 0.00 H new ATOM 1531 N ILE A 94 103.728 -2.464 8.063 1.00 0.00 N ATOM 1532 CA ILE A 94 103.860 -0.981 8.133 1.00 0.00 C ATOM 1533 C ILE A 94 104.048 -0.423 6.721 1.00 0.00 C ATOM 1534 O ILE A 94 105.027 0.235 6.429 1.00 0.00 O ATOM 1535 CB ILE A 94 105.073 -0.615 8.988 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.810 -1.014 10.443 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.314 0.893 8.912 1.00 0.00 C ATOM 1538 CD1 ILE A 94 106.111 -1.507 11.079 1.00 0.00 C ATOM 0 H ILE A 94 104.484 -2.945 7.576 1.00 0.00 H new ATOM 0 HA ILE A 94 102.961 -0.556 8.579 1.00 0.00 H new ATOM 0 HB ILE A 94 105.951 -1.144 8.617 1.00 0.00 H new ATOM 0 HG12 ILE A 94 104.420 -0.162 11.000 1.00 0.00 H new ATOM 0 HG13 ILE A 94 104.052 -1.796 10.486 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.179 1.154 9.522 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.499 1.180 7.877 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.436 1.421 9.283 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.925 -1.791 12.115 1.00 0.00 H new ATOM 0 HD12 ILE A 94 106.482 -2.371 10.527 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.855 -0.711 11.049 1.00 0.00 H new ATOM 1550 N CYS A 95 103.120 -0.681 5.842 1.00 0.00 N ATOM 1551 CA CYS A 95 103.250 -0.166 4.451 1.00 0.00 C ATOM 1552 C CYS A 95 102.773 1.288 4.397 1.00 0.00 C ATOM 1553 O CYS A 95 101.712 1.619 4.886 1.00 0.00 O ATOM 1554 CB CYS A 95 102.395 -1.018 3.509 1.00 0.00 C ATOM 1555 SG CYS A 95 102.342 -0.245 1.874 1.00 0.00 S ATOM 0 H CYS A 95 102.278 -1.226 6.027 1.00 0.00 H new ATOM 0 HA CYS A 95 104.294 -0.218 4.142 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.810 -2.023 3.434 1.00 0.00 H new ATOM 0 HB3 CYS A 95 101.386 -1.118 3.908 1.00 0.00 H new ATOM 0 HG CYS A 95 101.143 -0.351 1.382 1.00 0.00 H new ATOM 1561 N LYS A 96 103.546 2.159 3.806 1.00 0.00 N ATOM 1562 CA LYS A 96 103.127 3.587 3.726 1.00 0.00 C ATOM 1563 C LYS A 96 103.557 4.174 2.380 1.00 0.00 C ATOM 1564 O LYS A 96 104.323 3.579 1.649 1.00 0.00 O ATOM 1565 CB LYS A 96 103.784 4.375 4.862 1.00 0.00 C ATOM 1566 CG LYS A 96 103.072 4.060 6.178 1.00 0.00 C ATOM 1567 CD LYS A 96 103.067 5.304 7.070 1.00 0.00 C ATOM 1568 CE LYS A 96 101.629 5.642 7.469 1.00 0.00 C ATOM 1569 NZ LYS A 96 101.513 5.637 8.954 1.00 0.00 N ATOM 0 H LYS A 96 104.446 1.944 3.377 1.00 0.00 H new ATOM 0 HA LYS A 96 102.043 3.652 3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.840 4.115 4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 96 103.733 5.444 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 96 102.050 3.737 5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 96 103.574 3.237 6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 96 103.671 5.128 7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 96 103.516 6.145 6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 96 101.351 6.619 7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 96 100.940 4.916 7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 100.536 5.867 9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 101.762 4.695 9.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 102.160 6.346 9.355 1.00 0.00 H new ATOM 1583 N GLY A 97 103.069 5.338 2.045 1.00 0.00 N ATOM 1584 CA GLY A 97 103.449 5.961 0.745 1.00 0.00 C ATOM 1585 C GLY A 97 104.880 6.496 0.834 1.00 0.00 C ATOM 1586 O GLY A 97 105.567 6.295 1.814 1.00 0.00 O ATOM 0 H GLY A 97 102.424 5.884 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.373 5.228 -0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.761 6.771 0.503 1.00 0.00 H new ATOM 1590 N VAL A 98 105.334 7.177 -0.184 1.00 0.00 N ATOM 1591 CA VAL A 98 106.722 7.722 -0.154 1.00 0.00 C ATOM 1592 C VAL A 98 106.746 9.108 -0.802 1.00 0.00 C ATOM 1593 O VAL A 98 106.177 9.324 -1.853 1.00 0.00 O ATOM 1594 CB VAL A 98 107.654 6.790 -0.930 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.035 7.438 -1.053 1.00 0.00 C ATOM 1596 CG2 VAL A 98 107.781 5.460 -0.185 1.00 0.00 C ATOM 0 H VAL A 98 104.805 7.379 -1.033 1.00 0.00 H new ATOM 0 HA VAL A 98 107.055 7.797 0.881 1.00 0.00 H new ATOM 0 HB VAL A 98 107.245 6.612 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 98 109.700 6.775 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 98 108.946 8.387 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.444 7.615 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.445 4.795 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.191 5.638 0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 98 106.798 4.998 -0.095 1.00 0.00 H new ATOM 1606 N ASN A 99 107.411 10.048 -0.186 1.00 0.00 N ATOM 1607 CA ASN A 99 107.483 11.417 -0.770 1.00 0.00 C ATOM 1608 C ASN A 99 108.771 11.543 -1.585 1.00 0.00 C ATOM 1609 O ASN A 99 108.912 12.420 -2.415 1.00 0.00 O ATOM 1610 CB ASN A 99 107.483 12.453 0.355 1.00 0.00 C ATOM 1611 CG ASN A 99 106.143 13.191 0.370 1.00 0.00 C ATOM 1612 OD1 ASN A 99 105.483 13.297 -0.645 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.710 13.711 1.486 1.00 0.00 N ATOM 0 H ASN A 99 107.907 9.926 0.697 1.00 0.00 H new ATOM 0 HA ASN A 99 106.622 11.589 -1.415 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.651 11.964 1.314 1.00 0.00 H new ATOM 0 HB3 ASN A 99 108.299 13.162 0.211 1.00 0.00 H new ATOM 0 HD21 ASN A 99 104.818 14.206 1.506 1.00 0.00 H new ATOM 0 HD22 ASN A 99 106.263 13.622 2.338 1.00 0.00 H new ATOM 1620 N LYS A 100 109.709 10.665 -1.355 1.00 0.00 N ATOM 1621 CA LYS A 100 110.991 10.718 -2.111 1.00 0.00 C ATOM 1622 C LYS A 100 111.417 9.291 -2.465 1.00 0.00 C ATOM 1623 O LYS A 100 111.834 8.529 -1.616 1.00 0.00 O ATOM 1624 CB LYS A 100 112.066 11.376 -1.245 1.00 0.00 C ATOM 1625 CG LYS A 100 112.632 12.598 -1.971 1.00 0.00 C ATOM 1626 CD LYS A 100 112.356 13.855 -1.143 1.00 0.00 C ATOM 1627 CE LYS A 100 112.975 15.069 -1.836 1.00 0.00 C ATOM 1628 NZ LYS A 100 114.232 15.456 -1.133 1.00 0.00 N ATOM 0 H LYS A 100 109.641 9.910 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 100 110.861 11.300 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.643 11.674 -0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.864 10.664 -1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 100 113.705 12.479 -2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 100 112.177 12.692 -2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 100 111.282 13.998 -1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 100 112.773 13.743 -0.142 1.00 0.00 H new ATOM 0 HE2 LYS A 100 113.186 14.837 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 100 112.272 15.902 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 114.653 16.282 -1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 114.017 15.694 -0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 114.903 14.662 -1.160 1.00 0.00 H new ATOM 1642 N GLU A 101 111.298 8.918 -3.709 1.00 0.00 N ATOM 1643 CA GLU A 101 111.675 7.539 -4.116 1.00 0.00 C ATOM 1644 C GLU A 101 113.205 7.399 -4.168 1.00 0.00 C ATOM 1645 O GLU A 101 113.817 6.937 -3.226 1.00 0.00 O ATOM 1646 CB GLU A 101 111.063 7.251 -5.488 1.00 0.00 C ATOM 1647 CG GLU A 101 109.613 7.738 -5.510 1.00 0.00 C ATOM 1648 CD GLU A 101 109.531 9.065 -6.264 1.00 0.00 C ATOM 1649 OE1 GLU A 101 110.086 9.143 -7.347 1.00 0.00 O ATOM 1650 OE2 GLU A 101 108.912 9.980 -5.747 1.00 0.00 O ATOM 0 H GLU A 101 110.954 9.513 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 101 111.297 6.821 -3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 101 111.638 7.751 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 101 111.103 6.182 -5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 101 108.976 6.995 -5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 101 109.245 7.863 -4.492 1.00 0.00 H new ATOM 1657 N TYR A 102 113.824 7.784 -5.256 1.00 0.00 N ATOM 1658 CA TYR A 102 115.311 7.665 -5.368 1.00 0.00 C ATOM 1659 C TYR A 102 115.973 8.008 -4.029 1.00 0.00 C ATOM 1660 O TYR A 102 117.032 7.510 -3.707 1.00 0.00 O ATOM 1661 CB TYR A 102 115.822 8.629 -6.445 1.00 0.00 C ATOM 1662 CG TYR A 102 117.332 8.643 -6.432 1.00 0.00 C ATOM 1663 CD1 TYR A 102 118.020 9.318 -5.417 1.00 0.00 C ATOM 1664 CD2 TYR A 102 118.043 7.974 -7.435 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.420 9.325 -5.405 1.00 0.00 C ATOM 1666 CE2 TYR A 102 119.443 7.983 -7.422 1.00 0.00 C ATOM 1667 CZ TYR A 102 120.131 8.657 -6.408 1.00 0.00 C ATOM 1668 OH TYR A 102 121.511 8.663 -6.396 1.00 0.00 O ATOM 0 H TYR A 102 113.361 8.178 -6.075 1.00 0.00 H new ATOM 0 HA TYR A 102 115.563 6.640 -5.639 1.00 0.00 H new ATOM 0 HB2 TYR A 102 115.459 8.321 -7.426 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.437 9.632 -6.263 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.471 9.833 -4.643 1.00 0.00 H new ATOM 0 HD2 TYR A 102 117.513 7.452 -8.218 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.951 9.846 -4.622 1.00 0.00 H new ATOM 0 HE2 TYR A 102 119.993 7.469 -8.196 1.00 0.00 H new ATOM 0 HH TYR A 102 121.847 8.152 -7.162 1.00 0.00 H new ATOM 1678 N LEU A 103 115.361 8.857 -3.247 1.00 0.00 N ATOM 1679 CA LEU A 103 115.963 9.231 -1.938 1.00 0.00 C ATOM 1680 C LEU A 103 115.873 8.057 -0.962 1.00 0.00 C ATOM 1681 O LEU A 103 116.861 7.420 -0.658 1.00 0.00 O ATOM 1682 CB LEU A 103 115.222 10.430 -1.365 1.00 0.00 C ATOM 1683 CG LEU A 103 116.218 11.568 -1.180 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.214 11.195 -0.084 1.00 0.00 C ATOM 1685 CD2 LEU A 103 116.974 11.799 -2.487 1.00 0.00 C ATOM 0 H LEU A 103 114.470 9.307 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 103 117.012 9.486 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.418 10.735 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 103 114.761 10.171 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 103 115.685 12.476 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 103 117.928 12.007 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 103 116.679 11.023 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 103 117.746 10.288 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 103 117.687 12.613 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.508 10.890 -2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 103 116.267 12.059 -3.275 1.00 0.00 H new ATOM 1697 N MET A 104 114.698 7.773 -0.463 1.00 0.00 N ATOM 1698 CA MET A 104 114.543 6.643 0.501 1.00 0.00 C ATOM 1699 C MET A 104 115.405 5.461 0.053 1.00 0.00 C ATOM 1700 O MET A 104 116.066 4.825 0.851 1.00 0.00 O ATOM 1701 CB MET A 104 113.076 6.213 0.550 1.00 0.00 C ATOM 1702 CG MET A 104 112.853 5.296 1.755 1.00 0.00 C ATOM 1703 SD MET A 104 111.644 6.052 2.870 1.00 0.00 S ATOM 1704 CE MET A 104 110.992 4.517 3.575 1.00 0.00 C ATOM 0 H MET A 104 113.838 8.276 -0.682 1.00 0.00 H new ATOM 0 HA MET A 104 114.862 6.968 1.491 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.431 7.089 0.622 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.807 5.694 -0.370 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.498 4.321 1.423 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.794 5.131 2.279 1.00 0.00 H new ATOM 0 HE1 MET A 104 109.910 4.488 3.445 1.00 0.00 H new ATOM 0 HE2 MET A 104 111.442 3.664 3.067 1.00 0.00 H new ATOM 0 HE3 MET A 104 111.231 4.474 4.638 1.00 0.00 H new ATOM 1714 N TYR A 105 115.407 5.162 -1.216 1.00 0.00 N ATOM 1715 CA TYR A 105 116.231 4.022 -1.709 1.00 0.00 C ATOM 1716 C TYR A 105 117.707 4.291 -1.412 1.00 0.00 C ATOM 1717 O TYR A 105 118.406 3.450 -0.887 1.00 0.00 O ATOM 1718 CB TYR A 105 116.039 3.866 -3.218 1.00 0.00 C ATOM 1719 CG TYR A 105 116.943 2.770 -3.725 1.00 0.00 C ATOM 1720 CD1 TYR A 105 118.249 3.070 -4.130 1.00 0.00 C ATOM 1721 CD2 TYR A 105 116.477 1.452 -3.789 1.00 0.00 C ATOM 1722 CE1 TYR A 105 119.087 2.054 -4.599 1.00 0.00 C ATOM 1723 CE2 TYR A 105 117.315 0.435 -4.257 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.620 0.735 -4.662 1.00 0.00 C ATOM 1725 OH TYR A 105 119.447 -0.268 -5.124 1.00 0.00 O ATOM 0 H TYR A 105 114.875 5.656 -1.932 1.00 0.00 H new ATOM 0 HA TYR A 105 115.918 3.107 -1.205 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.999 3.628 -3.441 1.00 0.00 H new ATOM 0 HB3 TYR A 105 116.267 4.804 -3.724 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.609 4.087 -4.080 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.469 1.220 -3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 105 120.094 2.286 -4.913 1.00 0.00 H new ATOM 0 HE2 TYR A 105 116.955 -0.582 -4.306 1.00 0.00 H new ATOM 0 HH TYR A 105 120.107 0.111 -5.741 1.00 0.00 H new ATOM 1735 N SER A 106 118.187 5.459 -1.746 1.00 0.00 N ATOM 1736 CA SER A 106 119.619 5.780 -1.481 1.00 0.00 C ATOM 1737 C SER A 106 119.916 5.586 0.008 1.00 0.00 C ATOM 1738 O SER A 106 120.798 4.837 0.384 1.00 0.00 O ATOM 1739 CB SER A 106 119.897 7.232 -1.873 1.00 0.00 C ATOM 1740 OG SER A 106 120.932 7.266 -2.846 1.00 0.00 O ATOM 0 H SER A 106 117.650 6.204 -2.190 1.00 0.00 H new ATOM 0 HA SER A 106 120.256 5.118 -2.068 1.00 0.00 H new ATOM 0 HB2 SER A 106 118.993 7.693 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 106 120.189 7.808 -0.995 1.00 0.00 H new ATOM 0 HG SER A 106 120.643 7.804 -3.612 1.00 0.00 H new ATOM 1746 N ALA A 107 119.186 6.252 0.858 1.00 0.00 N ATOM 1747 CA ALA A 107 119.424 6.102 2.320 1.00 0.00 C ATOM 1748 C ALA A 107 119.172 4.646 2.723 1.00 0.00 C ATOM 1749 O ALA A 107 119.576 4.205 3.780 1.00 0.00 O ATOM 1750 CB ALA A 107 118.471 7.019 3.089 1.00 0.00 C ATOM 0 H ALA A 107 118.435 6.894 0.604 1.00 0.00 H new ATOM 0 HA ALA A 107 120.453 6.374 2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.645 6.909 4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.647 8.054 2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.441 6.748 2.859 1.00 0.00 H new ATOM 1756 N LEU A 108 118.509 3.899 1.883 1.00 0.00 N ATOM 1757 CA LEU A 108 118.233 2.471 2.211 1.00 0.00 C ATOM 1758 C LEU A 108 119.437 1.618 1.801 1.00 0.00 C ATOM 1759 O LEU A 108 119.686 0.568 2.358 1.00 0.00 O ATOM 1760 CB LEU A 108 116.990 2.002 1.449 1.00 0.00 C ATOM 1761 CG LEU A 108 115.738 2.310 2.273 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.508 1.735 1.567 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.870 1.675 3.658 1.00 0.00 C ATOM 0 H LEU A 108 118.146 4.216 0.984 1.00 0.00 H new ATOM 0 HA LEU A 108 118.059 2.368 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 108 116.934 2.502 0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.054 0.932 1.252 1.00 0.00 H new ATOM 0 HG LEU A 108 115.628 3.390 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.616 1.954 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.412 2.185 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.619 0.655 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 108 114.978 1.894 4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 108 115.980 0.596 3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.746 2.082 4.163 1.00 0.00 H new ATOM 1775 N THR A 109 120.187 2.067 0.835 1.00 0.00 N ATOM 1776 CA THR A 109 121.377 1.288 0.391 1.00 0.00 C ATOM 1777 C THR A 109 122.535 1.546 1.358 1.00 0.00 C ATOM 1778 O THR A 109 123.415 0.723 1.523 1.00 0.00 O ATOM 1779 CB THR A 109 121.779 1.729 -1.018 1.00 0.00 C ATOM 1780 OG1 THR A 109 122.189 3.089 -0.987 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.588 1.574 -1.964 1.00 0.00 C ATOM 0 H THR A 109 120.028 2.940 0.333 1.00 0.00 H new ATOM 0 HA THR A 109 121.137 0.225 0.381 1.00 0.00 H new ATOM 0 HB THR A 109 122.602 1.109 -1.372 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.760 3.543 -0.232 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.877 1.889 -2.967 1.00 0.00 H new ATOM 0 HG22 THR A 109 120.275 0.530 -1.987 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.762 2.193 -1.613 1.00 0.00 H new ATOM 1789 N ARG A 110 122.542 2.684 1.998 1.00 0.00 N ATOM 1790 CA ARG A 110 123.642 2.994 2.956 1.00 0.00 C ATOM 1791 C ARG A 110 123.305 2.405 4.325 1.00 0.00 C ATOM 1792 O ARG A 110 122.165 2.398 4.747 1.00 0.00 O ATOM 1793 CB ARG A 110 123.798 4.512 3.077 1.00 0.00 C ATOM 1794 CG ARG A 110 125.284 4.870 3.132 1.00 0.00 C ATOM 1795 CD ARG A 110 125.477 6.313 2.656 1.00 0.00 C ATOM 1796 NE ARG A 110 126.421 7.014 3.571 1.00 0.00 N ATOM 1797 CZ ARG A 110 126.645 8.292 3.423 1.00 0.00 C ATOM 1798 NH1 ARG A 110 126.309 8.888 2.311 1.00 0.00 N ATOM 1799 NH2 ARG A 110 127.205 8.973 4.385 1.00 0.00 N ATOM 0 H ARG A 110 121.834 3.412 1.899 1.00 0.00 H new ATOM 0 HA ARG A 110 124.574 2.560 2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 110 123.325 5.006 2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 110 123.294 4.870 3.975 1.00 0.00 H new ATOM 0 HG2 ARG A 110 125.659 4.758 4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 110 125.857 4.188 2.504 1.00 0.00 H new ATOM 0 HD2 ARG A 110 125.866 6.323 1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 110 124.519 6.832 2.637 1.00 0.00 H new ATOM 0 HE ARG A 110 126.892 6.496 4.313 1.00 0.00 H new ATOM 0 HH11 ARG A 110 125.872 8.355 1.559 1.00 0.00 H new ATOM 0 HH12 ARG A 110 126.484 9.886 2.194 1.00 0.00 H new ATOM 0 HH21 ARG A 110 127.468 8.507 5.253 1.00 0.00 H new ATOM 0 HH22 ARG A 110 127.380 9.971 4.269 1.00 0.00 H new ATOM 1813 N ASP A 111 124.288 1.909 5.027 1.00 0.00 N ATOM 1814 CA ASP A 111 124.022 1.322 6.370 1.00 0.00 C ATOM 1815 C ASP A 111 123.275 2.344 7.232 1.00 0.00 C ATOM 1816 O ASP A 111 123.352 3.532 6.988 1.00 0.00 O ATOM 1817 CB ASP A 111 125.348 0.961 7.042 1.00 0.00 C ATOM 1818 CG ASP A 111 125.963 -0.255 6.345 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.287 -0.843 5.518 1.00 0.00 O ATOM 1820 OD2 ASP A 111 127.098 -0.578 6.652 1.00 0.00 O ATOM 0 H ASP A 111 125.263 1.885 4.728 1.00 0.00 H new ATOM 0 HA ASP A 111 123.415 0.423 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 111 126.034 1.807 6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.185 0.744 8.098 1.00 0.00 H new ATOM 1825 N PRO A 112 122.577 1.848 8.221 1.00 0.00 N ATOM 1826 CA PRO A 112 122.493 0.404 8.507 1.00 0.00 C ATOM 1827 C PRO A 112 121.491 -0.275 7.565 1.00 0.00 C ATOM 1828 O PRO A 112 121.141 -1.425 7.743 1.00 0.00 O ATOM 1829 CB PRO A 112 121.992 0.356 9.952 1.00 0.00 C ATOM 1830 CG PRO A 112 121.282 1.707 10.213 1.00 0.00 C ATOM 1831 CD PRO A 112 121.809 2.694 9.154 1.00 0.00 C ATOM 0 HA PRO A 112 123.441 -0.115 8.367 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.306 -0.478 10.098 1.00 0.00 H new ATOM 0 HB3 PRO A 112 122.820 0.212 10.646 1.00 0.00 H new ATOM 0 HG2 PRO A 112 120.200 1.597 10.136 1.00 0.00 H new ATOM 0 HG3 PRO A 112 121.495 2.068 11.219 1.00 0.00 H new ATOM 0 HD2 PRO A 112 120.992 3.207 8.646 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.437 3.463 9.604 1.00 0.00 H new ATOM 1839 N PHE A 113 121.020 0.427 6.568 1.00 0.00 N ATOM 1840 CA PHE A 113 120.040 -0.187 5.628 1.00 0.00 C ATOM 1841 C PHE A 113 120.783 -1.014 4.577 1.00 0.00 C ATOM 1842 O PHE A 113 121.477 -0.485 3.732 1.00 0.00 O ATOM 1843 CB PHE A 113 119.237 0.918 4.936 1.00 0.00 C ATOM 1844 CG PHE A 113 118.349 1.603 5.947 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.330 0.885 6.586 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.543 2.957 6.244 1.00 0.00 C ATOM 1847 CE1 PHE A 113 116.507 1.520 7.519 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.719 3.592 7.179 1.00 0.00 C ATOM 1849 CZ PHE A 113 116.701 2.875 7.817 1.00 0.00 C ATOM 0 H PHE A 113 121.271 1.395 6.365 1.00 0.00 H new ATOM 0 HA PHE A 113 119.363 -0.836 6.184 1.00 0.00 H new ATOM 0 HB2 PHE A 113 119.912 1.642 4.480 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.633 0.495 4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.181 -0.160 6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 113 119.328 3.511 5.752 1.00 0.00 H new ATOM 0 HE1 PHE A 113 115.721 0.966 8.011 1.00 0.00 H new ATOM 0 HE2 PHE A 113 117.869 4.637 7.409 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.065 3.366 8.539 1.00 0.00 H new ATOM 1859 N SER A 114 120.641 -2.311 4.624 1.00 0.00 N ATOM 1860 CA SER A 114 121.338 -3.177 3.631 1.00 0.00 C ATOM 1861 C SER A 114 120.436 -3.392 2.414 1.00 0.00 C ATOM 1862 O SER A 114 119.366 -2.824 2.313 1.00 0.00 O ATOM 1863 CB SER A 114 121.660 -4.527 4.272 1.00 0.00 C ATOM 1864 OG SER A 114 122.884 -5.019 3.741 1.00 0.00 O ATOM 0 H SER A 114 120.071 -2.809 5.308 1.00 0.00 H new ATOM 0 HA SER A 114 122.262 -2.694 3.314 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.737 -4.420 5.354 1.00 0.00 H new ATOM 0 HB3 SER A 114 120.855 -5.236 4.078 1.00 0.00 H new ATOM 0 HG SER A 114 123.094 -5.884 4.151 1.00 0.00 H new ATOM 1870 N VAL A 115 120.858 -4.212 1.490 1.00 0.00 N ATOM 1871 CA VAL A 115 120.028 -4.468 0.280 1.00 0.00 C ATOM 1872 C VAL A 115 119.875 -5.978 0.079 1.00 0.00 C ATOM 1873 O VAL A 115 120.707 -6.755 0.501 1.00 0.00 O ATOM 1874 CB VAL A 115 120.714 -3.860 -0.944 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.827 -4.053 -2.174 1.00 0.00 C ATOM 1876 CG2 VAL A 115 120.942 -2.364 -0.711 1.00 0.00 C ATOM 0 H VAL A 115 121.744 -4.716 1.522 1.00 0.00 H new ATOM 0 HA VAL A 115 119.045 -4.016 0.410 1.00 0.00 H new ATOM 0 HB VAL A 115 121.672 -4.354 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.316 -3.620 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.663 -5.118 -2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.869 -3.559 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.431 -1.930 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 115 119.984 -1.871 -0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.574 -2.225 0.166 1.00 0.00 H new ATOM 1886 N ILE A 116 118.818 -6.401 -0.561 1.00 0.00 N ATOM 1887 CA ILE A 116 118.620 -7.862 -0.782 1.00 0.00 C ATOM 1888 C ILE A 116 118.421 -8.137 -2.273 1.00 0.00 C ATOM 1889 O ILE A 116 119.274 -8.699 -2.929 1.00 0.00 O ATOM 1890 CB ILE A 116 117.385 -8.332 -0.012 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.316 -7.594 1.326 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.480 -9.838 0.238 1.00 0.00 C ATOM 1893 CD1 ILE A 116 115.983 -7.898 2.009 1.00 0.00 C ATOM 0 H ILE A 116 118.086 -5.800 -0.939 1.00 0.00 H new ATOM 0 HA ILE A 116 119.499 -8.400 -0.429 1.00 0.00 H new ATOM 0 HB ILE A 116 116.488 -8.120 -0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.143 -7.902 1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.419 -6.521 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.599 -10.172 0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.534 -10.363 -0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.375 -10.054 0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 116 115.934 -7.372 2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.163 -7.568 1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 116 115.899 -8.971 2.182 1.00 0.00 H new ATOM 1905 N GLU A 117 117.298 -7.749 -2.812 1.00 0.00 N ATOM 1906 CA GLU A 117 117.047 -7.996 -4.260 1.00 0.00 C ATOM 1907 C GLU A 117 116.345 -6.782 -4.872 1.00 0.00 C ATOM 1908 O GLU A 117 115.911 -5.888 -4.173 1.00 0.00 O ATOM 1909 CB GLU A 117 116.158 -9.232 -4.416 1.00 0.00 C ATOM 1910 CG GLU A 117 116.164 -9.686 -5.877 1.00 0.00 C ATOM 1911 CD GLU A 117 115.827 -11.177 -5.949 1.00 0.00 C ATOM 1912 OE1 GLU A 117 116.706 -11.977 -5.673 1.00 0.00 O ATOM 1913 OE2 GLU A 117 114.696 -11.493 -6.278 1.00 0.00 O ATOM 0 H GLU A 117 116.546 -7.273 -2.314 1.00 0.00 H new ATOM 0 HA GLU A 117 117.995 -8.161 -4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.518 -10.035 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 117 115.140 -9.003 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 117 115.438 -9.110 -6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 117 117.142 -9.501 -6.322 1.00 0.00 H new ATOM 1920 N GLU A 118 116.228 -6.745 -6.171 1.00 0.00 N ATOM 1921 CA GLU A 118 115.550 -5.589 -6.822 1.00 0.00 C ATOM 1922 C GLU A 118 115.340 -5.881 -8.309 1.00 0.00 C ATOM 1923 O GLU A 118 115.797 -6.882 -8.826 1.00 0.00 O ATOM 1924 CB GLU A 118 116.405 -4.328 -6.668 1.00 0.00 C ATOM 1925 CG GLU A 118 117.885 -4.665 -6.853 1.00 0.00 C ATOM 1926 CD GLU A 118 118.377 -4.072 -8.173 1.00 0.00 C ATOM 1927 OE1 GLU A 118 118.039 -2.933 -8.447 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.082 -4.768 -8.886 1.00 0.00 O ATOM 0 H GLU A 118 116.572 -7.463 -6.808 1.00 0.00 H new ATOM 0 HA GLU A 118 114.584 -5.431 -6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.100 -3.582 -7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.245 -3.890 -5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.467 -4.266 -6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.027 -5.746 -6.851 1.00 0.00 H new ATOM 1935 N SER A 119 114.649 -5.015 -9.000 1.00 0.00 N ATOM 1936 CA SER A 119 114.407 -5.239 -10.453 1.00 0.00 C ATOM 1937 C SER A 119 115.237 -4.246 -11.270 1.00 0.00 C ATOM 1938 O SER A 119 115.481 -4.444 -12.444 1.00 0.00 O ATOM 1939 CB SER A 119 112.923 -5.037 -10.760 1.00 0.00 C ATOM 1940 OG SER A 119 112.276 -6.302 -10.813 1.00 0.00 O ATOM 0 H SER A 119 114.241 -4.161 -8.620 1.00 0.00 H new ATOM 0 HA SER A 119 114.697 -6.256 -10.716 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.463 -4.413 -9.994 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.804 -4.515 -11.710 1.00 0.00 H new ATOM 0 HG SER A 119 111.324 -6.175 -11.008 1.00 0.00 H new ATOM 1946 N LEU A 120 115.677 -3.179 -10.657 1.00 0.00 N ATOM 1947 CA LEU A 120 116.492 -2.176 -11.399 1.00 0.00 C ATOM 1948 C LEU A 120 117.936 -2.678 -11.504 1.00 0.00 C ATOM 1949 O LEU A 120 118.384 -3.446 -10.677 1.00 0.00 O ATOM 1950 CB LEU A 120 116.481 -0.846 -10.638 1.00 0.00 C ATOM 1951 CG LEU A 120 115.378 0.061 -11.186 1.00 0.00 C ATOM 1952 CD1 LEU A 120 115.133 1.211 -10.207 1.00 0.00 C ATOM 1953 CD2 LEU A 120 115.815 0.631 -12.536 1.00 0.00 C ATOM 0 H LEU A 120 115.507 -2.960 -9.675 1.00 0.00 H new ATOM 0 HA LEU A 120 116.074 -2.033 -12.396 1.00 0.00 H new ATOM 0 HB2 LEU A 120 116.320 -1.027 -9.575 1.00 0.00 H new ATOM 0 HB3 LEU A 120 117.449 -0.354 -10.734 1.00 0.00 H new ATOM 0 HG LEU A 120 114.461 -0.515 -11.311 1.00 0.00 H new ATOM 0 HD11 LEU A 120 114.347 1.859 -10.596 1.00 0.00 H new ATOM 0 HD12 LEU A 120 114.827 0.808 -9.242 1.00 0.00 H new ATOM 0 HD13 LEU A 120 116.050 1.787 -10.085 1.00 0.00 H new ATOM 0 HD21 LEU A 120 115.031 1.278 -12.929 1.00 0.00 H new ATOM 0 HD22 LEU A 120 116.731 1.208 -12.408 1.00 0.00 H new ATOM 0 HD23 LEU A 120 115.995 -0.186 -13.235 1.00 0.00 H new ATOM 1965 N PRO A 121 118.626 -2.223 -12.518 1.00 0.00 N ATOM 1966 CA PRO A 121 120.030 -2.599 -12.754 1.00 0.00 C ATOM 1967 C PRO A 121 120.964 -1.758 -11.871 1.00 0.00 C ATOM 1968 O PRO A 121 122.001 -1.302 -12.310 1.00 0.00 O ATOM 1969 CB PRO A 121 120.243 -2.266 -14.233 1.00 0.00 C ATOM 1970 CG PRO A 121 119.171 -1.211 -14.602 1.00 0.00 C ATOM 1971 CD PRO A 121 118.067 -1.306 -13.531 1.00 0.00 C ATOM 0 HA PRO A 121 120.241 -3.642 -12.518 1.00 0.00 H new ATOM 0 HB2 PRO A 121 121.247 -1.876 -14.403 1.00 0.00 H new ATOM 0 HB3 PRO A 121 120.139 -3.158 -14.851 1.00 0.00 H new ATOM 0 HG2 PRO A 121 119.604 -0.211 -14.623 1.00 0.00 H new ATOM 0 HG3 PRO A 121 118.764 -1.404 -15.595 1.00 0.00 H new ATOM 0 HD2 PRO A 121 117.842 -0.329 -13.103 1.00 0.00 H new ATOM 0 HD3 PRO A 121 117.138 -1.693 -13.949 1.00 0.00 H new ATOM 1979 N GLY A 122 120.602 -1.548 -10.635 1.00 0.00 N ATOM 1980 CA GLY A 122 121.463 -0.736 -9.728 1.00 0.00 C ATOM 1981 C GLY A 122 120.585 -0.060 -8.674 1.00 0.00 C ATOM 1982 O GLY A 122 121.009 0.193 -7.564 1.00 0.00 O ATOM 0 H GLY A 122 119.745 -1.905 -10.213 1.00 0.00 H new ATOM 0 HA2 GLY A 122 122.206 -1.372 -9.246 1.00 0.00 H new ATOM 0 HA3 GLY A 122 122.008 0.015 -10.300 1.00 0.00 H new ATOM 1986 N GLY A 123 119.360 0.233 -9.017 1.00 0.00 N ATOM 1987 CA GLY A 123 118.444 0.889 -8.041 1.00 0.00 C ATOM 1988 C GLY A 123 117.831 2.137 -8.680 1.00 0.00 C ATOM 1989 O GLY A 123 117.616 2.190 -9.874 1.00 0.00 O ATOM 0 H GLY A 123 118.953 0.046 -9.933 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.657 0.196 -7.741 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.991 1.160 -7.138 1.00 0.00 H new ATOM 1993 N LEU A 124 117.547 3.141 -7.896 1.00 0.00 N ATOM 1994 CA LEU A 124 116.943 4.382 -8.462 1.00 0.00 C ATOM 1995 C LEU A 124 118.055 5.315 -8.954 1.00 0.00 C ATOM 1996 O LEU A 124 119.146 5.335 -8.419 1.00 0.00 O ATOM 1997 CB LEU A 124 116.115 5.084 -7.380 1.00 0.00 C ATOM 1998 CG LEU A 124 115.198 4.065 -6.694 1.00 0.00 C ATOM 1999 CD1 LEU A 124 114.236 4.785 -5.746 1.00 0.00 C ATOM 2000 CD2 LEU A 124 114.385 3.321 -7.750 1.00 0.00 C ATOM 0 H LEU A 124 117.707 3.156 -6.889 1.00 0.00 H new ATOM 0 HA LEU A 124 116.296 4.124 -9.300 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.775 5.547 -6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 124 115.521 5.883 -7.823 1.00 0.00 H new ATOM 0 HG LEU A 124 115.810 3.361 -6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 124 113.587 4.055 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 124 114.806 5.322 -4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 124 113.628 5.491 -6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 124 113.733 2.596 -7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 124 113.781 4.033 -8.312 1.00 0.00 H new ATOM 0 HD23 LEU A 124 115.060 2.802 -8.430 1.00 0.00 H new ATOM 2012 N LYS A 125 117.786 6.086 -9.976 1.00 0.00 N ATOM 2013 CA LYS A 125 118.826 7.014 -10.509 1.00 0.00 C ATOM 2014 C LYS A 125 118.323 8.459 -10.424 1.00 0.00 C ATOM 2015 O LYS A 125 117.275 8.731 -9.872 1.00 0.00 O ATOM 2016 CB LYS A 125 119.118 6.666 -11.969 1.00 0.00 C ATOM 2017 CG LYS A 125 120.531 6.089 -12.082 1.00 0.00 C ATOM 2018 CD LYS A 125 120.452 4.573 -12.260 1.00 0.00 C ATOM 2019 CE LYS A 125 119.516 3.982 -11.202 1.00 0.00 C ATOM 2020 NZ LYS A 125 119.617 2.495 -11.223 1.00 0.00 N ATOM 0 H LYS A 125 116.891 6.113 -10.464 1.00 0.00 H new ATOM 0 HA LYS A 125 119.736 6.912 -9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 125 118.388 5.944 -12.335 1.00 0.00 H new ATOM 0 HB3 LYS A 125 119.026 7.556 -12.592 1.00 0.00 H new ATOM 0 HG2 LYS A 125 121.052 6.538 -12.928 1.00 0.00 H new ATOM 0 HG3 LYS A 125 121.106 6.331 -11.188 1.00 0.00 H new ATOM 0 HD2 LYS A 125 120.087 4.332 -13.259 1.00 0.00 H new ATOM 0 HD3 LYS A 125 121.445 4.133 -12.169 1.00 0.00 H new ATOM 0 HE2 LYS A 125 119.780 4.361 -10.215 1.00 0.00 H new ATOM 0 HE3 LYS A 125 118.489 4.290 -11.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 118.714 2.081 -10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 119.834 2.175 -12.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 120.374 2.189 -10.579 1.00 0.00 H new ATOM 2034 N GLU A 126 119.061 9.388 -10.972 1.00 0.00 N ATOM 2035 CA GLU A 126 118.624 10.813 -10.926 1.00 0.00 C ATOM 2036 C GLU A 126 117.249 10.940 -11.584 1.00 0.00 C ATOM 2037 O GLU A 126 116.265 11.226 -10.933 1.00 0.00 O ATOM 2038 CB GLU A 126 119.634 11.681 -11.679 1.00 0.00 C ATOM 2039 CG GLU A 126 120.910 11.818 -10.844 1.00 0.00 C ATOM 2040 CD GLU A 126 122.085 12.161 -11.760 1.00 0.00 C ATOM 2041 OE1 GLU A 126 121.944 11.996 -12.960 1.00 0.00 O ATOM 2042 OE2 GLU A 126 123.108 12.585 -11.246 1.00 0.00 O ATOM 0 H GLU A 126 119.947 9.221 -11.449 1.00 0.00 H new ATOM 0 HA GLU A 126 118.565 11.145 -9.889 1.00 0.00 H new ATOM 0 HB2 GLU A 126 119.865 11.233 -12.646 1.00 0.00 H new ATOM 0 HB3 GLU A 126 119.208 12.665 -11.877 1.00 0.00 H new ATOM 0 HG2 GLU A 126 120.783 12.596 -10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 126 121.110 10.888 -10.311 1.00 0.00 H new ATOM 2049 N HIS A 127 117.172 10.717 -12.869 1.00 0.00 N ATOM 2050 CA HIS A 127 115.856 10.812 -13.561 1.00 0.00 C ATOM 2051 C HIS A 127 114.896 9.805 -12.929 1.00 0.00 C ATOM 2052 O HIS A 127 115.040 9.442 -11.778 1.00 0.00 O ATOM 2053 CB HIS A 127 116.035 10.491 -15.045 1.00 0.00 C ATOM 2054 CG HIS A 127 116.312 9.021 -15.218 1.00 0.00 C ATOM 2055 ND1 HIS A 127 116.956 8.267 -14.248 1.00 0.00 N ATOM 2056 CD2 HIS A 127 116.033 8.153 -16.243 1.00 0.00 C ATOM 2057 CE1 HIS A 127 117.043 7.004 -14.708 1.00 0.00 C ATOM 2058 NE2 HIS A 127 116.494 6.880 -15.919 1.00 0.00 N ATOM 0 H HIS A 127 117.962 10.474 -13.467 1.00 0.00 H new ATOM 0 HA HIS A 127 115.454 11.820 -13.461 1.00 0.00 H new ATOM 0 HB2 HIS A 127 115.138 10.769 -15.598 1.00 0.00 H new ATOM 0 HB3 HIS A 127 116.857 11.076 -15.457 1.00 0.00 H new ATOM 0 HD2 HIS A 127 115.532 8.417 -17.162 1.00 0.00 H new ATOM 0 HE1 HIS A 127 117.501 6.191 -14.164 1.00 0.00 H new ATOM 0 HE2 HIS A 127 116.427 6.034 -16.485 1.00 0.00 H new ATOM 2066 N ASP A 128 113.927 9.332 -13.662 1.00 0.00 N ATOM 2067 CA ASP A 128 112.994 8.339 -13.066 1.00 0.00 C ATOM 2068 C ASP A 128 113.659 6.971 -13.077 1.00 0.00 C ATOM 2069 O ASP A 128 114.785 6.821 -13.503 1.00 0.00 O ATOM 2070 CB ASP A 128 111.692 8.260 -13.854 1.00 0.00 C ATOM 2071 CG ASP A 128 111.972 8.444 -15.348 1.00 0.00 C ATOM 2072 OD1 ASP A 128 112.901 7.824 -15.838 1.00 0.00 O ATOM 2073 OD2 ASP A 128 111.252 9.203 -15.975 1.00 0.00 O ATOM 0 H ASP A 128 113.743 9.586 -14.633 1.00 0.00 H new ATOM 0 HA ASP A 128 112.763 8.651 -12.048 1.00 0.00 H new ATOM 0 HB2 ASP A 128 111.211 7.297 -13.682 1.00 0.00 H new ATOM 0 HB3 ASP A 128 111.001 9.028 -13.508 1.00 0.00 H new ATOM 2078 N PHE A 129 112.983 5.972 -12.591 1.00 0.00 N ATOM 2079 CA PHE A 129 113.596 4.618 -12.553 1.00 0.00 C ATOM 2080 C PHE A 129 112.728 3.647 -13.347 1.00 0.00 C ATOM 2081 O PHE A 129 111.519 3.754 -13.373 1.00 0.00 O ATOM 2082 CB PHE A 129 113.712 4.138 -11.098 1.00 0.00 C ATOM 2083 CG PHE A 129 113.667 5.323 -10.157 1.00 0.00 C ATOM 2084 CD1 PHE A 129 114.411 6.472 -10.438 1.00 0.00 C ATOM 2085 CD2 PHE A 129 112.874 5.275 -9.008 1.00 0.00 C ATOM 2086 CE1 PHE A 129 114.362 7.568 -9.576 1.00 0.00 C ATOM 2087 CE2 PHE A 129 112.822 6.365 -8.149 1.00 0.00 C ATOM 2088 CZ PHE A 129 113.565 7.516 -8.430 1.00 0.00 C ATOM 0 H PHE A 129 112.035 6.033 -12.219 1.00 0.00 H new ATOM 0 HA PHE A 129 114.592 4.660 -12.994 1.00 0.00 H new ATOM 0 HB2 PHE A 129 112.899 3.449 -10.868 1.00 0.00 H new ATOM 0 HB3 PHE A 129 114.644 3.589 -10.961 1.00 0.00 H new ATOM 0 HD1 PHE A 129 115.026 6.512 -11.325 1.00 0.00 H new ATOM 0 HD2 PHE A 129 112.300 4.388 -8.787 1.00 0.00 H new ATOM 0 HE1 PHE A 129 114.939 8.455 -9.794 1.00 0.00 H new ATOM 0 HE2 PHE A 129 112.207 6.324 -7.262 1.00 0.00 H new ATOM 0 HZ PHE A 129 113.523 8.363 -7.762 1.00 0.00 H new ATOM 2098 N ASN A 130 113.340 2.703 -14.000 1.00 0.00 N ATOM 2099 CA ASN A 130 112.555 1.722 -14.803 1.00 0.00 C ATOM 2100 C ASN A 130 113.376 0.445 -15.007 1.00 0.00 C ATOM 2101 O ASN A 130 114.568 0.432 -14.770 1.00 0.00 O ATOM 2102 CB ASN A 130 112.219 2.332 -16.164 1.00 0.00 C ATOM 2103 CG ASN A 130 110.747 2.747 -16.189 1.00 0.00 C ATOM 2104 OD1 ASN A 130 110.318 3.559 -15.394 1.00 0.00 O ATOM 2105 ND2 ASN A 130 109.949 2.219 -17.077 1.00 0.00 N ATOM 0 H ASN A 130 114.351 2.566 -14.014 1.00 0.00 H new ATOM 0 HA ASN A 130 111.634 1.478 -14.273 1.00 0.00 H new ATOM 0 HB2 ASN A 130 112.855 3.197 -16.353 1.00 0.00 H new ATOM 0 HB3 ASN A 130 112.418 1.611 -16.957 1.00 0.00 H new ATOM 0 HD21 ASN A 130 108.966 2.488 -17.103 1.00 0.00 H new ATOM 0 HD22 ASN A 130 110.309 1.537 -17.745 1.00 0.00 H new ATOM 2112 N PRO A 131 112.709 -0.593 -15.445 1.00 0.00 N ATOM 2113 CA PRO A 131 113.344 -1.898 -15.697 1.00 0.00 C ATOM 2114 C PRO A 131 114.116 -1.873 -17.019 1.00 0.00 C ATOM 2115 O PRO A 131 114.026 -0.933 -17.784 1.00 0.00 O ATOM 2116 CB PRO A 131 112.159 -2.865 -15.773 1.00 0.00 C ATOM 2117 CG PRO A 131 110.920 -2.008 -16.128 1.00 0.00 C ATOM 2118 CD PRO A 131 111.259 -0.559 -15.732 1.00 0.00 C ATOM 0 HA PRO A 131 114.067 -2.178 -14.931 1.00 0.00 H new ATOM 0 HB2 PRO A 131 112.331 -3.632 -16.529 1.00 0.00 H new ATOM 0 HB3 PRO A 131 112.016 -3.380 -14.823 1.00 0.00 H new ATOM 0 HG2 PRO A 131 110.694 -2.076 -17.192 1.00 0.00 H new ATOM 0 HG3 PRO A 131 110.039 -2.360 -15.592 1.00 0.00 H new ATOM 0 HD2 PRO A 131 111.028 0.139 -16.537 1.00 0.00 H new ATOM 0 HD3 PRO A 131 110.688 -0.240 -14.860 1.00 0.00 H new ATOM 2126 N GLU A 132 114.876 -2.898 -17.292 1.00 0.00 N ATOM 2127 CA GLU A 132 115.655 -2.934 -18.562 1.00 0.00 C ATOM 2128 C GLU A 132 114.727 -2.623 -19.739 1.00 0.00 C ATOM 2129 O GLU A 132 113.613 -3.104 -19.807 1.00 0.00 O ATOM 2130 CB GLU A 132 116.264 -4.325 -18.749 1.00 0.00 C ATOM 2131 CG GLU A 132 116.968 -4.752 -17.459 1.00 0.00 C ATOM 2132 CD GLU A 132 116.155 -5.853 -16.775 1.00 0.00 C ATOM 2133 OE1 GLU A 132 114.945 -5.854 -16.934 1.00 0.00 O ATOM 2134 OE2 GLU A 132 116.756 -6.677 -16.106 1.00 0.00 O ATOM 0 H GLU A 132 114.991 -3.713 -16.690 1.00 0.00 H new ATOM 0 HA GLU A 132 116.451 -2.191 -18.520 1.00 0.00 H new ATOM 0 HB2 GLU A 132 115.485 -5.043 -19.006 1.00 0.00 H new ATOM 0 HB3 GLU A 132 116.973 -4.315 -19.577 1.00 0.00 H new ATOM 0 HG2 GLU A 132 117.972 -5.112 -17.682 1.00 0.00 H new ATOM 0 HG3 GLU A 132 117.077 -3.897 -16.791 1.00 0.00 H new ATOM 2141 N SER A 133 115.178 -1.823 -20.667 1.00 0.00 N ATOM 2142 CA SER A 133 114.321 -1.485 -21.838 1.00 0.00 C ATOM 2143 C SER A 133 114.579 -2.490 -22.964 1.00 0.00 C ATOM 2144 O SER A 133 113.865 -2.532 -23.946 1.00 0.00 O ATOM 2145 CB SER A 133 114.658 -0.076 -22.326 1.00 0.00 C ATOM 2146 OG SER A 133 114.042 0.877 -21.470 1.00 0.00 O ATOM 0 H SER A 133 116.101 -1.390 -20.665 1.00 0.00 H new ATOM 0 HA SER A 133 113.272 -1.527 -21.546 1.00 0.00 H new ATOM 0 HB2 SER A 133 115.738 0.070 -22.334 1.00 0.00 H new ATOM 0 HB3 SER A 133 114.310 0.060 -23.350 1.00 0.00 H new ATOM 0 HG SER A 133 114.257 1.782 -21.779 1.00 0.00 H new ATOM 2152 N SER A 134 115.594 -3.299 -22.828 1.00 0.00 N ATOM 2153 CA SER A 134 115.897 -4.300 -23.890 1.00 0.00 C ATOM 2154 C SER A 134 116.520 -5.544 -23.254 1.00 0.00 C ATOM 2155 O SER A 134 115.812 -6.239 -22.543 1.00 0.00 O ATOM 2156 CB SER A 134 116.877 -3.696 -24.895 1.00 0.00 C ATOM 2157 OG SER A 134 117.063 -4.604 -25.973 1.00 0.00 O ATOM 2158 OXT SER A 134 117.693 -5.781 -23.487 1.00 0.00 O ATOM 0 H SER A 134 116.226 -3.310 -22.028 1.00 0.00 H new ATOM 0 HA SER A 134 114.976 -4.576 -24.403 1.00 0.00 H new ATOM 0 HB2 SER A 134 116.495 -2.745 -25.267 1.00 0.00 H new ATOM 0 HB3 SER A 134 117.831 -3.488 -24.410 1.00 0.00 H new ATOM 0 HG SER A 134 117.511 -5.412 -25.647 1.00 0.00 H new TER 2164 SER A 134