USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1016 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 122 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 126 GLN :FLIP amide:sc= 0.252 F(o=-2.2,f=0.25) USER MOD Set 2.1: A 47 GLN : amide:sc= -2.26! C(o=-3.7!,f=-3.9!) USER MOD Set 2.2: A 100 MET CE :methyl -135:sc= -1.46 (180deg=-1.18) USER MOD Set 3.1: A 69 CYS SG : rot -41:sc= -5.53! USER MOD Set 3.2: A 107 ASN :FLIP amide:sc= -4.98! C(o=-15!,f=-11!) USER MOD Set 4.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 56 GLN : amide:sc= -3.7! C(o=-3.7!,f=-9.1!) USER MOD Set 5.1: A 52 ASN : amide:sc= -4! C(o=-6.4!,f=-7.8!) USER MOD Set 5.2: A 54 THR OG1 : rot 116:sc= -0.848 USER MOD Set 5.3: A 59 MET CE :methyl 163:sc= -1.51 (180deg=-0.818) USER MOD Set 6.1: A 20 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 98 THR OG1 : rot -130:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= -0.258 (180deg=-1.22) USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.27! USER MOD Single : A 7 SER OG : rot 47:sc= 0.13 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0134 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 50:sc= -0.797 USER MOD Single : A 16 ASN :FLIP amide:sc= -2.39 F(o=-6.2!,f=-2.4) USER MOD Single : A 27 THR OG1 : rot -110:sc= -0.537 USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= -0.0743 (180deg=-0.518) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -3.21! C(o=-3.2!,f=-3.9!) USER MOD Single : A 42 ASN : amide:sc= -2.36! X(o=-2.4!,f=-2.3) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= -0.0186 (180deg=-0.253) USER MOD Single : A 46 LYS NZ :NH3+ 153:sc= -0.19 (180deg=-1.4!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 169:sc= -1.66! USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -6.04! C(o=-6!,f=-8.5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= -1.38 F(o=-2.6!,f=-1.4) USER MOD Single : A 72 LYS NZ :NH3+ 142:sc= -1.79! (180deg=-2.46!) USER MOD Single : A 76 LYS NZ :NH3+ -111:sc= -2.47! (180deg=-5.06!) USER MOD Single : A 77 THR OG1 : rot 130:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -156:sc= -0.897 (180deg=-1.58) USER MOD Single : A 81 GLN : amide:sc= -1.45 K(o=-1.5,f=-2.7!) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.945 F(o=-2.6!,f=-0.95) USER MOD Single : A 84 ASN :FLIP amide:sc= -3.56 F(o=-12!,f=-3.6) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot -51:sc= -0.195 USER MOD Single : A 110 LYS NZ :NH3+ 156:sc= -0.233 (180deg=-1.16!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -156:sc= -1.1 (180deg=-1.79) USER MOD Single : A 113 MET CE :methyl -151:sc= -0.248 (180deg=-0.275) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HD1:sc= -4.22! C(o=-4.2!,f=-13!) USER MOD Single : A 129 LYS NZ :NH3+ -162:sc= -1.39 (180deg=-2.45!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.160 -14.208 26.272 1.00 0.00 N ATOM 2 CA MET A 1 -3.537 -14.337 25.716 1.00 0.00 C ATOM 3 C MET A 1 -4.166 -12.953 25.599 1.00 0.00 C ATOM 4 O MET A 1 -5.377 -12.797 25.750 1.00 0.00 O ATOM 5 CB MET A 1 -4.378 -15.217 26.643 1.00 0.00 C ATOM 6 CG MET A 1 -4.100 -14.837 28.098 1.00 0.00 C ATOM 7 SD MET A 1 -5.159 -15.819 29.190 1.00 0.00 S ATOM 8 CE MET A 1 -4.720 -14.989 30.737 1.00 0.00 C ATOM 0 H1 MET A 1 -1.858 -15.122 26.666 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.505 -13.924 25.515 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.155 -13.488 27.023 1.00 0.00 H new ATOM 0 HA MET A 1 -3.495 -14.796 24.728 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.437 -15.091 26.419 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.140 -16.268 26.479 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.051 -15.012 28.337 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.288 -13.774 28.250 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.269 -15.443 31.562 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.649 -15.091 30.914 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.977 -13.932 30.668 1.00 0.00 H new ATOM 18 N GLY A 2 -3.336 -11.951 25.330 1.00 0.00 N ATOM 19 CA GLY A 2 -3.823 -10.583 25.195 1.00 0.00 C ATOM 20 C GLY A 2 -2.698 -9.580 25.425 1.00 0.00 C ATOM 21 O GLY A 2 -2.539 -8.626 24.662 1.00 0.00 O ATOM 0 H GLY A 2 -2.330 -12.059 25.202 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.246 -10.440 24.201 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.625 -10.406 25.911 1.00 0.00 H new ATOM 25 N CYS A 3 -1.921 -9.800 26.479 1.00 0.00 N ATOM 26 CA CYS A 3 -0.813 -8.908 26.800 1.00 0.00 C ATOM 27 C CYS A 3 0.167 -8.829 25.633 1.00 0.00 C ATOM 28 O CYS A 3 0.758 -7.780 25.375 1.00 0.00 O ATOM 29 CB CYS A 3 -0.083 -9.408 28.048 1.00 0.00 C ATOM 30 SG CYS A 3 0.908 -8.064 28.747 1.00 0.00 S ATOM 0 H CYS A 3 -2.036 -10.583 27.122 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.216 -7.913 26.990 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.803 -9.765 28.785 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.558 -10.252 27.794 1.00 0.00 H new ATOM 0 HG CYS A 3 1.527 -8.488 29.809 1.00 0.00 H new ATOM 36 N GLY A 4 0.333 -9.945 24.931 1.00 0.00 N ATOM 37 CA GLY A 4 1.244 -9.991 23.793 1.00 0.00 C ATOM 38 C GLY A 4 0.907 -11.157 22.872 1.00 0.00 C ATOM 39 O GLY A 4 1.414 -12.265 23.044 1.00 0.00 O ATOM 0 H GLY A 4 -0.147 -10.823 25.128 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.185 -9.055 23.237 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.270 -10.087 24.148 1.00 0.00 H new ATOM 43 N ALA A 5 0.045 -10.900 21.892 1.00 0.00 N ATOM 44 CA ALA A 5 -0.353 -11.939 20.948 1.00 0.00 C ATOM 45 C ALA A 5 0.849 -12.425 20.146 1.00 0.00 C ATOM 46 O ALA A 5 0.894 -13.576 19.712 1.00 0.00 O ATOM 47 CB ALA A 5 -1.419 -11.394 19.995 1.00 0.00 C ATOM 0 H ALA A 5 -0.388 -9.990 21.732 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.761 -12.779 21.510 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.712 -12.174 19.293 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.290 -11.075 20.567 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.015 -10.544 19.445 1.00 0.00 H new ATOM 53 N SER A 6 1.822 -11.540 19.952 1.00 0.00 N ATOM 54 CA SER A 6 3.021 -11.891 19.200 1.00 0.00 C ATOM 55 C SER A 6 2.649 -12.525 17.863 1.00 0.00 C ATOM 56 O SER A 6 1.474 -12.596 17.505 1.00 0.00 O ATOM 57 CB SER A 6 3.876 -12.867 20.008 1.00 0.00 C ATOM 58 OG SER A 6 4.938 -13.346 19.192 1.00 0.00 O ATOM 0 H SER A 6 1.804 -10.582 20.302 1.00 0.00 H new ATOM 0 HA SER A 6 3.589 -10.980 19.012 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.276 -12.372 20.893 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.266 -13.700 20.357 1.00 0.00 H new ATOM 0 HG SER A 6 5.490 -13.971 19.707 1.00 0.00 H new ATOM 64 N SER A 7 3.659 -12.984 17.130 1.00 0.00 N ATOM 65 CA SER A 7 3.426 -13.611 15.834 1.00 0.00 C ATOM 66 C SER A 7 2.417 -12.804 15.023 1.00 0.00 C ATOM 67 O SER A 7 1.270 -13.217 14.855 1.00 0.00 O ATOM 68 CB SER A 7 2.905 -15.034 16.028 1.00 0.00 C ATOM 69 OG SER A 7 1.871 -15.027 17.004 1.00 0.00 O ATOM 0 H SER A 7 4.639 -12.934 17.409 1.00 0.00 H new ATOM 0 HA SER A 7 4.371 -13.642 15.291 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.527 -15.427 15.084 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.716 -15.690 16.345 1.00 0.00 H new ATOM 0 HG SER A 7 1.242 -14.301 16.809 1.00 0.00 H new ATOM 75 N GLU A 8 2.854 -11.653 14.522 1.00 0.00 N ATOM 76 CA GLU A 8 1.978 -10.795 13.729 1.00 0.00 C ATOM 77 C GLU A 8 1.530 -11.514 12.461 1.00 0.00 C ATOM 78 O GLU A 8 0.424 -11.293 11.968 1.00 0.00 O ATOM 79 CB GLU A 8 2.711 -9.505 13.356 1.00 0.00 C ATOM 80 CG GLU A 8 3.040 -8.718 14.625 1.00 0.00 C ATOM 81 CD GLU A 8 1.754 -8.239 15.289 1.00 0.00 C ATOM 82 OE1 GLU A 8 0.730 -8.244 14.627 1.00 0.00 O ATOM 83 OE2 GLU A 8 1.812 -7.874 16.453 1.00 0.00 O ATOM 0 H GLU A 8 3.800 -11.294 14.649 1.00 0.00 H new ATOM 0 HA GLU A 8 1.098 -10.553 14.325 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.627 -9.739 12.813 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.092 -8.902 12.692 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.604 -9.345 15.316 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.672 -7.865 14.380 1.00 0.00 H new ATOM 90 N ASN A 9 2.397 -12.375 11.937 1.00 0.00 N ATOM 91 CA ASN A 9 2.078 -13.122 10.725 1.00 0.00 C ATOM 92 C ASN A 9 1.712 -12.170 9.590 1.00 0.00 C ATOM 93 O ASN A 9 0.738 -12.392 8.870 1.00 0.00 O ATOM 94 CB ASN A 9 0.912 -14.076 10.989 1.00 0.00 C ATOM 95 CG ASN A 9 1.277 -15.048 12.106 1.00 0.00 C ATOM 96 OD1 ASN A 9 2.452 -15.360 12.298 1.00 0.00 O ATOM 97 ND2 ASN A 9 0.334 -15.547 12.857 1.00 0.00 N ATOM 0 H ASN A 9 3.318 -12.572 12.328 1.00 0.00 H new ATOM 0 HA ASN A 9 2.957 -13.697 10.434 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.023 -13.509 11.265 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.669 -14.627 10.081 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.569 -16.198 13.606 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.639 -15.286 12.695 1.00 0.00 H new ATOM 104 N SER A 10 2.498 -11.110 9.437 1.00 0.00 N ATOM 105 CA SER A 10 2.246 -10.130 8.386 1.00 0.00 C ATOM 106 C SER A 10 2.555 -10.723 7.015 1.00 0.00 C ATOM 107 O SER A 10 3.285 -11.707 6.904 1.00 0.00 O ATOM 108 CB SER A 10 3.110 -8.888 8.612 1.00 0.00 C ATOM 109 OG SER A 10 4.462 -9.192 8.294 1.00 0.00 O ATOM 0 H SER A 10 3.309 -10.908 10.022 1.00 0.00 H new ATOM 0 HA SER A 10 1.193 -9.851 8.420 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.754 -8.066 7.991 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.033 -8.561 9.649 1.00 0.00 H new ATOM 0 HG SER A 10 5.018 -8.398 8.436 1.00 0.00 H new ATOM 115 N SER A 11 1.995 -10.116 5.973 1.00 0.00 N ATOM 116 CA SER A 11 2.216 -10.591 4.614 1.00 0.00 C ATOM 117 C SER A 11 2.192 -9.427 3.629 1.00 0.00 C ATOM 118 O SER A 11 1.718 -8.338 3.952 1.00 0.00 O ATOM 119 CB SER A 11 1.140 -11.607 4.232 1.00 0.00 C ATOM 120 OG SER A 11 1.208 -12.718 5.118 1.00 0.00 O ATOM 0 H SER A 11 1.388 -9.299 6.044 1.00 0.00 H new ATOM 0 HA SER A 11 3.195 -11.068 4.572 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.154 -11.146 4.283 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.284 -11.938 3.203 1.00 0.00 H new ATOM 0 HG SER A 11 0.518 -13.371 4.877 1.00 0.00 H new ATOM 126 N VAL A 12 2.704 -9.665 2.425 1.00 0.00 N ATOM 127 CA VAL A 12 2.734 -8.627 1.401 1.00 0.00 C ATOM 128 C VAL A 12 1.999 -9.092 0.148 1.00 0.00 C ATOM 129 O VAL A 12 2.133 -10.241 -0.272 1.00 0.00 O ATOM 130 CB VAL A 12 4.182 -8.284 1.048 1.00 0.00 C ATOM 131 CG1 VAL A 12 4.212 -7.017 0.191 1.00 0.00 C ATOM 132 CG2 VAL A 12 4.976 -8.047 2.334 1.00 0.00 C ATOM 0 H VAL A 12 3.100 -10.559 2.136 1.00 0.00 H new ATOM 0 HA VAL A 12 2.237 -7.740 1.793 1.00 0.00 H new ATOM 0 HB VAL A 12 4.626 -9.110 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.244 -6.772 -0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.645 -7.184 -0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.769 -6.191 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.008 -7.802 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.531 -7.221 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.955 -8.949 2.946 1.00 0.00 H new ATOM 142 N THR A 13 1.223 -8.191 -0.446 1.00 0.00 N ATOM 143 CA THR A 13 0.475 -8.519 -1.655 1.00 0.00 C ATOM 144 C THR A 13 0.556 -7.380 -2.664 1.00 0.00 C ATOM 145 O THR A 13 0.572 -6.207 -2.291 1.00 0.00 O ATOM 146 CB THR A 13 -0.990 -8.789 -1.304 1.00 0.00 C ATOM 147 OG1 THR A 13 -1.648 -9.354 -2.430 1.00 0.00 O ATOM 148 CG2 THR A 13 -1.673 -7.477 -0.916 1.00 0.00 C ATOM 0 H THR A 13 1.096 -7.235 -0.113 1.00 0.00 H new ATOM 0 HA THR A 13 0.914 -9.412 -2.099 1.00 0.00 H new ATOM 0 HB THR A 13 -1.042 -9.484 -0.466 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.586 -9.529 -2.207 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.716 -7.670 -0.666 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.167 -7.045 -0.053 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.623 -6.780 -1.752 1.00 0.00 H new ATOM 156 N TYR A 14 0.605 -7.733 -3.945 1.00 0.00 N ATOM 157 CA TYR A 14 0.678 -6.732 -5.002 1.00 0.00 C ATOM 158 C TYR A 14 -0.339 -7.036 -6.096 1.00 0.00 C ATOM 159 O TYR A 14 -0.793 -8.173 -6.235 1.00 0.00 O ATOM 160 CB TYR A 14 2.085 -6.709 -5.603 1.00 0.00 C ATOM 161 CG TYR A 14 3.077 -6.283 -4.547 1.00 0.00 C ATOM 162 CD1 TYR A 14 3.003 -4.999 -3.995 1.00 0.00 C ATOM 163 CD2 TYR A 14 4.072 -7.172 -4.122 1.00 0.00 C ATOM 164 CE1 TYR A 14 3.923 -4.604 -3.017 1.00 0.00 C ATOM 165 CE2 TYR A 14 4.992 -6.778 -3.144 1.00 0.00 C ATOM 166 CZ TYR A 14 4.918 -5.493 -2.591 1.00 0.00 C ATOM 167 OH TYR A 14 5.824 -5.104 -1.627 1.00 0.00 O ATOM 0 H TYR A 14 0.596 -8.698 -4.274 1.00 0.00 H new ATOM 0 HA TYR A 14 0.452 -5.757 -4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.345 -7.696 -5.984 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.120 -6.022 -6.448 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.236 -4.313 -4.324 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.129 -8.162 -4.549 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.866 -3.613 -2.591 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.759 -7.464 -2.816 1.00 0.00 H new ATOM 0 HH TYR A 14 5.344 -4.721 -0.863 1.00 0.00 H new ATOM 177 N VAL A 15 -0.696 -6.016 -6.869 1.00 0.00 N ATOM 178 CA VAL A 15 -1.676 -6.186 -7.936 1.00 0.00 C ATOM 179 C VAL A 15 -1.249 -5.421 -9.184 1.00 0.00 C ATOM 180 O VAL A 15 -1.087 -6.004 -10.256 1.00 0.00 O ATOM 181 CB VAL A 15 -3.044 -5.685 -7.472 1.00 0.00 C ATOM 182 CG1 VAL A 15 -2.859 -4.611 -6.398 1.00 0.00 C ATOM 183 CG2 VAL A 15 -3.798 -5.089 -8.662 1.00 0.00 C ATOM 0 H VAL A 15 -0.325 -5.070 -6.778 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.740 -7.247 -8.179 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.614 -6.517 -7.058 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.835 -4.255 -6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.321 -5.034 -5.549 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.289 -3.778 -6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.774 -4.731 -8.332 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.227 -4.257 -9.075 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.931 -5.853 -9.428 1.00 0.00 H new ATOM 193 N ASN A 16 -1.070 -4.112 -9.037 1.00 0.00 N ATOM 194 CA ASN A 16 -0.677 -3.274 -10.165 1.00 0.00 C ATOM 195 C ASN A 16 0.710 -3.664 -10.667 1.00 0.00 C ATOM 196 O ASN A 16 1.033 -3.467 -11.838 1.00 0.00 O ATOM 197 CB ASN A 16 -0.676 -1.803 -9.745 1.00 0.00 C ATOM 198 CG ASN A 16 -2.085 -1.372 -9.350 1.00 0.00 C ATOM 199 OD1 ASN A 16 -2.281 -0.788 -8.201 1.00 0.00 O flip ATOM 200 ND2 ASN A 16 -3.032 -1.575 -10.110 1.00 0.00 N flip ATOM 0 H ASN A 16 -1.189 -3.612 -8.156 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.396 -3.422 -10.971 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.006 -1.656 -8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.313 -1.183 -10.565 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.876 -2.032 -11.008 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.973 -1.286 -9.841 1.00 0.00 H new ATOM 207 N GLY A 17 1.524 -4.216 -9.773 1.00 0.00 N ATOM 208 CA GLY A 17 2.874 -4.629 -10.139 1.00 0.00 C ATOM 209 C GLY A 17 3.710 -4.920 -8.897 1.00 0.00 C ATOM 210 O GLY A 17 3.403 -4.443 -7.805 1.00 0.00 O ATOM 0 H GLY A 17 1.276 -4.387 -8.799 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.829 -5.518 -10.768 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.351 -3.846 -10.728 1.00 0.00 H new ATOM 214 N ARG A 18 4.768 -5.705 -9.073 1.00 0.00 N ATOM 215 CA ARG A 18 5.641 -6.054 -7.959 1.00 0.00 C ATOM 216 C ARG A 18 6.767 -5.033 -7.822 1.00 0.00 C ATOM 217 O ARG A 18 7.147 -4.378 -8.794 1.00 0.00 O ATOM 218 CB ARG A 18 6.235 -7.446 -8.176 1.00 0.00 C ATOM 219 CG ARG A 18 5.218 -8.508 -7.751 1.00 0.00 C ATOM 220 CD ARG A 18 3.886 -8.251 -8.459 1.00 0.00 C ATOM 221 NE ARG A 18 4.108 -8.014 -9.882 1.00 0.00 N ATOM 222 CZ ARG A 18 4.396 -9.013 -10.708 1.00 0.00 C ATOM 223 NH1 ARG A 18 4.483 -10.233 -10.252 1.00 0.00 N ATOM 224 NH2 ARG A 18 4.591 -8.777 -11.976 1.00 0.00 N ATOM 0 H ARG A 18 5.040 -6.109 -9.969 1.00 0.00 H new ATOM 0 HA ARG A 18 5.049 -6.052 -7.043 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.500 -7.580 -9.225 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.153 -7.555 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.589 -9.502 -8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.079 -8.482 -6.670 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.224 -9.106 -8.324 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.389 -7.390 -8.013 1.00 0.00 H new ATOM 0 HE ARG A 18 4.041 -7.064 -10.248 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.330 -10.419 -9.261 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.704 -11.000 -10.887 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.522 -7.824 -12.334 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.812 -9.545 -12.610 1.00 0.00 H new ATOM 238 N PRO A 19 7.298 -4.889 -6.639 1.00 0.00 N ATOM 239 CA PRO A 19 8.397 -3.923 -6.359 1.00 0.00 C ATOM 240 C PRO A 19 9.749 -4.425 -6.861 1.00 0.00 C ATOM 241 O PRO A 19 10.124 -5.572 -6.621 1.00 0.00 O ATOM 242 CB PRO A 19 8.388 -3.803 -4.835 1.00 0.00 C ATOM 243 CG PRO A 19 7.852 -5.105 -4.335 1.00 0.00 C ATOM 244 CD PRO A 19 6.906 -5.644 -5.412 1.00 0.00 C ATOM 0 HA PRO A 19 8.247 -2.971 -6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.391 -3.618 -4.450 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.763 -2.971 -4.511 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.663 -5.809 -4.147 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.324 -4.968 -3.392 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.026 -6.719 -5.548 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.862 -5.470 -5.151 1.00 0.00 H new ATOM 252 N THR A 20 10.475 -3.556 -7.556 1.00 0.00 N ATOM 253 CA THR A 20 11.788 -3.918 -8.080 1.00 0.00 C ATOM 254 C THR A 20 12.780 -4.125 -6.940 1.00 0.00 C ATOM 255 O THR A 20 13.707 -4.928 -7.048 1.00 0.00 O ATOM 256 CB THR A 20 12.299 -2.817 -9.013 1.00 0.00 C ATOM 257 OG1 THR A 20 11.343 -2.584 -10.037 1.00 0.00 O ATOM 258 CG2 THR A 20 13.625 -3.251 -9.638 1.00 0.00 C ATOM 0 H THR A 20 10.180 -2.603 -7.769 1.00 0.00 H new ATOM 0 HA THR A 20 11.693 -4.850 -8.637 1.00 0.00 H new ATOM 0 HB THR A 20 12.452 -1.900 -8.444 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.668 -1.878 -10.634 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.988 -2.467 -10.302 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.358 -3.428 -8.851 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.476 -4.168 -10.208 1.00 0.00 H new ATOM 266 N PHE A 21 12.578 -3.395 -5.848 1.00 0.00 N ATOM 267 CA PHE A 21 13.462 -3.503 -4.693 1.00 0.00 C ATOM 268 C PHE A 21 12.779 -4.272 -3.567 1.00 0.00 C ATOM 269 O PHE A 21 11.638 -3.980 -3.207 1.00 0.00 O ATOM 270 CB PHE A 21 13.850 -2.108 -4.201 1.00 0.00 C ATOM 271 CG PHE A 21 14.884 -2.227 -3.107 1.00 0.00 C ATOM 272 CD1 PHE A 21 16.239 -2.360 -3.435 1.00 0.00 C ATOM 273 CD2 PHE A 21 14.488 -2.204 -1.764 1.00 0.00 C ATOM 274 CE1 PHE A 21 17.197 -2.471 -2.421 1.00 0.00 C ATOM 275 CE2 PHE A 21 15.446 -2.313 -0.750 1.00 0.00 C ATOM 276 CZ PHE A 21 16.801 -2.447 -1.078 1.00 0.00 C ATOM 0 H PHE A 21 11.815 -2.727 -5.739 1.00 0.00 H new ATOM 0 HA PHE A 21 14.359 -4.044 -4.994 1.00 0.00 H new ATOM 0 HB2 PHE A 21 14.246 -1.517 -5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.970 -1.585 -3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.545 -2.377 -4.471 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.443 -2.102 -1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.242 -2.575 -2.674 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.141 -2.294 0.286 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.540 -2.532 -0.295 1.00 0.00 H new ATOM 286 N VAL A 22 13.483 -5.254 -3.014 1.00 0.00 N ATOM 287 CA VAL A 22 12.931 -6.059 -1.930 1.00 0.00 C ATOM 288 C VAL A 22 13.928 -6.167 -0.781 1.00 0.00 C ATOM 289 O VAL A 22 15.080 -6.553 -0.980 1.00 0.00 O ATOM 290 CB VAL A 22 12.587 -7.460 -2.442 1.00 0.00 C ATOM 291 CG1 VAL A 22 11.346 -7.980 -1.714 1.00 0.00 C ATOM 292 CG2 VAL A 22 12.306 -7.396 -3.945 1.00 0.00 C ATOM 0 H VAL A 22 14.429 -5.510 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 22 12.026 -5.572 -1.567 1.00 0.00 H new ATOM 0 HB VAL A 22 13.425 -8.132 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.101 -8.978 -2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.544 -8.024 -0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.507 -7.310 -1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.061 -8.393 -4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.468 -6.725 -4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.189 -7.025 -4.465 1.00 0.00 H new ATOM 302 N GLY A 23 13.478 -5.823 0.421 1.00 0.00 N ATOM 303 CA GLY A 23 14.341 -5.884 1.595 1.00 0.00 C ATOM 304 C GLY A 23 13.963 -7.058 2.490 1.00 0.00 C ATOM 305 O GLY A 23 14.147 -8.217 2.120 1.00 0.00 O ATOM 0 H GLY A 23 12.528 -5.501 0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.381 -5.981 1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.263 -4.953 2.157 1.00 0.00 H new ATOM 309 N GLU A 24 13.435 -6.750 3.670 1.00 0.00 N ATOM 310 CA GLU A 24 13.033 -7.791 4.611 1.00 0.00 C ATOM 311 C GLU A 24 11.759 -7.389 5.345 1.00 0.00 C ATOM 312 O GLU A 24 10.743 -8.081 5.268 1.00 0.00 O ATOM 313 CB GLU A 24 14.152 -8.038 5.624 1.00 0.00 C ATOM 314 CG GLU A 24 13.804 -9.255 6.483 1.00 0.00 C ATOM 315 CD GLU A 24 14.895 -9.488 7.523 1.00 0.00 C ATOM 316 OE1 GLU A 24 15.868 -8.753 7.507 1.00 0.00 O ATOM 317 OE2 GLU A 24 14.741 -10.398 8.321 1.00 0.00 O ATOM 0 H GLU A 24 13.276 -5.797 3.996 1.00 0.00 H new ATOM 0 HA GLU A 24 12.841 -8.706 4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.096 -8.204 5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.285 -7.160 6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.845 -9.099 6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.697 -10.137 5.852 1.00 0.00 H new ATOM 324 N GLU A 25 11.819 -6.267 6.055 1.00 0.00 N ATOM 325 CA GLU A 25 10.658 -5.776 6.788 1.00 0.00 C ATOM 326 C GLU A 25 9.758 -4.950 5.874 1.00 0.00 C ATOM 327 O GLU A 25 10.116 -3.847 5.465 1.00 0.00 O ATOM 328 CB GLU A 25 11.111 -4.917 7.970 1.00 0.00 C ATOM 329 CG GLU A 25 9.904 -4.571 8.842 1.00 0.00 C ATOM 330 CD GLU A 25 10.331 -3.657 9.986 1.00 0.00 C ATOM 331 OE1 GLU A 25 11.500 -3.313 10.036 1.00 0.00 O ATOM 332 OE2 GLU A 25 9.483 -3.314 10.792 1.00 0.00 O ATOM 0 H GLU A 25 12.652 -5.685 6.138 1.00 0.00 H new ATOM 0 HA GLU A 25 10.095 -6.634 7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.856 -5.453 8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.586 -4.005 7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.139 -4.081 8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.460 -5.483 9.241 1.00 0.00 H new ATOM 339 N VAL A 26 8.587 -5.494 5.557 1.00 0.00 N ATOM 340 CA VAL A 26 7.649 -4.806 4.678 1.00 0.00 C ATOM 341 C VAL A 26 6.420 -4.350 5.456 1.00 0.00 C ATOM 342 O VAL A 26 5.980 -5.021 6.389 1.00 0.00 O ATOM 343 CB VAL A 26 7.221 -5.735 3.542 1.00 0.00 C ATOM 344 CG1 VAL A 26 6.595 -4.911 2.415 1.00 0.00 C ATOM 345 CG2 VAL A 26 8.445 -6.482 3.005 1.00 0.00 C ATOM 0 H VAL A 26 8.267 -6.402 5.893 1.00 0.00 H new ATOM 0 HA VAL A 26 8.146 -3.930 4.262 1.00 0.00 H new ATOM 0 HB VAL A 26 6.491 -6.452 3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.290 -5.574 1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.724 -4.378 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.325 -4.193 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.140 -7.145 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.175 -5.764 2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.893 -7.070 3.806 1.00 0.00 H new ATOM 355 N THR A 27 5.870 -3.205 5.065 1.00 0.00 N ATOM 356 CA THR A 27 4.690 -2.667 5.732 1.00 0.00 C ATOM 357 C THR A 27 3.813 -1.912 4.739 1.00 0.00 C ATOM 358 O THR A 27 4.206 -1.689 3.595 1.00 0.00 O ATOM 359 CB THR A 27 5.113 -1.727 6.864 1.00 0.00 C ATOM 360 OG1 THR A 27 6.456 -1.311 6.654 1.00 0.00 O ATOM 361 CG2 THR A 27 5.006 -2.455 8.204 1.00 0.00 C ATOM 0 H THR A 27 6.220 -2.635 4.295 1.00 0.00 H new ATOM 0 HA THR A 27 4.118 -3.497 6.146 1.00 0.00 H new ATOM 0 HB THR A 27 4.459 -0.855 6.876 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.035 -1.721 7.330 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.308 -1.784 9.008 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.976 -2.773 8.364 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.658 -3.328 8.197 1.00 0.00 H new ATOM 369 N LYS A 28 2.623 -1.522 5.186 1.00 0.00 N ATOM 370 CA LYS A 28 1.700 -0.792 4.325 1.00 0.00 C ATOM 371 C LYS A 28 1.235 0.492 5.006 1.00 0.00 C ATOM 372 O LYS A 28 0.366 0.465 5.877 1.00 0.00 O ATOM 373 CB LYS A 28 0.488 -1.666 3.997 1.00 0.00 C ATOM 374 CG LYS A 28 0.067 -2.443 5.247 1.00 0.00 C ATOM 375 CD LYS A 28 -1.121 -3.348 4.910 1.00 0.00 C ATOM 376 CE LYS A 28 -1.629 -4.021 6.186 1.00 0.00 C ATOM 377 NZ LYS A 28 -0.515 -4.775 6.828 1.00 0.00 N ATOM 0 H LYS A 28 2.278 -1.697 6.130 1.00 0.00 H new ATOM 0 HA LYS A 28 2.220 -0.533 3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.337 -1.046 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.732 -2.358 3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.901 -3.041 5.614 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.204 -1.751 6.044 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.919 -2.763 4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.822 -4.103 4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.019 -3.271 6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.451 -4.697 5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.906 -5.477 7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.042 -5.261 6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.097 -4.114 7.348 1.00 0.00 H new ATOM 391 N GLY A 29 1.820 1.615 4.601 1.00 0.00 N ATOM 392 CA GLY A 29 1.451 2.905 5.172 1.00 0.00 C ATOM 393 C GLY A 29 -0.058 3.006 5.363 1.00 0.00 C ATOM 394 O GLY A 29 -0.551 3.028 6.490 1.00 0.00 O ATOM 0 H GLY A 29 2.546 1.658 3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.952 3.039 6.131 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.793 3.707 4.518 1.00 0.00 H new ATOM 398 N PHE A 30 -0.786 3.068 4.253 1.00 0.00 N ATOM 399 CA PHE A 30 -2.241 3.158 4.309 1.00 0.00 C ATOM 400 C PHE A 30 -2.847 1.811 4.684 1.00 0.00 C ATOM 401 O PHE A 30 -2.526 0.785 4.084 1.00 0.00 O ATOM 402 CB PHE A 30 -2.788 3.608 2.953 1.00 0.00 C ATOM 403 CG PHE A 30 -2.127 4.904 2.548 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.686 6.126 2.941 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.957 4.883 1.780 1.00 0.00 C ATOM 406 CE1 PHE A 30 -2.073 7.327 2.565 1.00 0.00 C ATOM 407 CE2 PHE A 30 -0.345 6.084 1.405 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.903 7.307 1.796 1.00 0.00 C ATOM 0 H PHE A 30 -0.396 3.058 3.310 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.513 3.889 5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.601 2.842 2.201 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.868 3.741 3.011 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.589 6.142 3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.527 3.940 1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.503 8.270 2.868 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.558 6.068 0.814 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.432 8.234 1.505 1.00 0.00 H new ATOM 418 N GLU A 31 -3.727 1.821 5.681 1.00 0.00 N ATOM 419 CA GLU A 31 -4.376 0.594 6.127 1.00 0.00 C ATOM 420 C GLU A 31 -5.620 0.310 5.291 1.00 0.00 C ATOM 421 O GLU A 31 -6.384 -0.608 5.590 1.00 0.00 O ATOM 422 CB GLU A 31 -4.766 0.717 7.602 1.00 0.00 C ATOM 423 CG GLU A 31 -3.515 0.983 8.441 1.00 0.00 C ATOM 424 CD GLU A 31 -2.578 -0.219 8.374 1.00 0.00 C ATOM 425 OE1 GLU A 31 -3.043 -1.290 8.018 1.00 0.00 O ATOM 426 OE2 GLU A 31 -1.409 -0.051 8.678 1.00 0.00 O ATOM 0 H GLU A 31 -4.005 2.659 6.192 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.675 -0.231 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.483 1.527 7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.254 -0.198 7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.004 1.874 8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.796 1.179 9.476 1.00 0.00 H new ATOM 433 N LYS A 32 -5.816 1.102 4.243 1.00 0.00 N ATOM 434 CA LYS A 32 -6.975 0.931 3.374 1.00 0.00 C ATOM 435 C LYS A 32 -6.567 0.276 2.059 1.00 0.00 C ATOM 436 O LYS A 32 -5.402 0.331 1.663 1.00 0.00 O ATOM 437 CB LYS A 32 -7.622 2.289 3.091 1.00 0.00 C ATOM 438 CG LYS A 32 -9.074 2.081 2.655 1.00 0.00 C ATOM 439 CD LYS A 32 -9.626 3.388 2.082 1.00 0.00 C ATOM 440 CE LYS A 32 -9.713 4.436 3.194 1.00 0.00 C ATOM 441 NZ LYS A 32 -10.624 5.536 2.769 1.00 0.00 N ATOM 0 H LYS A 32 -5.193 1.864 3.975 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.693 0.286 3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.585 2.914 3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.068 2.812 2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.131 1.291 1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.678 1.760 3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.982 3.747 1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.612 3.220 1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.082 3.978 4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.722 4.834 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.684 6.249 3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.254 5.979 1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.571 5.150 2.582 1.00 0.00 H new ATOM 455 N ASP A 33 -7.531 -0.343 1.387 1.00 0.00 N ATOM 456 CA ASP A 33 -7.260 -0.999 0.113 1.00 0.00 C ATOM 457 C ASP A 33 -6.163 -2.046 0.272 1.00 0.00 C ATOM 458 O ASP A 33 -5.742 -2.353 1.388 1.00 0.00 O ATOM 459 CB ASP A 33 -6.832 0.038 -0.927 1.00 0.00 C ATOM 460 CG ASP A 33 -7.978 1.007 -1.200 1.00 0.00 C ATOM 461 OD1 ASP A 33 -9.091 0.705 -0.800 1.00 0.00 O ATOM 462 OD2 ASP A 33 -7.727 2.035 -1.806 1.00 0.00 O ATOM 0 H ASP A 33 -8.500 -0.404 1.700 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.172 -1.494 -0.221 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.960 0.585 -0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.539 -0.461 -1.851 1.00 0.00 H new ATOM 467 N ASN A 34 -5.704 -2.591 -0.850 1.00 0.00 N ATOM 468 CA ASN A 34 -4.658 -3.608 -0.821 1.00 0.00 C ATOM 469 C ASN A 34 -3.477 -3.139 0.021 1.00 0.00 C ATOM 470 O ASN A 34 -2.808 -3.942 0.671 1.00 0.00 O ATOM 471 CB ASN A 34 -4.185 -3.911 -2.244 1.00 0.00 C ATOM 472 CG ASN A 34 -5.337 -4.475 -3.069 1.00 0.00 C ATOM 473 OD1 ASN A 34 -5.154 -4.823 -4.235 1.00 0.00 O ATOM 474 ND2 ASN A 34 -6.520 -4.586 -2.529 1.00 0.00 N ATOM 0 H ASN A 34 -6.036 -2.348 -1.783 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.070 -4.513 -0.375 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.804 -3.002 -2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.362 -4.625 -2.218 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.296 -4.962 -3.074 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.668 -4.297 -1.562 1.00 0.00 H new ATOM 481 N GLY A 35 -3.226 -1.833 0.005 1.00 0.00 N ATOM 482 CA GLY A 35 -2.121 -1.268 0.770 1.00 0.00 C ATOM 483 C GLY A 35 -1.660 0.053 0.165 1.00 0.00 C ATOM 484 O GLY A 35 -1.076 0.892 0.852 1.00 0.00 O ATOM 0 H GLY A 35 -3.769 -1.151 -0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.431 -1.111 1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.290 -1.973 0.791 1.00 0.00 H new ATOM 488 N LEU A 36 -1.926 0.232 -1.124 1.00 0.00 N ATOM 489 CA LEU A 36 -1.538 1.459 -1.811 1.00 0.00 C ATOM 490 C LEU A 36 -0.023 1.634 -1.782 1.00 0.00 C ATOM 491 O LEU A 36 0.661 1.365 -2.769 1.00 0.00 O ATOM 492 CB LEU A 36 -2.207 2.663 -1.146 1.00 0.00 C ATOM 493 CG LEU A 36 -3.693 2.369 -0.933 1.00 0.00 C ATOM 494 CD1 LEU A 36 -4.381 3.610 -0.360 1.00 0.00 C ATOM 495 CD2 LEU A 36 -4.336 2.003 -2.272 1.00 0.00 C ATOM 0 H LEU A 36 -2.405 -0.451 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.863 1.391 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.727 2.877 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.087 3.549 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.803 1.538 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.440 3.401 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.922 3.873 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.271 4.441 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.395 1.793 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.226 2.835 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.846 1.120 -2.682 1.00 0.00 H new ATOM 507 N LEU A 37 0.494 2.088 -0.645 1.00 0.00 N ATOM 508 CA LEU A 37 1.929 2.306 -0.503 1.00 0.00 C ATOM 509 C LEU A 37 2.545 1.250 0.408 1.00 0.00 C ATOM 510 O LEU A 37 2.090 1.046 1.534 1.00 0.00 O ATOM 511 CB LEU A 37 2.193 3.698 0.075 1.00 0.00 C ATOM 512 CG LEU A 37 3.701 3.922 0.196 1.00 0.00 C ATOM 513 CD1 LEU A 37 4.344 3.831 -1.189 1.00 0.00 C ATOM 514 CD2 LEU A 37 3.965 5.308 0.789 1.00 0.00 C ATOM 0 H LEU A 37 -0.054 2.311 0.186 1.00 0.00 H new ATOM 0 HA LEU A 37 2.387 2.230 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.752 4.460 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.721 3.793 1.053 1.00 0.00 H new ATOM 0 HG LEU A 37 4.129 3.160 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.419 3.991 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.157 2.844 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.915 4.593 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.040 5.468 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.536 6.070 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.508 5.374 1.776 1.00 0.00 H new ATOM 526 N PHE A 38 3.583 0.583 -0.084 1.00 0.00 N ATOM 527 CA PHE A 38 4.266 -0.438 0.702 1.00 0.00 C ATOM 528 C PHE A 38 5.677 0.017 1.059 1.00 0.00 C ATOM 529 O PHE A 38 6.460 0.384 0.183 1.00 0.00 O ATOM 530 CB PHE A 38 4.333 -1.746 -0.089 1.00 0.00 C ATOM 531 CG PHE A 38 2.934 -2.234 -0.375 1.00 0.00 C ATOM 532 CD1 PHE A 38 2.291 -3.086 0.531 1.00 0.00 C ATOM 533 CD2 PHE A 38 2.279 -1.834 -1.546 1.00 0.00 C ATOM 534 CE1 PHE A 38 0.993 -3.538 0.265 1.00 0.00 C ATOM 535 CE2 PHE A 38 0.981 -2.287 -1.811 1.00 0.00 C ATOM 536 CZ PHE A 38 0.337 -3.138 -0.905 1.00 0.00 C ATOM 0 H PHE A 38 3.968 0.729 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 38 3.705 -0.599 1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.874 -1.591 -1.023 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.883 -2.498 0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.796 -3.394 1.434 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.775 -1.176 -2.245 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.497 -4.196 0.963 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.476 -1.980 -2.715 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.665 -3.486 -1.109 1.00 0.00 H new ATOM 546 N ARG A 39 5.994 -0.010 2.349 1.00 0.00 N ATOM 547 CA ARG A 39 7.316 0.398 2.809 1.00 0.00 C ATOM 548 C ARG A 39 8.283 -0.782 2.781 1.00 0.00 C ATOM 549 O ARG A 39 8.007 -1.836 3.355 1.00 0.00 O ATOM 550 CB ARG A 39 7.226 0.953 4.231 1.00 0.00 C ATOM 551 CG ARG A 39 8.581 1.536 4.638 1.00 0.00 C ATOM 552 CD ARG A 39 8.486 2.113 6.051 1.00 0.00 C ATOM 553 NE ARG A 39 8.317 1.039 7.023 1.00 0.00 N ATOM 554 CZ ARG A 39 8.132 1.303 8.313 1.00 0.00 C ATOM 555 NH1 ARG A 39 8.101 2.541 8.727 1.00 0.00 N ATOM 556 NH2 ARG A 39 7.984 0.326 9.165 1.00 0.00 N ATOM 0 H ARG A 39 5.359 -0.308 3.090 1.00 0.00 H new ATOM 0 HA ARG A 39 7.689 1.173 2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.456 1.723 4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.935 0.163 4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.348 0.762 4.601 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.880 2.314 3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.387 2.683 6.280 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.646 2.805 6.113 1.00 0.00 H new ATOM 0 HE ARG A 39 8.341 0.069 6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.219 3.305 8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.959 2.744 9.716 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.010 -0.641 8.842 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.842 0.529 10.154 1.00 0.00 H new ATOM 570 N ILE A 40 9.415 -0.596 2.112 1.00 0.00 N ATOM 571 CA ILE A 40 10.415 -1.653 2.012 1.00 0.00 C ATOM 572 C ILE A 40 11.698 -1.243 2.729 1.00 0.00 C ATOM 573 O ILE A 40 12.240 -0.166 2.483 1.00 0.00 O ATOM 574 CB ILE A 40 10.720 -1.947 0.543 1.00 0.00 C ATOM 575 CG1 ILE A 40 9.408 -2.074 -0.234 1.00 0.00 C ATOM 576 CG2 ILE A 40 11.503 -3.256 0.435 1.00 0.00 C ATOM 577 CD1 ILE A 40 9.711 -2.349 -1.707 1.00 0.00 C ATOM 0 H ILE A 40 9.663 0.270 1.634 1.00 0.00 H new ATOM 0 HA ILE A 40 10.018 -2.551 2.485 1.00 0.00 H new ATOM 0 HB ILE A 40 11.314 -1.133 0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.804 -2.881 0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.825 -1.158 -0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.720 -3.465 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.438 -3.168 0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.910 -4.070 0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.776 -2.439 -2.260 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.297 -1.527 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.276 -3.277 -1.795 1.00 0.00 H new ATOM 589 N VAL A 41 12.178 -2.109 3.615 1.00 0.00 N ATOM 590 CA VAL A 41 13.394 -1.821 4.368 1.00 0.00 C ATOM 591 C VAL A 41 14.353 -3.006 4.312 1.00 0.00 C ATOM 592 O VAL A 41 13.973 -4.139 4.608 1.00 0.00 O ATOM 593 CB VAL A 41 13.045 -1.512 5.824 1.00 0.00 C ATOM 594 CG1 VAL A 41 14.313 -1.117 6.581 1.00 0.00 C ATOM 595 CG2 VAL A 41 12.042 -0.356 5.872 1.00 0.00 C ATOM 0 H VAL A 41 11.748 -3.009 3.829 1.00 0.00 H new ATOM 0 HA VAL A 41 13.880 -0.955 3.920 1.00 0.00 H new ATOM 0 HB VAL A 41 12.606 -2.396 6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 41 14.063 -0.897 7.619 1.00 0.00 H new ATOM 0 HG12 VAL A 41 15.028 -1.939 6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.753 -0.233 6.118 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.792 -0.134 6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.482 0.527 5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.137 -0.637 5.333 1.00 0.00 H new ATOM 605 N ASN A 42 15.596 -2.736 3.931 1.00 0.00 N ATOM 606 CA ASN A 42 16.607 -3.786 3.853 1.00 0.00 C ATOM 607 C ASN A 42 17.606 -3.652 4.999 1.00 0.00 C ATOM 608 O ASN A 42 18.492 -2.798 4.965 1.00 0.00 O ATOM 609 CB ASN A 42 17.346 -3.702 2.516 1.00 0.00 C ATOM 610 CG ASN A 42 18.123 -4.990 2.268 1.00 0.00 C ATOM 611 OD1 ASN A 42 19.318 -4.949 1.976 1.00 0.00 O ATOM 612 ND2 ASN A 42 17.512 -6.139 2.366 1.00 0.00 N ATOM 0 H ASN A 42 15.927 -1.807 3.673 1.00 0.00 H new ATOM 0 HA ASN A 42 16.108 -4.752 3.931 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.634 -3.536 1.707 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.028 -2.851 2.521 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.025 -7.005 2.201 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.522 -6.171 2.608 1.00 0.00 H new ATOM 619 N LYS A 43 17.456 -4.501 6.010 1.00 0.00 N ATOM 620 CA LYS A 43 18.343 -4.462 7.166 1.00 0.00 C ATOM 621 C LYS A 43 19.801 -4.573 6.731 1.00 0.00 C ATOM 622 O LYS A 43 20.697 -4.043 7.389 1.00 0.00 O ATOM 623 CB LYS A 43 18.006 -5.608 8.122 1.00 0.00 C ATOM 624 CG LYS A 43 16.581 -5.433 8.647 1.00 0.00 C ATOM 625 CD LYS A 43 16.267 -6.544 9.650 1.00 0.00 C ATOM 626 CE LYS A 43 16.881 -6.196 11.007 1.00 0.00 C ATOM 627 NZ LYS A 43 16.312 -7.091 12.054 1.00 0.00 N ATOM 0 H LYS A 43 16.734 -5.220 6.052 1.00 0.00 H new ATOM 0 HA LYS A 43 18.200 -3.509 7.675 1.00 0.00 H new ATOM 0 HB2 LYS A 43 18.100 -6.564 7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 43 18.712 -5.622 8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.475 -4.458 9.123 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.871 -5.463 7.820 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.188 -6.666 9.748 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.664 -7.494 9.292 1.00 0.00 H new ATOM 0 HE2 LYS A 43 17.965 -6.308 10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.677 -5.154 11.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.729 -6.855 12.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.281 -6.963 12.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.528 -8.081 11.820 1.00 0.00 H new ATOM 641 N LYS A 44 20.031 -5.265 5.621 1.00 0.00 N ATOM 642 CA LYS A 44 21.386 -5.436 5.107 1.00 0.00 C ATOM 643 C LYS A 44 22.060 -4.082 4.909 1.00 0.00 C ATOM 644 O LYS A 44 22.991 -3.731 5.634 1.00 0.00 O ATOM 645 CB LYS A 44 21.347 -6.189 3.776 1.00 0.00 C ATOM 646 CG LYS A 44 22.283 -7.398 3.846 1.00 0.00 C ATOM 647 CD LYS A 44 23.736 -6.920 3.872 1.00 0.00 C ATOM 648 CE LYS A 44 24.257 -6.789 2.439 1.00 0.00 C ATOM 649 NZ LYS A 44 25.507 -5.979 2.437 1.00 0.00 N ATOM 0 H LYS A 44 19.304 -5.713 5.063 1.00 0.00 H new ATOM 0 HA LYS A 44 21.960 -6.011 5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.330 -6.515 3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 44 21.649 -5.528 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 44 22.067 -7.987 4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 44 22.119 -8.048 2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.805 -5.960 4.384 1.00 0.00 H new ATOM 0 HD3 LYS A 44 24.352 -7.625 4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 44 24.450 -7.776 2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 44 23.504 -6.316 1.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 25.861 -5.890 1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 25.308 -5.033 2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 26.225 -6.448 3.025 1.00 0.00 H new ATOM 663 N LYS A 45 21.585 -3.329 3.923 1.00 0.00 N ATOM 664 CA LYS A 45 22.149 -2.014 3.641 1.00 0.00 C ATOM 665 C LYS A 45 21.413 -0.935 4.429 1.00 0.00 C ATOM 666 O LYS A 45 21.787 0.238 4.393 1.00 0.00 O ATOM 667 CB LYS A 45 22.049 -1.714 2.145 1.00 0.00 C ATOM 668 CG LYS A 45 22.897 -2.723 1.366 1.00 0.00 C ATOM 669 CD LYS A 45 22.894 -2.356 -0.119 1.00 0.00 C ATOM 670 CE LYS A 45 23.648 -3.426 -0.911 1.00 0.00 C ATOM 671 NZ LYS A 45 22.827 -4.669 -0.974 1.00 0.00 N ATOM 0 H LYS A 45 20.817 -3.603 3.310 1.00 0.00 H new ATOM 0 HA LYS A 45 23.197 -2.016 3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 45 21.010 -1.769 1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 45 22.393 -0.700 1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 45 23.918 -2.727 1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 45 22.501 -3.729 1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.870 -2.274 -0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 45 23.363 -1.383 -0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 45 23.860 -3.066 -1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 45 24.608 -3.635 -0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 23.176 -5.277 -1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 22.898 -5.178 -0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 21.833 -4.420 -1.153 1.00 0.00 H new ATOM 685 N LYS A 46 20.367 -1.339 5.142 1.00 0.00 N ATOM 686 CA LYS A 46 19.586 -0.398 5.936 1.00 0.00 C ATOM 687 C LYS A 46 19.078 0.750 5.067 1.00 0.00 C ATOM 688 O LYS A 46 18.978 1.889 5.524 1.00 0.00 O ATOM 689 CB LYS A 46 20.440 0.163 7.075 1.00 0.00 C ATOM 690 CG LYS A 46 20.147 -0.612 8.361 1.00 0.00 C ATOM 691 CD LYS A 46 18.879 -0.059 9.014 1.00 0.00 C ATOM 692 CE LYS A 46 18.160 -1.181 9.764 1.00 0.00 C ATOM 693 NZ LYS A 46 19.165 -2.074 10.404 1.00 0.00 N ATOM 0 H LYS A 46 20.042 -2.305 5.186 1.00 0.00 H new ATOM 0 HA LYS A 46 18.730 -0.930 6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.498 0.085 6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.224 1.222 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 46 20.022 -1.672 8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 46 20.989 -0.528 9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 46 19.133 0.748 9.702 1.00 0.00 H new ATOM 0 HD3 LYS A 46 18.222 0.365 8.255 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.497 -0.761 10.520 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.537 -1.752 9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.745 -2.525 11.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.459 -2.807 9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.994 -1.515 10.691 1.00 0.00 H new ATOM 707 N GLN A 47 18.757 0.442 3.814 1.00 0.00 N ATOM 708 CA GLN A 47 18.258 1.459 2.894 1.00 0.00 C ATOM 709 C GLN A 47 16.748 1.330 2.726 1.00 0.00 C ATOM 710 O GLN A 47 16.240 0.256 2.403 1.00 0.00 O ATOM 711 CB GLN A 47 18.942 1.315 1.533 1.00 0.00 C ATOM 712 CG GLN A 47 18.636 -0.066 0.950 1.00 0.00 C ATOM 713 CD GLN A 47 19.630 -0.393 -0.159 1.00 0.00 C ATOM 714 OE1 GLN A 47 19.600 -1.490 -0.717 1.00 0.00 O ATOM 715 NE2 GLN A 47 20.514 0.499 -0.515 1.00 0.00 N ATOM 0 H GLN A 47 18.832 -0.494 3.415 1.00 0.00 H new ATOM 0 HA GLN A 47 18.484 2.442 3.308 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.592 2.093 0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 47 20.019 1.446 1.640 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.691 -0.821 1.734 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.619 -0.087 0.557 1.00 0.00 H new ATOM 0 HE21 GLN A 47 20.537 1.407 -0.051 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.182 0.288 -1.257 1.00 0.00 H new ATOM 724 N TRP A 48 16.037 2.431 2.947 1.00 0.00 N ATOM 725 CA TRP A 48 14.585 2.427 2.822 1.00 0.00 C ATOM 726 C TRP A 48 14.169 2.631 1.369 1.00 0.00 C ATOM 727 O TRP A 48 14.828 3.354 0.620 1.00 0.00 O ATOM 728 CB TRP A 48 13.983 3.536 3.687 1.00 0.00 C ATOM 729 CG TRP A 48 14.125 3.178 5.132 1.00 0.00 C ATOM 730 CD1 TRP A 48 14.941 2.215 5.618 1.00 0.00 C ATOM 731 CD2 TRP A 48 13.448 3.761 6.283 1.00 0.00 C ATOM 732 NE1 TRP A 48 14.808 2.168 6.994 1.00 0.00 N ATOM 733 CE2 TRP A 48 13.899 3.102 7.451 1.00 0.00 C ATOM 734 CE3 TRP A 48 12.496 4.786 6.425 1.00 0.00 C ATOM 735 CZ2 TRP A 48 13.422 3.449 8.717 1.00 0.00 C ATOM 736 CZ3 TRP A 48 12.014 5.137 7.698 1.00 0.00 C ATOM 737 CH2 TRP A 48 12.476 4.470 8.840 1.00 0.00 C ATOM 0 H TRP A 48 16.439 3.330 3.211 1.00 0.00 H new ATOM 0 HA TRP A 48 14.214 1.460 3.161 1.00 0.00 H new ATOM 0 HB2 TRP A 48 14.486 4.482 3.485 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.931 3.675 3.438 1.00 0.00 H new ATOM 0 HD1 TRP A 48 15.590 1.585 5.028 1.00 0.00 H new ATOM 0 HE1 TRP A 48 15.318 1.523 7.597 1.00 0.00 H new ATOM 0 HE3 TRP A 48 12.133 5.307 5.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 13.782 2.932 9.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 11.283 5.926 7.796 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.101 4.745 9.815 1.00 0.00 H new ATOM 748 N ALA A 49 13.073 1.990 0.977 1.00 0.00 N ATOM 749 CA ALA A 49 12.572 2.112 -0.387 1.00 0.00 C ATOM 750 C ALA A 49 11.047 2.089 -0.399 1.00 0.00 C ATOM 751 O ALA A 49 10.419 1.510 0.487 1.00 0.00 O ATOM 752 CB ALA A 49 13.108 0.966 -1.247 1.00 0.00 C ATOM 0 H ALA A 49 12.517 1.384 1.581 1.00 0.00 H new ATOM 0 HA ALA A 49 12.915 3.062 -0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.728 1.066 -2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.197 1.001 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.781 0.014 -0.829 1.00 0.00 H new ATOM 758 N TYR A 50 10.455 2.724 -1.406 1.00 0.00 N ATOM 759 CA TYR A 50 9.002 2.774 -1.513 1.00 0.00 C ATOM 760 C TYR A 50 8.545 2.316 -2.894 1.00 0.00 C ATOM 761 O TYR A 50 9.199 2.596 -3.900 1.00 0.00 O ATOM 762 CB TYR A 50 8.508 4.199 -1.257 1.00 0.00 C ATOM 763 CG TYR A 50 8.584 4.498 0.220 1.00 0.00 C ATOM 764 CD1 TYR A 50 7.685 3.889 1.105 1.00 0.00 C ATOM 765 CD2 TYR A 50 9.553 5.384 0.706 1.00 0.00 C ATOM 766 CE1 TYR A 50 7.755 4.168 2.475 1.00 0.00 C ATOM 767 CE2 TYR A 50 9.622 5.663 2.077 1.00 0.00 C ATOM 768 CZ TYR A 50 8.723 5.054 2.961 1.00 0.00 C ATOM 769 OH TYR A 50 8.792 5.329 4.311 1.00 0.00 O ATOM 0 H TYR A 50 10.954 3.207 -2.153 1.00 0.00 H new ATOM 0 HA TYR A 50 8.581 2.102 -0.765 1.00 0.00 H new ATOM 0 HB2 TYR A 50 9.115 4.912 -1.815 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.482 4.309 -1.609 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.938 3.205 0.731 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.247 5.852 0.024 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.061 3.699 3.157 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.368 6.348 2.452 1.00 0.00 H new ATOM 0 HH TYR A 50 9.521 5.963 4.479 1.00 0.00 H new ATOM 779 N TYR A 51 7.420 1.612 -2.935 1.00 0.00 N ATOM 780 CA TYR A 51 6.871 1.134 -4.198 1.00 0.00 C ATOM 781 C TYR A 51 5.424 1.587 -4.358 1.00 0.00 C ATOM 782 O TYR A 51 4.600 1.389 -3.466 1.00 0.00 O ATOM 783 CB TYR A 51 6.940 -0.394 -4.251 1.00 0.00 C ATOM 784 CG TYR A 51 6.137 -0.895 -5.426 1.00 0.00 C ATOM 785 CD1 TYR A 51 6.676 -0.840 -6.718 1.00 0.00 C ATOM 786 CD2 TYR A 51 4.853 -1.416 -5.227 1.00 0.00 C ATOM 787 CE1 TYR A 51 5.931 -1.305 -7.808 1.00 0.00 C ATOM 788 CE2 TYR A 51 4.108 -1.881 -6.317 1.00 0.00 C ATOM 789 CZ TYR A 51 4.648 -1.825 -7.607 1.00 0.00 C ATOM 790 OH TYR A 51 3.914 -2.285 -8.682 1.00 0.00 O ATOM 0 H TYR A 51 6.872 1.360 -2.112 1.00 0.00 H new ATOM 0 HA TYR A 51 7.462 1.552 -5.013 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.977 -0.719 -4.341 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.552 -0.818 -3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.667 -0.439 -6.873 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.437 -1.459 -4.231 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.347 -1.262 -8.804 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.117 -2.283 -6.163 1.00 0.00 H new ATOM 0 HH TYR A 51 3.127 -2.771 -8.357 1.00 0.00 H new ATOM 800 N ASN A 52 5.121 2.195 -5.500 1.00 0.00 N ATOM 801 CA ASN A 52 3.770 2.678 -5.761 1.00 0.00 C ATOM 802 C ASN A 52 2.975 1.647 -6.557 1.00 0.00 C ATOM 803 O ASN A 52 3.496 1.025 -7.483 1.00 0.00 O ATOM 804 CB ASN A 52 3.825 3.992 -6.541 1.00 0.00 C ATOM 805 CG ASN A 52 2.415 4.438 -6.911 1.00 0.00 C ATOM 806 OD1 ASN A 52 1.856 3.975 -7.906 1.00 0.00 O ATOM 807 ND2 ASN A 52 1.801 5.317 -6.165 1.00 0.00 N ATOM 0 H ASN A 52 5.787 2.364 -6.254 1.00 0.00 H new ATOM 0 HA ASN A 52 3.275 2.843 -4.804 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.313 4.760 -5.941 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.423 3.864 -7.443 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.858 5.621 -6.406 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.265 5.700 -5.341 1.00 0.00 H new ATOM 814 N ASP A 53 1.709 1.473 -6.190 1.00 0.00 N ATOM 815 CA ASP A 53 0.848 0.517 -6.876 1.00 0.00 C ATOM 816 C ASP A 53 -0.268 1.242 -7.620 1.00 0.00 C ATOM 817 O ASP A 53 -0.618 0.879 -8.742 1.00 0.00 O ATOM 818 CB ASP A 53 0.242 -0.460 -5.867 1.00 0.00 C ATOM 819 CG ASP A 53 -0.702 0.281 -4.927 1.00 0.00 C ATOM 820 OD1 ASP A 53 -0.533 1.479 -4.773 1.00 0.00 O ATOM 821 OD2 ASP A 53 -1.581 -0.360 -4.375 1.00 0.00 O ATOM 0 H ASP A 53 1.259 1.978 -5.426 1.00 0.00 H new ATOM 0 HA ASP A 53 1.451 -0.036 -7.596 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.298 -1.249 -6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.034 -0.942 -5.294 1.00 0.00 H new ATOM 826 N THR A 54 -0.824 2.270 -6.985 1.00 0.00 N ATOM 827 CA THR A 54 -1.900 3.042 -7.596 1.00 0.00 C ATOM 828 C THR A 54 -1.438 3.657 -8.913 1.00 0.00 C ATOM 829 O THR A 54 -0.518 4.473 -8.938 1.00 0.00 O ATOM 830 CB THR A 54 -2.353 4.152 -6.644 1.00 0.00 C ATOM 831 OG1 THR A 54 -1.211 4.800 -6.099 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.187 3.547 -5.513 1.00 0.00 C ATOM 0 H THR A 54 -0.550 2.586 -6.055 1.00 0.00 H new ATOM 0 HA THR A 54 -2.735 2.370 -7.795 1.00 0.00 H new ATOM 0 HB THR A 54 -2.957 4.877 -7.190 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.194 5.735 -6.393 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.509 4.338 -4.835 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.062 3.049 -5.932 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.585 2.822 -4.965 1.00 0.00 H new ATOM 840 N THR A 55 -2.082 3.258 -10.005 1.00 0.00 N ATOM 841 CA THR A 55 -1.721 3.769 -11.322 1.00 0.00 C ATOM 842 C THR A 55 -2.533 5.016 -11.656 1.00 0.00 C ATOM 843 O THR A 55 -2.483 5.520 -12.777 1.00 0.00 O ATOM 844 CB THR A 55 -1.971 2.696 -12.384 1.00 0.00 C ATOM 845 OG1 THR A 55 -3.369 2.462 -12.497 1.00 0.00 O ATOM 846 CG2 THR A 55 -1.265 1.401 -11.981 1.00 0.00 C ATOM 0 H THR A 55 -2.851 2.588 -10.005 1.00 0.00 H new ATOM 0 HA THR A 55 -0.663 4.031 -11.311 1.00 0.00 H new ATOM 0 HB THR A 55 -1.580 3.035 -13.343 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.532 1.776 -13.178 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.444 0.638 -12.738 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.194 1.582 -11.895 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.653 1.058 -11.022 1.00 0.00 H new ATOM 854 N GLN A 56 -3.280 5.511 -10.673 1.00 0.00 N ATOM 855 CA GLN A 56 -4.100 6.700 -10.875 1.00 0.00 C ATOM 856 C GLN A 56 -3.694 7.804 -9.905 1.00 0.00 C ATOM 857 O GLN A 56 -3.987 8.979 -10.128 1.00 0.00 O ATOM 858 CB GLN A 56 -5.577 6.357 -10.669 1.00 0.00 C ATOM 859 CG GLN A 56 -5.700 5.222 -9.650 1.00 0.00 C ATOM 860 CD GLN A 56 -5.349 3.892 -10.307 1.00 0.00 C ATOM 861 OE1 GLN A 56 -4.543 3.129 -9.776 1.00 0.00 O ATOM 862 NE2 GLN A 56 -5.911 3.567 -11.440 1.00 0.00 N ATOM 0 H GLN A 56 -3.334 5.111 -9.736 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.947 7.054 -11.895 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.120 7.235 -10.319 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.028 6.060 -11.616 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.036 5.407 -8.806 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.715 5.185 -9.255 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.579 4.201 -11.878 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.682 2.679 -11.887 1.00 0.00 H new ATOM 871 N TYR A 57 -3.019 7.419 -8.826 1.00 0.00 N ATOM 872 CA TYR A 57 -2.562 8.390 -7.838 1.00 0.00 C ATOM 873 C TYR A 57 -1.113 8.119 -7.448 1.00 0.00 C ATOM 874 O TYR A 57 -0.698 6.966 -7.321 1.00 0.00 O ATOM 875 CB TYR A 57 -3.448 8.320 -6.592 1.00 0.00 C ATOM 876 CG TYR A 57 -4.846 7.907 -6.989 1.00 0.00 C ATOM 877 CD1 TYR A 57 -5.635 8.765 -7.765 1.00 0.00 C ATOM 878 CD2 TYR A 57 -5.351 6.666 -6.583 1.00 0.00 C ATOM 879 CE1 TYR A 57 -6.930 8.382 -8.133 1.00 0.00 C ATOM 880 CE2 TYR A 57 -6.646 6.284 -6.952 1.00 0.00 C ATOM 881 CZ TYR A 57 -7.436 7.142 -7.727 1.00 0.00 C ATOM 882 OH TYR A 57 -8.713 6.764 -8.091 1.00 0.00 O ATOM 0 H TYR A 57 -2.778 6.451 -8.615 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.627 9.385 -8.277 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.035 7.606 -5.879 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.471 9.290 -6.095 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.245 9.722 -8.079 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.742 6.004 -5.986 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.539 9.044 -8.731 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.036 5.327 -6.639 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.907 5.875 -7.728 1.00 0.00 H new ATOM 892 N GLU A 58 -0.347 9.190 -7.258 1.00 0.00 N ATOM 893 CA GLU A 58 1.049 9.057 -6.857 1.00 0.00 C ATOM 894 C GLU A 58 1.172 9.085 -5.338 1.00 0.00 C ATOM 895 O GLU A 58 0.417 9.778 -4.657 1.00 0.00 O ATOM 896 CB GLU A 58 1.876 10.194 -7.461 1.00 0.00 C ATOM 897 CG GLU A 58 1.214 11.534 -7.135 1.00 0.00 C ATOM 898 CD GLU A 58 0.173 11.874 -8.195 1.00 0.00 C ATOM 899 OE1 GLU A 58 -0.349 10.951 -8.801 1.00 0.00 O ATOM 900 OE2 GLU A 58 -0.088 13.050 -8.386 1.00 0.00 O ATOM 0 H GLU A 58 -0.667 10.152 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 58 1.425 8.102 -7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.891 10.171 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.954 10.068 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.743 11.487 -6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.968 12.320 -7.089 1.00 0.00 H new ATOM 907 N MET A 59 2.128 8.325 -4.813 1.00 0.00 N ATOM 908 CA MET A 59 2.334 8.263 -3.371 1.00 0.00 C ATOM 909 C MET A 59 3.432 9.231 -2.940 1.00 0.00 C ATOM 910 O MET A 59 4.588 9.091 -3.338 1.00 0.00 O ATOM 911 CB MET A 59 2.717 6.841 -2.958 1.00 0.00 C ATOM 912 CG MET A 59 1.451 5.997 -2.800 1.00 0.00 C ATOM 913 SD MET A 59 0.291 6.392 -4.132 1.00 0.00 S ATOM 914 CE MET A 59 -1.135 5.503 -3.462 1.00 0.00 C ATOM 0 H MET A 59 2.767 7.748 -5.360 1.00 0.00 H new ATOM 0 HA MET A 59 1.403 8.547 -2.881 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.372 6.397 -3.708 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.273 6.860 -2.021 1.00 0.00 H new ATOM 0 HG2 MET A 59 1.703 4.937 -2.825 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.990 6.192 -1.832 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.044 5.849 -3.955 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.012 4.434 -3.636 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.210 5.690 -2.391 1.00 0.00 H new ATOM 924 N HIS A 60 3.061 10.213 -2.124 1.00 0.00 N ATOM 925 CA HIS A 60 4.025 11.191 -1.633 1.00 0.00 C ATOM 926 C HIS A 60 4.556 10.773 -0.266 1.00 0.00 C ATOM 927 O HIS A 60 3.784 10.513 0.657 1.00 0.00 O ATOM 928 CB HIS A 60 3.367 12.569 -1.529 1.00 0.00 C ATOM 929 CG HIS A 60 3.192 13.146 -2.907 1.00 0.00 C ATOM 930 ND1 HIS A 60 3.832 14.309 -3.307 1.00 0.00 N ATOM 931 CD2 HIS A 60 2.454 12.733 -3.988 1.00 0.00 C ATOM 932 CE1 HIS A 60 3.470 14.553 -4.580 1.00 0.00 C ATOM 933 NE2 HIS A 60 2.631 13.622 -5.043 1.00 0.00 N ATOM 0 H HIS A 60 2.107 10.352 -1.791 1.00 0.00 H new ATOM 0 HA HIS A 60 4.857 11.241 -2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.400 12.486 -1.032 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.982 13.232 -0.921 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.462 14.876 -2.740 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.831 11.852 -4.015 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.815 15.398 -5.157 1.00 0.00 H new ATOM 942 N VAL A 61 5.878 10.706 -0.143 1.00 0.00 N ATOM 943 CA VAL A 61 6.497 10.300 1.114 1.00 0.00 C ATOM 944 C VAL A 61 7.037 11.511 1.867 1.00 0.00 C ATOM 945 O VAL A 61 7.760 12.334 1.304 1.00 0.00 O ATOM 946 CB VAL A 61 7.635 9.317 0.840 1.00 0.00 C ATOM 947 CG1 VAL A 61 8.408 9.055 2.133 1.00 0.00 C ATOM 948 CG2 VAL A 61 7.057 8.001 0.317 1.00 0.00 C ATOM 0 H VAL A 61 6.536 10.925 -0.891 1.00 0.00 H new ATOM 0 HA VAL A 61 5.738 9.817 1.730 1.00 0.00 H new ATOM 0 HB VAL A 61 8.308 9.741 0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.219 8.354 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.821 9.992 2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.736 8.632 2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.868 7.300 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.383 7.578 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.507 8.186 -0.606 1.00 0.00 H new ATOM 958 N LEU A 62 6.685 11.611 3.144 1.00 0.00 N ATOM 959 CA LEU A 62 7.154 12.714 3.976 1.00 0.00 C ATOM 960 C LEU A 62 7.446 12.224 5.390 1.00 0.00 C ATOM 961 O LEU A 62 6.561 12.200 6.245 1.00 0.00 O ATOM 962 CB LEU A 62 6.098 13.820 4.024 1.00 0.00 C ATOM 963 CG LEU A 62 6.648 15.016 4.802 1.00 0.00 C ATOM 964 CD1 LEU A 62 7.725 15.714 3.969 1.00 0.00 C ATOM 965 CD2 LEU A 62 5.512 16.000 5.091 1.00 0.00 C ATOM 0 H LEU A 62 6.079 10.945 3.624 1.00 0.00 H new ATOM 0 HA LEU A 62 8.072 13.111 3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.828 14.124 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.190 13.450 4.499 1.00 0.00 H new ATOM 0 HG LEU A 62 7.081 14.672 5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.118 16.567 4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.534 15.014 3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.292 16.059 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.902 16.853 5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.081 16.344 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.743 15.504 5.683 1.00 0.00 H new ATOM 977 N VAL A 63 8.693 11.829 5.629 1.00 0.00 N ATOM 978 CA VAL A 63 9.083 11.318 6.938 1.00 0.00 C ATOM 979 C VAL A 63 10.064 12.268 7.619 1.00 0.00 C ATOM 980 O VAL A 63 11.017 12.740 7.000 1.00 0.00 O ATOM 981 CB VAL A 63 9.729 9.940 6.786 1.00 0.00 C ATOM 982 CG1 VAL A 63 10.041 9.365 8.169 1.00 0.00 C ATOM 983 CG2 VAL A 63 8.765 9.005 6.053 1.00 0.00 C ATOM 0 H VAL A 63 9.445 11.853 4.940 1.00 0.00 H new ATOM 0 HA VAL A 63 8.188 11.237 7.556 1.00 0.00 H new ATOM 0 HB VAL A 63 10.653 10.034 6.215 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.501 8.383 8.059 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.727 10.031 8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.118 9.271 8.741 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.224 8.022 5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.842 8.913 6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.542 9.413 5.067 1.00 0.00 H new ATOM 993 N THR A 64 9.824 12.538 8.899 1.00 0.00 N ATOM 994 CA THR A 64 10.699 13.420 9.661 1.00 0.00 C ATOM 995 C THR A 64 11.470 12.626 10.712 1.00 0.00 C ATOM 996 O THR A 64 10.913 11.746 11.368 1.00 0.00 O ATOM 997 CB THR A 64 9.874 14.513 10.346 1.00 0.00 C ATOM 998 OG1 THR A 64 9.149 15.241 9.365 1.00 0.00 O ATOM 999 CG2 THR A 64 10.807 15.460 11.102 1.00 0.00 C ATOM 0 H THR A 64 9.036 12.161 9.426 1.00 0.00 H new ATOM 0 HA THR A 64 11.409 13.881 8.974 1.00 0.00 H new ATOM 0 HB THR A 64 9.177 14.057 11.049 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.619 15.940 9.802 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.219 16.238 11.589 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.362 14.900 11.854 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.506 15.918 10.402 1.00 0.00 H new ATOM 1007 N PHE A 65 12.752 12.939 10.863 1.00 0.00 N ATOM 1008 CA PHE A 65 13.587 12.244 11.836 1.00 0.00 C ATOM 1009 C PHE A 65 14.168 13.227 12.848 1.00 0.00 C ATOM 1010 O PHE A 65 14.128 14.440 12.645 1.00 0.00 O ATOM 1011 CB PHE A 65 14.722 11.512 11.119 1.00 0.00 C ATOM 1012 CG PHE A 65 14.224 10.994 9.791 1.00 0.00 C ATOM 1013 CD1 PHE A 65 14.317 11.796 8.648 1.00 0.00 C ATOM 1014 CD2 PHE A 65 13.669 9.712 9.704 1.00 0.00 C ATOM 1015 CE1 PHE A 65 13.854 11.317 7.416 1.00 0.00 C ATOM 1016 CE2 PHE A 65 13.207 9.232 8.472 1.00 0.00 C ATOM 1017 CZ PHE A 65 13.299 10.034 7.328 1.00 0.00 C ATOM 0 H PHE A 65 13.233 13.663 10.329 1.00 0.00 H new ATOM 0 HA PHE A 65 12.968 11.522 12.368 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.565 12.186 10.966 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.082 10.686 11.732 1.00 0.00 H new ATOM 0 HD1 PHE A 65 14.746 12.785 8.716 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.597 9.093 10.586 1.00 0.00 H new ATOM 0 HE1 PHE A 65 13.925 11.937 6.534 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.779 8.243 8.404 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.942 9.664 6.378 1.00 0.00 H new ATOM 1027 N ASN A 66 14.709 12.691 13.939 1.00 0.00 N ATOM 1028 CA ASN A 66 15.305 13.527 14.974 1.00 0.00 C ATOM 1029 C ASN A 66 16.747 13.873 14.621 1.00 0.00 C ATOM 1030 O ASN A 66 17.397 13.161 13.855 1.00 0.00 O ATOM 1031 CB ASN A 66 15.269 12.797 16.319 1.00 0.00 C ATOM 1032 CG ASN A 66 15.533 13.780 17.454 1.00 0.00 C ATOM 1033 OD1 ASN A 66 16.639 13.688 18.141 1.00 0.00 O flip ATOM 1034 ND2 ASN A 66 14.710 14.656 17.722 1.00 0.00 N flip ATOM 0 H ASN A 66 14.746 11.689 14.127 1.00 0.00 H new ATOM 0 HA ASN A 66 14.729 14.450 15.044 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.298 12.321 16.458 1.00 0.00 H new ATOM 0 HB3 ASN A 66 16.017 12.005 16.332 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.846 14.726 17.184 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.892 15.311 18.482 1.00 0.00 H new ATOM 1041 N GLU A 67 17.243 14.970 15.185 1.00 0.00 N ATOM 1042 CA GLU A 67 18.610 15.399 14.923 1.00 0.00 C ATOM 1043 C GLU A 67 19.579 14.236 15.103 1.00 0.00 C ATOM 1044 O GLU A 67 20.390 13.948 14.221 1.00 0.00 O ATOM 1045 CB GLU A 67 18.992 16.535 15.875 1.00 0.00 C ATOM 1046 CG GLU A 67 20.504 16.762 15.819 1.00 0.00 C ATOM 1047 CD GLU A 67 20.849 18.123 16.416 1.00 0.00 C ATOM 1048 OE1 GLU A 67 19.953 18.759 16.946 1.00 0.00 O ATOM 1049 OE2 GLU A 67 22.004 18.507 16.336 1.00 0.00 O ATOM 0 H GLU A 67 16.722 15.573 15.822 1.00 0.00 H new ATOM 0 HA GLU A 67 18.670 15.752 13.893 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.466 17.448 15.598 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.688 16.289 16.892 1.00 0.00 H new ATOM 0 HG2 GLU A 67 21.019 15.974 16.368 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.850 16.710 14.787 1.00 0.00 H new ATOM 1056 N ASP A 68 19.490 13.570 16.249 1.00 0.00 N ATOM 1057 CA ASP A 68 20.367 12.441 16.537 1.00 0.00 C ATOM 1058 C ASP A 68 19.937 11.213 15.740 1.00 0.00 C ATOM 1059 O ASP A 68 19.348 10.281 16.288 1.00 0.00 O ATOM 1060 CB ASP A 68 20.331 12.120 18.032 1.00 0.00 C ATOM 1061 CG ASP A 68 18.899 11.830 18.470 1.00 0.00 C ATOM 1062 OD1 ASP A 68 18.046 11.725 17.605 1.00 0.00 O ATOM 1063 OD2 ASP A 68 18.678 11.718 19.665 1.00 0.00 O ATOM 0 H ASP A 68 18.824 13.790 16.989 1.00 0.00 H new ATOM 0 HA ASP A 68 21.383 12.710 16.248 1.00 0.00 H new ATOM 0 HB2 ASP A 68 20.966 11.259 18.243 1.00 0.00 H new ATOM 0 HB3 ASP A 68 20.731 12.958 18.602 1.00 0.00 H new ATOM 1068 N CYS A 69 20.233 11.220 14.444 1.00 0.00 N ATOM 1069 CA CYS A 69 19.882 10.095 13.585 1.00 0.00 C ATOM 1070 C CYS A 69 20.831 10.011 12.394 1.00 0.00 C ATOM 1071 O CYS A 69 20.851 10.899 11.542 1.00 0.00 O ATOM 1072 CB CYS A 69 18.445 10.250 13.085 1.00 0.00 C ATOM 1073 SG CYS A 69 17.345 10.549 14.491 1.00 0.00 S ATOM 0 H CYS A 69 20.711 11.986 13.969 1.00 0.00 H new ATOM 0 HA CYS A 69 19.968 9.177 14.167 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.382 11.077 12.378 1.00 0.00 H new ATOM 0 HB3 CYS A 69 18.135 9.351 12.552 1.00 0.00 H new ATOM 0 HG CYS A 69 17.685 9.777 15.480 1.00 0.00 H new ATOM 1079 N ASP A 70 21.615 8.939 12.342 1.00 0.00 N ATOM 1080 CA ASP A 70 22.566 8.754 11.253 1.00 0.00 C ATOM 1081 C ASP A 70 21.847 8.292 9.989 1.00 0.00 C ATOM 1082 O ASP A 70 21.832 7.104 9.671 1.00 0.00 O ATOM 1083 CB ASP A 70 23.620 7.719 11.650 1.00 0.00 C ATOM 1084 CG ASP A 70 24.778 7.747 10.658 1.00 0.00 C ATOM 1085 OD1 ASP A 70 25.652 8.582 10.822 1.00 0.00 O ATOM 1086 OD2 ASP A 70 24.774 6.932 9.750 1.00 0.00 O ATOM 0 H ASP A 70 21.611 8.191 13.035 1.00 0.00 H new ATOM 0 HA ASP A 70 23.053 9.709 11.053 1.00 0.00 H new ATOM 0 HB2 ASP A 70 23.986 7.928 12.655 1.00 0.00 H new ATOM 0 HB3 ASP A 70 23.174 6.725 11.673 1.00 0.00 H new ATOM 1091 N ILE A 71 21.251 9.241 9.275 1.00 0.00 N ATOM 1092 CA ILE A 71 20.525 8.922 8.052 1.00 0.00 C ATOM 1093 C ILE A 71 21.081 9.718 6.874 1.00 0.00 C ATOM 1094 O ILE A 71 21.632 10.804 7.052 1.00 0.00 O ATOM 1095 CB ILE A 71 19.039 9.238 8.230 1.00 0.00 C ATOM 1096 CG1 ILE A 71 18.873 10.723 8.561 1.00 0.00 C ATOM 1097 CG2 ILE A 71 18.471 8.396 9.372 1.00 0.00 C ATOM 1098 CD1 ILE A 71 17.391 11.036 8.779 1.00 0.00 C ATOM 0 H ILE A 71 21.256 10.231 9.520 1.00 0.00 H new ATOM 0 HA ILE A 71 20.648 7.859 7.846 1.00 0.00 H new ATOM 0 HB ILE A 71 18.505 9.007 7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.444 10.973 9.455 1.00 0.00 H new ATOM 0 HG13 ILE A 71 19.269 11.334 7.749 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.412 8.621 9.499 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.591 7.338 9.139 1.00 0.00 H new ATOM 0 HG23 ILE A 71 19.004 8.627 10.294 1.00 0.00 H new ATOM 0 HD11 ILE A 71 17.273 12.094 9.015 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.833 10.802 7.873 1.00 0.00 H new ATOM 0 HD13 ILE A 71 17.010 10.436 9.605 1.00 0.00 H new ATOM 1110 N LYS A 72 20.933 9.169 5.673 1.00 0.00 N ATOM 1111 CA LYS A 72 21.430 9.836 4.474 1.00 0.00 C ATOM 1112 C LYS A 72 20.346 9.896 3.403 1.00 0.00 C ATOM 1113 O LYS A 72 19.260 9.342 3.573 1.00 0.00 O ATOM 1114 CB LYS A 72 22.648 9.087 3.928 1.00 0.00 C ATOM 1115 CG LYS A 72 23.716 8.984 5.019 1.00 0.00 C ATOM 1116 CD LYS A 72 24.751 7.930 4.622 1.00 0.00 C ATOM 1117 CE LYS A 72 25.243 8.206 3.200 1.00 0.00 C ATOM 1118 NZ LYS A 72 25.495 9.666 3.037 1.00 0.00 N ATOM 0 H LYS A 72 20.477 8.272 5.504 1.00 0.00 H new ATOM 0 HA LYS A 72 21.717 10.853 4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.356 8.091 3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.050 9.609 3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 72 24.201 9.950 5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 72 23.255 8.716 5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 72 25.590 7.949 5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 72 24.311 6.934 4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 72 26.156 7.644 3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 72 24.501 7.871 2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 26.341 9.809 2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 24.675 10.111 2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 25.645 10.099 3.971 1.00 0.00 H new ATOM 1132 N ALA A 73 20.649 10.569 2.297 1.00 0.00 N ATOM 1133 CA ALA A 73 19.703 10.671 1.192 1.00 0.00 C ATOM 1134 C ALA A 73 20.180 9.843 0.002 1.00 0.00 C ATOM 1135 O ALA A 73 21.356 9.877 -0.358 1.00 0.00 O ATOM 1136 CB ALA A 73 19.548 12.133 0.770 1.00 0.00 C ATOM 0 H ALA A 73 21.536 11.049 2.143 1.00 0.00 H new ATOM 0 HA ALA A 73 18.739 10.286 1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.840 12.200 -0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.179 12.718 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.514 12.524 0.452 1.00 0.00 H new ATOM 1142 N LEU A 74 19.259 9.101 -0.603 1.00 0.00 N ATOM 1143 CA LEU A 74 19.603 8.246 -1.734 1.00 0.00 C ATOM 1144 C LEU A 74 19.190 8.902 -3.048 1.00 0.00 C ATOM 1145 O LEU A 74 19.903 9.754 -3.579 1.00 0.00 O ATOM 1146 CB LEU A 74 18.908 6.891 -1.595 1.00 0.00 C ATOM 1147 CG LEU A 74 19.289 6.258 -0.256 1.00 0.00 C ATOM 1148 CD1 LEU A 74 18.592 4.904 -0.113 1.00 0.00 C ATOM 1149 CD2 LEU A 74 20.805 6.059 -0.202 1.00 0.00 C ATOM 0 H LEU A 74 18.276 9.074 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 74 20.683 8.100 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.827 7.017 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.199 6.235 -2.415 1.00 0.00 H new ATOM 0 HG LEU A 74 18.977 6.913 0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.864 4.454 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.512 5.045 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.903 4.247 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 74 21.079 5.608 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 74 21.115 5.404 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 74 21.302 7.024 -0.303 1.00 0.00 H new ATOM 1161 N GLY A 75 18.035 8.499 -3.568 1.00 0.00 N ATOM 1162 CA GLY A 75 17.543 9.048 -4.826 1.00 0.00 C ATOM 1163 C GLY A 75 17.461 10.570 -4.761 1.00 0.00 C ATOM 1164 O GLY A 75 18.135 11.202 -3.950 1.00 0.00 O ATOM 0 H GLY A 75 17.427 7.800 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.203 8.750 -5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.558 8.636 -5.047 1.00 0.00 H new ATOM 1168 N LYS A 76 16.631 11.149 -5.623 1.00 0.00 N ATOM 1169 CA LYS A 76 16.476 12.599 -5.659 1.00 0.00 C ATOM 1170 C LYS A 76 15.902 13.108 -4.341 1.00 0.00 C ATOM 1171 O LYS A 76 15.648 14.302 -4.183 1.00 0.00 O ATOM 1172 CB LYS A 76 15.548 12.995 -6.809 1.00 0.00 C ATOM 1173 CG LYS A 76 14.114 12.576 -6.477 1.00 0.00 C ATOM 1174 CD LYS A 76 13.251 12.664 -7.738 1.00 0.00 C ATOM 1175 CE LYS A 76 13.216 14.110 -8.232 1.00 0.00 C ATOM 1176 NZ LYS A 76 14.446 14.396 -9.023 1.00 0.00 N ATOM 0 H LYS A 76 16.060 10.642 -6.300 1.00 0.00 H new ATOM 0 HA LYS A 76 17.457 13.048 -5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.595 14.072 -6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.873 12.517 -7.733 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.102 11.559 -6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.706 13.221 -5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.654 12.013 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.240 12.317 -7.525 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.330 14.274 -8.845 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.149 14.793 -7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.049 15.062 -8.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.968 13.511 -9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.181 14.815 -9.937 1.00 0.00 H new ATOM 1190 N THR A 77 15.700 12.194 -3.397 1.00 0.00 N ATOM 1191 CA THR A 77 15.143 12.560 -2.101 1.00 0.00 C ATOM 1192 C THR A 77 15.897 13.746 -1.509 1.00 0.00 C ATOM 1193 O THR A 77 17.087 13.651 -1.209 1.00 0.00 O ATOM 1194 CB THR A 77 15.228 11.369 -1.142 1.00 0.00 C ATOM 1195 OG1 THR A 77 14.476 10.285 -1.669 1.00 0.00 O ATOM 1196 CG2 THR A 77 14.663 11.769 0.223 1.00 0.00 C ATOM 0 H THR A 77 15.912 11.202 -3.504 1.00 0.00 H new ATOM 0 HA THR A 77 14.099 12.841 -2.241 1.00 0.00 H new ATOM 0 HB THR A 77 16.269 11.068 -1.027 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.024 9.472 -1.661 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.724 10.921 0.905 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.241 12.601 0.626 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.622 12.071 0.111 1.00 0.00 H new ATOM 1204 N LYS A 78 15.196 14.863 -1.343 1.00 0.00 N ATOM 1205 CA LYS A 78 15.810 16.062 -0.784 1.00 0.00 C ATOM 1206 C LYS A 78 15.940 15.939 0.730 1.00 0.00 C ATOM 1207 O LYS A 78 14.947 15.776 1.438 1.00 0.00 O ATOM 1208 CB LYS A 78 14.964 17.290 -1.128 1.00 0.00 C ATOM 1209 CG LYS A 78 15.753 18.559 -0.799 1.00 0.00 C ATOM 1210 CD LYS A 78 14.810 19.765 -0.815 1.00 0.00 C ATOM 1211 CE LYS A 78 14.151 19.879 -2.192 1.00 0.00 C ATOM 1212 NZ LYS A 78 15.165 19.616 -3.252 1.00 0.00 N ATOM 0 H LYS A 78 14.210 14.963 -1.585 1.00 0.00 H new ATOM 0 HA LYS A 78 16.805 16.174 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.698 17.278 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.031 17.272 -0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.223 18.464 0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.554 18.700 -1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.048 19.655 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.364 20.676 -0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.330 19.166 -2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.724 20.873 -2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.866 20.070 -4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.084 20.004 -2.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.254 18.591 -3.401 1.00 0.00 H new ATOM 1226 N LEU A 79 17.173 16.017 1.220 1.00 0.00 N ATOM 1227 CA LEU A 79 17.422 15.905 2.653 1.00 0.00 C ATOM 1228 C LEU A 79 17.980 17.214 3.203 1.00 0.00 C ATOM 1229 O LEU A 79 18.926 17.777 2.654 1.00 0.00 O ATOM 1230 CB LEU A 79 18.415 14.773 2.923 1.00 0.00 C ATOM 1231 CG LEU A 79 18.753 14.735 4.414 1.00 0.00 C ATOM 1232 CD1 LEU A 79 17.466 14.592 5.227 1.00 0.00 C ATOM 1233 CD2 LEU A 79 19.669 13.543 4.698 1.00 0.00 C ATOM 0 H LEU A 79 18.009 16.156 0.652 1.00 0.00 H new ATOM 0 HA LEU A 79 16.477 15.687 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 79 17.989 13.819 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.322 14.923 2.337 1.00 0.00 H new ATOM 0 HG LEU A 79 19.259 15.659 4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.708 14.565 6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.812 15.440 5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.959 13.669 4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.911 13.515 5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.163 12.620 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.587 13.644 4.120 1.00 0.00 H new ATOM 1245 N GLU A 80 17.386 17.691 4.293 1.00 0.00 N ATOM 1246 CA GLU A 80 17.831 18.936 4.909 1.00 0.00 C ATOM 1247 C GLU A 80 17.458 18.964 6.387 1.00 0.00 C ATOM 1248 O GLU A 80 16.534 18.272 6.818 1.00 0.00 O ATOM 1249 CB GLU A 80 17.192 20.129 4.196 1.00 0.00 C ATOM 1250 CG GLU A 80 15.678 19.924 4.111 1.00 0.00 C ATOM 1251 CD GLU A 80 15.038 21.079 3.351 1.00 0.00 C ATOM 1252 OE1 GLU A 80 15.753 22.004 3.006 1.00 0.00 O ATOM 1253 OE2 GLU A 80 13.841 21.021 3.124 1.00 0.00 O ATOM 0 H GLU A 80 16.602 17.239 4.764 1.00 0.00 H new ATOM 0 HA GLU A 80 18.915 18.998 4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.415 21.050 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 80 17.612 20.235 3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.458 18.982 3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.255 19.858 5.113 1.00 0.00 H new ATOM 1260 N GLN A 81 18.181 19.766 7.161 1.00 0.00 N ATOM 1261 CA GLN A 81 17.920 19.871 8.592 1.00 0.00 C ATOM 1262 C GLN A 81 17.286 21.219 8.923 1.00 0.00 C ATOM 1263 O GLN A 81 17.518 22.212 8.233 1.00 0.00 O ATOM 1264 CB GLN A 81 19.225 19.713 9.374 1.00 0.00 C ATOM 1265 CG GLN A 81 18.918 19.655 10.872 1.00 0.00 C ATOM 1266 CD GLN A 81 20.207 19.441 11.659 1.00 0.00 C ATOM 1267 OE1 GLN A 81 21.261 19.199 11.072 1.00 0.00 O ATOM 1268 NE2 GLN A 81 20.184 19.517 12.961 1.00 0.00 N ATOM 0 H GLN A 81 18.947 20.349 6.825 1.00 0.00 H new ATOM 0 HA GLN A 81 17.229 19.077 8.876 1.00 0.00 H new ATOM 0 HB2 GLN A 81 19.741 18.805 9.062 1.00 0.00 H new ATOM 0 HB3 GLN A 81 19.893 20.548 9.161 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.437 20.580 11.190 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.218 18.845 11.077 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.309 19.718 13.445 1.00 0.00 H new ATOM 0 HE22 GLN A 81 21.041 19.376 13.495 1.00 0.00 H new ATOM 1277 N GLN A 82 16.484 21.245 9.983 1.00 0.00 N ATOM 1278 CA GLN A 82 15.821 22.476 10.398 1.00 0.00 C ATOM 1279 C GLN A 82 16.509 23.067 11.623 1.00 0.00 C ATOM 1280 O GLN A 82 17.341 22.416 12.255 1.00 0.00 O ATOM 1281 CB GLN A 82 14.352 22.195 10.719 1.00 0.00 C ATOM 1282 CG GLN A 82 13.843 21.058 9.831 1.00 0.00 C ATOM 1283 CD GLN A 82 14.133 21.370 8.367 1.00 0.00 C ATOM 1284 OE1 GLN A 82 14.675 20.456 7.609 1.00 0.00 O flip ATOM 1285 NE2 GLN A 82 13.857 22.476 7.901 1.00 0.00 N flip ATOM 0 H GLN A 82 16.279 20.434 10.566 1.00 0.00 H new ATOM 0 HA GLN A 82 15.882 23.194 9.580 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.244 21.926 11.770 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.755 23.093 10.556 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.324 20.122 10.114 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.771 20.923 9.977 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.433 23.189 8.495 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.052 22.679 6.921 1.00 0.00 H new ATOM 1294 N GLU A 83 16.156 24.305 11.956 1.00 0.00 N ATOM 1295 CA GLU A 83 16.745 24.973 13.110 1.00 0.00 C ATOM 1296 C GLU A 83 16.352 24.259 14.400 1.00 0.00 C ATOM 1297 O GLU A 83 17.139 24.181 15.343 1.00 0.00 O ATOM 1298 CB GLU A 83 16.276 26.428 13.168 1.00 0.00 C ATOM 1299 CG GLU A 83 17.044 27.170 14.263 1.00 0.00 C ATOM 1300 CD GLU A 83 16.534 28.602 14.379 1.00 0.00 C ATOM 1301 OE1 GLU A 83 15.637 28.953 13.629 1.00 0.00 O ATOM 1302 OE2 GLU A 83 17.047 29.327 15.216 1.00 0.00 O ATOM 0 H GLU A 83 15.470 24.862 11.447 1.00 0.00 H new ATOM 0 HA GLU A 83 17.830 24.945 13.007 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.438 26.912 12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.205 26.468 13.369 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.924 26.654 15.216 1.00 0.00 H new ATOM 0 HG3 GLU A 83 18.110 27.172 14.034 1.00 0.00 H new ATOM 1309 N ASN A 84 15.129 23.738 14.433 1.00 0.00 N ATOM 1310 CA ASN A 84 14.640 23.036 15.614 1.00 0.00 C ATOM 1311 C ASN A 84 15.510 21.821 15.914 1.00 0.00 C ATOM 1312 O ASN A 84 15.590 21.369 17.056 1.00 0.00 O ATOM 1313 CB ASN A 84 13.194 22.589 15.392 1.00 0.00 C ATOM 1314 CG ASN A 84 13.076 21.847 14.064 1.00 0.00 C ATOM 1315 OD1 ASN A 84 13.855 20.827 13.826 1.00 0.00 O flip ATOM 1316 ND2 ASN A 84 12.254 22.208 13.222 1.00 0.00 N flip ATOM 0 H ASN A 84 14.463 23.788 13.662 1.00 0.00 H new ATOM 0 HA ASN A 84 14.684 23.717 16.464 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.875 21.942 16.209 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.532 23.455 15.394 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.647 23.005 13.411 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.180 21.710 12.335 1.00 0.00 H new ATOM 1323 N GLY A 85 16.160 21.295 14.881 1.00 0.00 N ATOM 1324 CA GLY A 85 17.031 20.138 15.049 1.00 0.00 C ATOM 1325 C GLY A 85 16.332 18.861 14.599 1.00 0.00 C ATOM 1326 O GLY A 85 16.202 17.909 15.368 1.00 0.00 O ATOM 0 H GLY A 85 16.101 21.648 13.926 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.945 20.279 14.473 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.324 20.048 16.095 1.00 0.00 H new ATOM 1330 N GLU A 86 15.881 18.848 13.349 1.00 0.00 N ATOM 1331 CA GLU A 86 15.213 17.673 12.799 1.00 0.00 C ATOM 1332 C GLU A 86 15.568 17.492 11.327 1.00 0.00 C ATOM 1333 O GLU A 86 15.828 18.465 10.617 1.00 0.00 O ATOM 1334 CB GLU A 86 13.697 17.820 12.945 1.00 0.00 C ATOM 1335 CG GLU A 86 13.324 17.833 14.428 1.00 0.00 C ATOM 1336 CD GLU A 86 11.808 17.888 14.583 1.00 0.00 C ATOM 1337 OE1 GLU A 86 11.138 18.114 13.589 1.00 0.00 O ATOM 1338 OE2 GLU A 86 11.339 17.703 15.695 1.00 0.00 O ATOM 0 H GLU A 86 15.965 19.632 12.701 1.00 0.00 H new ATOM 0 HA GLU A 86 15.550 16.796 13.352 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.363 18.741 12.467 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.191 16.997 12.439 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.716 16.942 14.918 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.780 18.693 14.919 1.00 0.00 H new ATOM 1345 N TRP A 87 15.575 16.244 10.874 1.00 0.00 N ATOM 1346 CA TRP A 87 15.897 15.947 9.483 1.00 0.00 C ATOM 1347 C TRP A 87 14.629 15.618 8.700 1.00 0.00 C ATOM 1348 O TRP A 87 13.766 14.882 9.179 1.00 0.00 O ATOM 1349 CB TRP A 87 16.866 14.765 9.409 1.00 0.00 C ATOM 1350 CG TRP A 87 18.220 15.201 9.867 1.00 0.00 C ATOM 1351 CD1 TRP A 87 18.708 15.034 11.118 1.00 0.00 C ATOM 1352 CD2 TRP A 87 19.268 15.867 9.105 1.00 0.00 C ATOM 1353 NE1 TRP A 87 19.987 15.557 11.173 1.00 0.00 N ATOM 1354 CE2 TRP A 87 20.377 16.081 9.957 1.00 0.00 C ATOM 1355 CE3 TRP A 87 19.363 16.302 7.771 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 21.539 16.706 9.502 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 20.531 16.933 7.310 1.00 0.00 C ATOM 1358 CH2 TRP A 87 21.616 17.133 8.173 1.00 0.00 C ATOM 0 H TRP A 87 15.363 15.426 11.445 1.00 0.00 H new ATOM 0 HA TRP A 87 16.366 16.827 9.043 1.00 0.00 H new ATOM 0 HB2 TRP A 87 16.506 13.946 10.032 1.00 0.00 H new ATOM 0 HB3 TRP A 87 16.920 14.388 8.388 1.00 0.00 H new ATOM 0 HD1 TRP A 87 18.184 14.568 11.940 1.00 0.00 H new ATOM 0 HE1 TRP A 87 20.571 15.556 12.010 1.00 0.00 H new ATOM 0 HE3 TRP A 87 18.533 16.150 7.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 22.373 16.859 10.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 20.592 17.266 6.284 1.00 0.00 H new ATOM 0 HH2 TRP A 87 22.512 17.617 7.812 1.00 0.00 H new ATOM 1369 N VAL A 88 14.524 16.166 7.494 1.00 0.00 N ATOM 1370 CA VAL A 88 13.352 15.930 6.659 1.00 0.00 C ATOM 1371 C VAL A 88 13.760 15.323 5.320 1.00 0.00 C ATOM 1372 O VAL A 88 14.765 15.718 4.730 1.00 0.00 O ATOM 1373 CB VAL A 88 12.608 17.245 6.420 1.00 0.00 C ATOM 1374 CG1 VAL A 88 11.454 17.008 5.443 1.00 0.00 C ATOM 1375 CG2 VAL A 88 12.053 17.764 7.748 1.00 0.00 C ATOM 0 H VAL A 88 15.230 16.772 7.076 1.00 0.00 H new ATOM 0 HA VAL A 88 12.696 15.230 7.177 1.00 0.00 H new ATOM 0 HB VAL A 88 13.294 17.980 6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.924 17.945 5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.848 16.637 4.497 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.767 16.273 5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.523 18.701 7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.366 17.029 8.168 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.874 17.932 8.445 1.00 0.00 H new ATOM 1385 N ALA A 89 12.974 14.361 4.849 1.00 0.00 N ATOM 1386 CA ALA A 89 13.260 13.709 3.576 1.00 0.00 C ATOM 1387 C ALA A 89 11.967 13.435 2.814 1.00 0.00 C ATOM 1388 O ALA A 89 11.233 12.501 3.134 1.00 0.00 O ATOM 1389 CB ALA A 89 14.002 12.393 3.817 1.00 0.00 C ATOM 0 H ALA A 89 12.140 14.017 5.325 1.00 0.00 H new ATOM 0 HA ALA A 89 13.886 14.374 2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.211 11.913 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.940 12.594 4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.384 11.733 4.427 1.00 0.00 H new ATOM 1395 N SER A 90 11.695 14.255 1.805 1.00 0.00 N ATOM 1396 CA SER A 90 10.478 14.103 1.016 1.00 0.00 C ATOM 1397 C SER A 90 10.814 13.722 -0.422 1.00 0.00 C ATOM 1398 O SER A 90 11.811 14.182 -0.980 1.00 0.00 O ATOM 1399 CB SER A 90 9.682 15.408 1.027 1.00 0.00 C ATOM 1400 OG SER A 90 10.344 16.368 0.214 1.00 0.00 O ATOM 0 H SER A 90 12.296 15.027 1.515 1.00 0.00 H new ATOM 0 HA SER A 90 9.878 13.308 1.459 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.672 15.235 0.656 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.587 15.781 2.047 1.00 0.00 H new ATOM 0 HG SER A 90 9.836 17.206 0.217 1.00 0.00 H new ATOM 1406 N VAL A 91 9.974 12.881 -1.017 1.00 0.00 N ATOM 1407 CA VAL A 91 10.183 12.453 -2.395 1.00 0.00 C ATOM 1408 C VAL A 91 8.895 11.880 -2.977 1.00 0.00 C ATOM 1409 O VAL A 91 8.129 11.215 -2.279 1.00 0.00 O ATOM 1410 CB VAL A 91 11.287 11.396 -2.453 1.00 0.00 C ATOM 1411 CG1 VAL A 91 10.763 10.080 -1.877 1.00 0.00 C ATOM 1412 CG2 VAL A 91 11.711 11.183 -3.907 1.00 0.00 C ATOM 0 H VAL A 91 9.147 12.485 -0.570 1.00 0.00 H new ATOM 0 HA VAL A 91 10.481 13.320 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 91 12.144 11.732 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.549 9.326 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.459 10.232 -0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 91 9.906 9.743 -2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.498 10.430 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.854 10.846 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.084 12.121 -4.318 1.00 0.00 H new ATOM 1422 N VAL A 92 8.662 12.144 -4.259 1.00 0.00 N ATOM 1423 CA VAL A 92 7.461 11.649 -4.924 1.00 0.00 C ATOM 1424 C VAL A 92 7.774 10.396 -5.736 1.00 0.00 C ATOM 1425 O VAL A 92 8.777 10.340 -6.448 1.00 0.00 O ATOM 1426 CB VAL A 92 6.895 12.728 -5.846 1.00 0.00 C ATOM 1427 CG1 VAL A 92 5.624 12.210 -6.522 1.00 0.00 C ATOM 1428 CG2 VAL A 92 6.560 13.975 -5.023 1.00 0.00 C ATOM 0 H VAL A 92 9.283 12.693 -4.854 1.00 0.00 H new ATOM 0 HA VAL A 92 6.724 11.398 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 92 7.634 12.979 -6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.221 12.981 -7.179 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.860 11.321 -7.107 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.884 11.959 -5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.156 14.746 -5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.821 13.722 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.464 14.346 -4.541 1.00 0.00 H new ATOM 1438 N VAL A 93 6.907 9.395 -5.626 1.00 0.00 N ATOM 1439 CA VAL A 93 7.104 8.143 -6.348 1.00 0.00 C ATOM 1440 C VAL A 93 6.022 7.964 -7.409 1.00 0.00 C ATOM 1441 O VAL A 93 4.833 8.105 -7.125 1.00 0.00 O ATOM 1442 CB VAL A 93 7.064 6.965 -5.374 1.00 0.00 C ATOM 1443 CG1 VAL A 93 7.349 5.666 -6.131 1.00 0.00 C ATOM 1444 CG2 VAL A 93 8.126 7.165 -4.291 1.00 0.00 C ATOM 0 H VAL A 93 6.067 9.425 -5.048 1.00 0.00 H new ATOM 0 HA VAL A 93 8.078 8.176 -6.837 1.00 0.00 H new ATOM 0 HB VAL A 93 6.078 6.908 -4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.320 4.826 -5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.595 5.523 -6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.335 5.722 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.099 6.326 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.111 7.221 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 93 7.925 8.090 -3.751 1.00 0.00 H new ATOM 1454 N TYR A 94 6.443 7.654 -8.630 1.00 0.00 N ATOM 1455 CA TYR A 94 5.497 7.452 -9.723 1.00 0.00 C ATOM 1456 C TYR A 94 5.159 5.973 -9.871 1.00 0.00 C ATOM 1457 O TYR A 94 5.971 5.104 -9.552 1.00 0.00 O ATOM 1458 CB TYR A 94 6.092 7.978 -11.031 1.00 0.00 C ATOM 1459 CG TYR A 94 6.287 9.471 -10.929 1.00 0.00 C ATOM 1460 CD1 TYR A 94 5.178 10.316 -10.807 1.00 0.00 C ATOM 1461 CD2 TYR A 94 7.580 10.011 -10.952 1.00 0.00 C ATOM 1462 CE1 TYR A 94 5.360 11.701 -10.709 1.00 0.00 C ATOM 1463 CE2 TYR A 94 7.761 11.396 -10.854 1.00 0.00 C ATOM 1464 CZ TYR A 94 6.652 12.241 -10.732 1.00 0.00 C ATOM 1465 OH TYR A 94 6.831 13.605 -10.636 1.00 0.00 O ATOM 0 H TYR A 94 7.423 7.538 -8.887 1.00 0.00 H new ATOM 0 HA TYR A 94 4.582 8.000 -9.495 1.00 0.00 H new ATOM 0 HB2 TYR A 94 7.045 7.489 -11.232 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.430 7.743 -11.865 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.182 9.900 -10.788 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.436 9.359 -11.045 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.504 12.353 -10.616 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.757 11.813 -10.873 1.00 0.00 H new ATOM 0 HH TYR A 94 7.788 13.812 -10.667 1.00 0.00 H new ATOM 1475 N PRO A 95 3.979 5.678 -10.345 1.00 0.00 N ATOM 1476 CA PRO A 95 3.509 4.274 -10.526 1.00 0.00 C ATOM 1477 C PRO A 95 4.368 3.503 -11.524 1.00 0.00 C ATOM 1478 O PRO A 95 4.926 4.084 -12.455 1.00 0.00 O ATOM 1479 CB PRO A 95 2.073 4.424 -11.041 1.00 0.00 C ATOM 1480 CG PRO A 95 1.980 5.813 -11.579 1.00 0.00 C ATOM 1481 CD PRO A 95 2.956 6.665 -10.769 1.00 0.00 C ATOM 0 HA PRO A 95 3.572 3.704 -9.599 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.856 3.689 -11.816 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.351 4.265 -10.240 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.234 5.835 -12.639 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.964 6.196 -11.487 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.390 7.465 -11.369 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.469 7.136 -9.915 1.00 0.00 H new ATOM 1489 N CYS A 96 4.472 2.194 -11.321 1.00 0.00 N ATOM 1490 CA CYS A 96 5.265 1.353 -12.209 1.00 0.00 C ATOM 1491 C CYS A 96 6.736 1.751 -12.147 1.00 0.00 C ATOM 1492 O CYS A 96 7.511 1.444 -13.053 1.00 0.00 O ATOM 1493 CB CYS A 96 4.757 1.486 -13.646 1.00 0.00 C ATOM 1494 SG CYS A 96 5.337 0.076 -14.622 1.00 0.00 S ATOM 0 H CYS A 96 4.020 1.695 -10.554 1.00 0.00 H new ATOM 0 HA CYS A 96 5.166 0.317 -11.885 1.00 0.00 H new ATOM 0 HB2 CYS A 96 3.668 1.526 -13.656 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.114 2.418 -14.085 1.00 0.00 H new ATOM 0 HG CYS A 96 6.621 -0.060 -14.467 1.00 0.00 H new ATOM 1500 N GLU A 97 7.113 2.437 -11.072 1.00 0.00 N ATOM 1501 CA GLU A 97 8.494 2.875 -10.902 1.00 0.00 C ATOM 1502 C GLU A 97 8.881 2.864 -9.426 1.00 0.00 C ATOM 1503 O GLU A 97 8.130 3.342 -8.575 1.00 0.00 O ATOM 1504 CB GLU A 97 8.667 4.285 -11.467 1.00 0.00 C ATOM 1505 CG GLU A 97 8.506 4.250 -12.988 1.00 0.00 C ATOM 1506 CD GLU A 97 8.832 5.618 -13.578 1.00 0.00 C ATOM 1507 OE1 GLU A 97 9.019 6.545 -12.807 1.00 0.00 O ATOM 1508 OE2 GLU A 97 8.892 5.717 -14.793 1.00 0.00 O ATOM 0 H GLU A 97 6.487 2.700 -10.311 1.00 0.00 H new ATOM 0 HA GLU A 97 9.144 2.186 -11.441 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.929 4.957 -11.028 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.650 4.675 -11.204 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.165 3.494 -13.415 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.486 3.966 -13.248 1.00 0.00 H new ATOM 1515 N THR A 98 10.055 2.318 -9.131 1.00 0.00 N ATOM 1516 CA THR A 98 10.536 2.260 -7.755 1.00 0.00 C ATOM 1517 C THR A 98 11.744 3.173 -7.572 1.00 0.00 C ATOM 1518 O THR A 98 12.655 3.186 -8.400 1.00 0.00 O ATOM 1519 CB THR A 98 10.921 0.823 -7.396 1.00 0.00 C ATOM 1520 OG1 THR A 98 9.902 -0.062 -7.838 1.00 0.00 O ATOM 1521 CG2 THR A 98 11.083 0.701 -5.880 1.00 0.00 C ATOM 0 H THR A 98 10.688 1.912 -9.820 1.00 0.00 H new ATOM 0 HA THR A 98 9.736 2.597 -7.095 1.00 0.00 H new ATOM 0 HB THR A 98 11.862 0.566 -7.882 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.648 -0.660 -7.105 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.357 -0.323 -5.625 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.865 1.381 -5.542 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.143 0.957 -5.392 1.00 0.00 H new ATOM 1529 N GLU A 99 11.746 3.935 -6.483 1.00 0.00 N ATOM 1530 CA GLU A 99 12.843 4.857 -6.210 1.00 0.00 C ATOM 1531 C GLU A 99 13.380 4.648 -4.798 1.00 0.00 C ATOM 1532 O GLU A 99 12.683 4.124 -3.929 1.00 0.00 O ATOM 1533 CB GLU A 99 12.363 6.300 -6.366 1.00 0.00 C ATOM 1534 CG GLU A 99 11.771 6.494 -7.765 1.00 0.00 C ATOM 1535 CD GLU A 99 12.861 6.335 -8.819 1.00 0.00 C ATOM 1536 OE1 GLU A 99 14.023 6.414 -8.457 1.00 0.00 O ATOM 1537 OE2 GLU A 99 12.517 6.135 -9.972 1.00 0.00 O ATOM 0 H GLU A 99 11.007 3.933 -5.780 1.00 0.00 H new ATOM 0 HA GLU A 99 13.643 4.661 -6.924 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.614 6.529 -5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.193 6.989 -6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.978 5.766 -7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.319 7.483 -7.844 1.00 0.00 H new ATOM 1544 N MET A 100 14.624 5.061 -4.577 1.00 0.00 N ATOM 1545 CA MET A 100 15.244 4.921 -3.264 1.00 0.00 C ATOM 1546 C MET A 100 14.830 6.070 -2.350 1.00 0.00 C ATOM 1547 O MET A 100 14.490 7.156 -2.818 1.00 0.00 O ATOM 1548 CB MET A 100 16.767 4.903 -3.405 1.00 0.00 C ATOM 1549 CG MET A 100 17.192 3.680 -4.221 1.00 0.00 C ATOM 1550 SD MET A 100 18.772 3.059 -3.596 1.00 0.00 S ATOM 1551 CE MET A 100 18.110 2.120 -2.198 1.00 0.00 C ATOM 0 H MET A 100 15.219 5.492 -5.284 1.00 0.00 H new ATOM 0 HA MET A 100 14.909 3.982 -2.823 1.00 0.00 H new ATOM 0 HB2 MET A 100 17.108 5.816 -3.894 1.00 0.00 H new ATOM 0 HB3 MET A 100 17.233 4.876 -2.420 1.00 0.00 H new ATOM 0 HG2 MET A 100 16.431 2.902 -4.154 1.00 0.00 H new ATOM 0 HG3 MET A 100 17.284 3.946 -5.274 1.00 0.00 H new ATOM 0 HE1 MET A 100 18.713 2.314 -1.311 1.00 0.00 H new ATOM 0 HE2 MET A 100 17.080 2.424 -2.010 1.00 0.00 H new ATOM 0 HE3 MET A 100 18.137 1.055 -2.429 1.00 0.00 H new ATOM 1561 N PHE A 101 14.864 5.823 -1.045 1.00 0.00 N ATOM 1562 CA PHE A 101 14.479 6.841 -0.074 1.00 0.00 C ATOM 1563 C PHE A 101 15.684 7.273 0.754 1.00 0.00 C ATOM 1564 O PHE A 101 16.519 8.053 0.294 1.00 0.00 O ATOM 1565 CB PHE A 101 13.389 6.297 0.852 1.00 0.00 C ATOM 1566 CG PHE A 101 12.921 7.396 1.774 1.00 0.00 C ATOM 1567 CD1 PHE A 101 12.645 8.669 1.261 1.00 0.00 C ATOM 1568 CD2 PHE A 101 12.718 7.131 3.134 1.00 0.00 C ATOM 1569 CE1 PHE A 101 12.179 9.680 2.109 1.00 0.00 C ATOM 1570 CE2 PHE A 101 12.251 8.142 3.982 1.00 0.00 C ATOM 1571 CZ PHE A 101 11.981 9.417 3.470 1.00 0.00 C ATOM 0 H PHE A 101 15.152 4.934 -0.637 1.00 0.00 H new ATOM 0 HA PHE A 101 14.095 7.705 -0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.552 5.919 0.264 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.775 5.459 1.433 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.792 8.871 0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.922 6.147 3.529 1.00 0.00 H new ATOM 0 HE1 PHE A 101 11.972 10.663 1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 101 12.099 7.939 5.032 1.00 0.00 H new ATOM 0 HZ PHE A 101 11.620 10.197 4.124 1.00 0.00 H new ATOM 1581 N ILE A 102 15.768 6.763 1.978 1.00 0.00 N ATOM 1582 CA ILE A 102 16.883 7.094 2.858 1.00 0.00 C ATOM 1583 C ILE A 102 17.477 5.828 3.472 1.00 0.00 C ATOM 1584 O ILE A 102 16.833 4.779 3.498 1.00 0.00 O ATOM 1585 CB ILE A 102 16.409 8.028 3.971 1.00 0.00 C ATOM 1586 CG1 ILE A 102 15.494 7.258 4.928 1.00 0.00 C ATOM 1587 CG2 ILE A 102 15.635 9.198 3.361 1.00 0.00 C ATOM 1588 CD1 ILE A 102 16.344 6.516 5.960 1.00 0.00 C ATOM 0 H ILE A 102 15.083 6.124 2.381 1.00 0.00 H new ATOM 0 HA ILE A 102 17.652 7.593 2.267 1.00 0.00 H new ATOM 0 HB ILE A 102 17.272 8.408 4.518 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.813 7.946 5.429 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.880 6.551 4.371 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.297 9.864 4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.284 9.747 2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.772 8.818 2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.693 5.968 6.641 1.00 0.00 H new ATOM 0 HD12 ILE A 102 17.007 5.817 5.450 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.939 7.234 6.525 1.00 0.00 H new ATOM 1600 N GLU A 103 18.707 5.936 3.963 1.00 0.00 N ATOM 1601 CA GLU A 103 19.375 4.796 4.581 1.00 0.00 C ATOM 1602 C GLU A 103 20.027 5.204 5.897 1.00 0.00 C ATOM 1603 O GLU A 103 19.914 6.353 6.327 1.00 0.00 O ATOM 1604 CB GLU A 103 20.437 4.237 3.633 1.00 0.00 C ATOM 1605 CG GLU A 103 21.564 5.258 3.470 1.00 0.00 C ATOM 1606 CD GLU A 103 22.584 4.751 2.456 1.00 0.00 C ATOM 1607 OE1 GLU A 103 22.433 3.627 2.005 1.00 0.00 O ATOM 1608 OE2 GLU A 103 23.501 5.493 2.146 1.00 0.00 O ATOM 0 H GLU A 103 19.258 6.794 3.946 1.00 0.00 H new ATOM 0 HA GLU A 103 18.629 4.028 4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 103 20.834 3.301 4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 103 19.992 4.013 2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 103 21.156 6.213 3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 103 22.049 5.433 4.430 1.00 0.00 H new ATOM 1615 N GLY A 104 20.711 4.258 6.532 1.00 0.00 N ATOM 1616 CA GLY A 104 21.385 4.532 7.797 1.00 0.00 C ATOM 1617 C GLY A 104 20.544 4.057 8.976 1.00 0.00 C ATOM 1618 O GLY A 104 19.681 3.191 8.827 1.00 0.00 O ATOM 0 H GLY A 104 20.813 3.301 6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.354 4.034 7.812 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.575 5.601 7.888 1.00 0.00 H new ATOM 1622 N ARG A 105 20.801 4.628 10.149 1.00 0.00 N ATOM 1623 CA ARG A 105 20.065 4.249 11.350 1.00 0.00 C ATOM 1624 C ARG A 105 18.921 5.227 11.605 1.00 0.00 C ATOM 1625 O ARG A 105 19.031 6.416 11.305 1.00 0.00 O ATOM 1626 CB ARG A 105 21.007 4.232 12.556 1.00 0.00 C ATOM 1627 CG ARG A 105 20.347 3.473 13.709 1.00 0.00 C ATOM 1628 CD ARG A 105 20.655 1.981 13.579 1.00 0.00 C ATOM 1629 NE ARG A 105 20.017 1.237 14.659 1.00 0.00 N ATOM 1630 CZ ARG A 105 20.218 -0.068 14.808 1.00 0.00 C ATOM 1631 NH1 ARG A 105 20.999 -0.707 13.981 1.00 0.00 N ATOM 1632 NH2 ARG A 105 19.634 -0.711 15.783 1.00 0.00 N ATOM 0 H ARG A 105 21.508 5.349 10.293 1.00 0.00 H new ATOM 0 HA ARG A 105 19.650 3.252 11.202 1.00 0.00 H new ATOM 0 HB2 ARG A 105 21.951 3.757 12.287 1.00 0.00 H new ATOM 0 HB3 ARG A 105 21.239 5.252 12.864 1.00 0.00 H new ATOM 0 HG2 ARG A 105 20.714 3.849 14.664 1.00 0.00 H new ATOM 0 HG3 ARG A 105 19.269 3.635 13.696 1.00 0.00 H new ATOM 0 HD2 ARG A 105 20.302 1.612 12.616 1.00 0.00 H new ATOM 0 HD3 ARG A 105 21.733 1.821 13.606 1.00 0.00 H new ATOM 0 HE ARG A 105 19.405 1.727 15.312 1.00 0.00 H new ATOM 0 HH11 ARG A 105 21.456 -0.205 13.220 1.00 0.00 H new ATOM 0 HH12 ARG A 105 21.153 -1.709 14.096 1.00 0.00 H new ATOM 0 HH21 ARG A 105 19.024 -0.212 16.430 1.00 0.00 H new ATOM 0 HH22 ARG A 105 19.788 -1.713 15.898 1.00 0.00 H new ATOM 1646 N VAL A 106 17.825 4.718 12.159 1.00 0.00 N ATOM 1647 CA VAL A 106 16.668 5.558 12.443 1.00 0.00 C ATOM 1648 C VAL A 106 16.150 5.307 13.855 1.00 0.00 C ATOM 1649 O VAL A 106 16.064 4.163 14.303 1.00 0.00 O ATOM 1650 CB VAL A 106 15.555 5.272 11.433 1.00 0.00 C ATOM 1651 CG1 VAL A 106 14.543 6.419 11.447 1.00 0.00 C ATOM 1652 CG2 VAL A 106 16.159 5.144 10.032 1.00 0.00 C ATOM 0 H VAL A 106 17.714 3.738 12.418 1.00 0.00 H new ATOM 0 HA VAL A 106 16.975 6.601 12.363 1.00 0.00 H new ATOM 0 HB VAL A 106 15.053 4.342 11.701 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.751 6.214 10.727 1.00 0.00 H new ATOM 0 HG12 VAL A 106 14.112 6.512 12.444 1.00 0.00 H new ATOM 0 HG13 VAL A 106 15.044 7.350 11.180 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.367 4.940 9.312 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.661 6.074 9.766 1.00 0.00 H new ATOM 0 HG23 VAL A 106 16.880 4.326 10.020 1.00 0.00 H new ATOM 1662 N ASN A 107 15.803 6.385 14.551 1.00 0.00 N ATOM 1663 CA ASN A 107 15.292 6.276 15.913 1.00 0.00 C ATOM 1664 C ASN A 107 14.144 7.256 16.128 1.00 0.00 C ATOM 1665 O ASN A 107 14.303 8.463 15.946 1.00 0.00 O ATOM 1666 CB ASN A 107 16.410 6.567 16.917 1.00 0.00 C ATOM 1667 CG ASN A 107 16.639 8.071 17.021 1.00 0.00 C ATOM 1668 OD1 ASN A 107 17.662 8.609 16.414 1.00 0.00 O flip ATOM 1669 ND2 ASN A 107 15.866 8.774 17.671 1.00 0.00 N flip ATOM 0 H ASN A 107 15.866 7.339 14.197 1.00 0.00 H new ATOM 0 HA ASN A 107 14.925 5.261 16.066 1.00 0.00 H new ATOM 0 HB2 ASN A 107 16.147 6.162 17.894 1.00 0.00 H new ATOM 0 HB3 ASN A 107 17.329 6.072 16.604 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.068 8.351 18.144 1.00 0.00 H new ATOM 0 HD22 ASN A 107 16.024 9.780 17.736 1.00 0.00 H new ATOM 1676 N GLY A 108 12.985 6.731 16.511 1.00 0.00 N ATOM 1677 CA GLY A 108 11.819 7.574 16.749 1.00 0.00 C ATOM 1678 C GLY A 108 11.652 8.589 15.624 1.00 0.00 C ATOM 1679 O GLY A 108 12.305 9.633 15.616 1.00 0.00 O ATOM 0 H GLY A 108 12.828 5.735 16.662 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.925 6.955 16.823 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.927 8.093 17.701 1.00 0.00 H new ATOM 1683 N PHE A 109 10.778 8.275 14.672 1.00 0.00 N ATOM 1684 CA PHE A 109 10.550 9.168 13.541 1.00 0.00 C ATOM 1685 C PHE A 109 9.063 9.251 13.209 1.00 0.00 C ATOM 1686 O PHE A 109 8.289 8.355 13.549 1.00 0.00 O ATOM 1687 CB PHE A 109 11.316 8.661 12.319 1.00 0.00 C ATOM 1688 CG PHE A 109 10.886 7.246 12.010 1.00 0.00 C ATOM 1689 CD1 PHE A 109 11.463 6.172 12.700 1.00 0.00 C ATOM 1690 CD2 PHE A 109 9.905 7.009 11.041 1.00 0.00 C ATOM 1691 CE1 PHE A 109 11.059 4.862 12.418 1.00 0.00 C ATOM 1692 CE2 PHE A 109 9.499 5.698 10.760 1.00 0.00 C ATOM 1693 CZ PHE A 109 10.078 4.625 11.449 1.00 0.00 C ATOM 0 H PHE A 109 10.222 7.420 14.660 1.00 0.00 H new ATOM 0 HA PHE A 109 10.905 10.163 13.811 1.00 0.00 H new ATOM 0 HB2 PHE A 109 11.124 9.307 11.462 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.389 8.694 12.509 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.219 6.355 13.449 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.460 7.837 10.509 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.505 4.034 12.949 1.00 0.00 H new ATOM 0 HE2 PHE A 109 8.741 5.515 10.013 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.767 3.614 11.232 1.00 0.00 H new ATOM 1703 N LYS A 110 8.673 10.332 12.541 1.00 0.00 N ATOM 1704 CA LYS A 110 7.280 10.518 12.152 1.00 0.00 C ATOM 1705 C LYS A 110 7.121 10.337 10.646 1.00 0.00 C ATOM 1706 O LYS A 110 7.868 10.918 9.858 1.00 0.00 O ATOM 1707 CB LYS A 110 6.808 11.917 12.554 1.00 0.00 C ATOM 1708 CG LYS A 110 7.295 12.234 13.970 1.00 0.00 C ATOM 1709 CD LYS A 110 8.597 13.033 13.896 1.00 0.00 C ATOM 1710 CE LYS A 110 9.168 13.210 15.304 1.00 0.00 C ATOM 1711 NZ LYS A 110 9.323 11.875 15.949 1.00 0.00 N ATOM 0 H LYS A 110 9.297 11.088 12.259 1.00 0.00 H new ATOM 0 HA LYS A 110 6.673 9.771 12.664 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.192 12.657 11.852 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.720 11.971 12.512 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.537 12.803 14.508 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.454 11.310 14.526 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.318 12.516 13.262 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.413 14.007 13.442 1.00 0.00 H new ATOM 0 HE2 LYS A 110 10.132 13.717 15.256 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.507 13.839 15.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.051 11.930 16.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.418 11.587 16.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 9.609 11.175 15.235 1.00 0.00 H new ATOM 1725 N SER A 111 6.149 9.520 10.254 1.00 0.00 N ATOM 1726 CA SER A 111 5.913 9.253 8.839 1.00 0.00 C ATOM 1727 C SER A 111 4.558 9.797 8.400 1.00 0.00 C ATOM 1728 O SER A 111 3.543 9.577 9.062 1.00 0.00 O ATOM 1729 CB SER A 111 5.968 7.747 8.579 1.00 0.00 C ATOM 1730 OG SER A 111 7.143 7.212 9.174 1.00 0.00 O ATOM 0 H SER A 111 5.516 9.035 10.890 1.00 0.00 H new ATOM 0 HA SER A 111 6.691 9.754 8.263 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.084 7.262 8.992 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.967 7.551 7.507 1.00 0.00 H new ATOM 0 HG SER A 111 7.182 6.246 9.011 1.00 0.00 H new ATOM 1736 N LYS A 112 4.552 10.505 7.274 1.00 0.00 N ATOM 1737 CA LYS A 112 3.315 11.061 6.734 1.00 0.00 C ATOM 1738 C LYS A 112 3.264 10.863 5.222 1.00 0.00 C ATOM 1739 O LYS A 112 4.191 11.244 4.507 1.00 0.00 O ATOM 1740 CB LYS A 112 3.223 12.552 7.059 1.00 0.00 C ATOM 1741 CG LYS A 112 1.812 13.056 6.750 1.00 0.00 C ATOM 1742 CD LYS A 112 1.802 14.586 6.750 1.00 0.00 C ATOM 1743 CE LYS A 112 2.294 15.099 8.106 1.00 0.00 C ATOM 1744 NZ LYS A 112 1.708 14.266 9.194 1.00 0.00 N ATOM 0 H LYS A 112 5.385 10.707 6.720 1.00 0.00 H new ATOM 0 HA LYS A 112 2.472 10.542 7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.459 12.721 8.110 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.955 13.108 6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.485 12.680 5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.109 12.678 7.492 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.441 14.965 5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.795 14.954 6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.382 15.059 8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.008 16.142 8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.688 14.813 10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.739 13.990 8.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.287 13.413 9.328 1.00 0.00 H new ATOM 1758 N MET A 113 2.182 10.259 4.742 1.00 0.00 N ATOM 1759 CA MET A 113 2.036 10.003 3.313 1.00 0.00 C ATOM 1760 C MET A 113 0.634 10.366 2.832 1.00 0.00 C ATOM 1761 O MET A 113 -0.277 10.570 3.635 1.00 0.00 O ATOM 1762 CB MET A 113 2.308 8.527 3.019 1.00 0.00 C ATOM 1763 CG MET A 113 3.694 8.149 3.542 1.00 0.00 C ATOM 1764 SD MET A 113 3.586 7.744 5.303 1.00 0.00 S ATOM 1765 CE MET A 113 3.089 6.015 5.106 1.00 0.00 C ATOM 0 H MET A 113 1.400 9.940 5.314 1.00 0.00 H new ATOM 0 HA MET A 113 2.757 10.624 2.782 1.00 0.00 H new ATOM 0 HB2 MET A 113 1.548 7.905 3.491 1.00 0.00 H new ATOM 0 HB3 MET A 113 2.250 8.342 1.946 1.00 0.00 H new ATOM 0 HG2 MET A 113 4.084 7.297 2.985 1.00 0.00 H new ATOM 0 HG3 MET A 113 4.389 8.975 3.390 1.00 0.00 H new ATOM 0 HE1 MET A 113 2.487 5.710 5.962 1.00 0.00 H new ATOM 0 HE2 MET A 113 2.503 5.907 4.193 1.00 0.00 H new ATOM 0 HE3 MET A 113 3.977 5.386 5.044 1.00 0.00 H new ATOM 1775 N ASP A 114 0.473 10.441 1.515 1.00 0.00 N ATOM 1776 CA ASP A 114 -0.819 10.774 0.926 1.00 0.00 C ATOM 1777 C ASP A 114 -0.903 10.241 -0.502 1.00 0.00 C ATOM 1778 O ASP A 114 0.095 9.789 -1.064 1.00 0.00 O ATOM 1779 CB ASP A 114 -1.016 12.291 0.920 1.00 0.00 C ATOM 1780 CG ASP A 114 -2.498 12.624 0.783 1.00 0.00 C ATOM 1781 OD1 ASP A 114 -3.047 12.367 -0.278 1.00 0.00 O ATOM 1782 OD2 ASP A 114 -3.062 13.130 1.737 1.00 0.00 O ATOM 0 H ASP A 114 1.218 10.276 0.838 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.604 10.311 1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.622 12.721 1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.457 12.735 0.096 1.00 0.00 H new ATOM 1787 N ALA A 115 -2.098 10.292 -1.082 1.00 0.00 N ATOM 1788 CA ALA A 115 -2.293 9.808 -2.445 1.00 0.00 C ATOM 1789 C ALA A 115 -2.818 10.921 -3.343 1.00 0.00 C ATOM 1790 O ALA A 115 -4.025 11.146 -3.430 1.00 0.00 O ATOM 1791 CB ALA A 115 -3.281 8.639 -2.448 1.00 0.00 C ATOM 0 H ALA A 115 -2.938 10.659 -0.635 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.330 9.472 -2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.421 8.284 -3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.889 7.829 -1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.238 8.970 -2.045 1.00 0.00 H new ATOM 1797 N LEU A 116 -1.903 11.615 -4.012 1.00 0.00 N ATOM 1798 CA LEU A 116 -2.283 12.706 -4.901 1.00 0.00 C ATOM 1799 C LEU A 116 -2.473 12.195 -6.326 1.00 0.00 C ATOM 1800 O LEU A 116 -1.853 11.211 -6.732 1.00 0.00 O ATOM 1801 CB LEU A 116 -1.205 13.792 -4.883 1.00 0.00 C ATOM 1802 CG LEU A 116 -0.675 13.960 -3.458 1.00 0.00 C ATOM 1803 CD1 LEU A 116 0.284 15.151 -3.404 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -1.847 14.207 -2.506 1.00 0.00 C ATOM 0 H LEU A 116 -0.899 11.443 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.226 13.125 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.391 13.523 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.617 14.735 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.146 13.055 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.661 15.269 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.119 14.977 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.244 16.057 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.471 14.327 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.376 15.112 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.530 13.359 -2.542 1.00 0.00 H new ATOM 1816 N PRO A 117 -3.318 12.841 -7.080 1.00 0.00 N ATOM 1817 CA PRO A 117 -3.594 12.461 -8.496 1.00 0.00 C ATOM 1818 C PRO A 117 -2.458 12.864 -9.432 1.00 0.00 C ATOM 1819 O PRO A 117 -1.967 13.992 -9.379 1.00 0.00 O ATOM 1820 CB PRO A 117 -4.878 13.222 -8.841 1.00 0.00 C ATOM 1821 CG PRO A 117 -4.878 14.428 -7.961 1.00 0.00 C ATOM 1822 CD PRO A 117 -4.146 14.034 -6.680 1.00 0.00 C ATOM 0 HA PRO A 117 -3.691 11.382 -8.614 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.895 13.505 -9.894 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.759 12.606 -8.662 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.379 15.265 -8.450 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.897 14.748 -7.742 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.521 14.848 -6.312 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.846 13.784 -5.882 1.00 0.00 H new ATOM 1830 N LEU A 118 -2.045 11.936 -10.290 1.00 0.00 N ATOM 1831 CA LEU A 118 -0.961 12.206 -11.228 1.00 0.00 C ATOM 1832 C LEU A 118 -1.234 13.493 -12.000 1.00 0.00 C ATOM 1833 O LEU A 118 -2.189 13.573 -12.773 1.00 0.00 O ATOM 1834 CB LEU A 118 -0.813 11.042 -12.209 1.00 0.00 C ATOM 1835 CG LEU A 118 -0.595 9.743 -11.434 1.00 0.00 C ATOM 1836 CD1 LEU A 118 -0.952 8.553 -12.326 1.00 0.00 C ATOM 1837 CD2 LEU A 118 0.873 9.639 -11.013 1.00 0.00 C ATOM 0 H LEU A 118 -2.441 10.998 -10.355 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.036 12.321 -10.663 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -1.705 10.961 -12.830 1.00 0.00 H new ATOM 0 HB3 LEU A 118 0.027 11.223 -12.879 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.229 9.739 -10.547 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.797 7.626 -11.775 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -1.997 8.625 -12.628 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.317 8.559 -13.212 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.028 8.712 -10.460 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.507 9.643 -11.900 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.131 10.487 -10.379 1.00 0.00 H new ATOM 1849 N SER A 119 -0.389 14.495 -11.785 1.00 0.00 N ATOM 1850 CA SER A 119 -0.549 15.774 -12.469 1.00 0.00 C ATOM 1851 C SER A 119 0.085 15.723 -13.854 1.00 0.00 C ATOM 1852 O SER A 119 0.497 14.661 -14.321 1.00 0.00 O ATOM 1853 CB SER A 119 0.102 16.887 -11.649 1.00 0.00 C ATOM 1854 OG SER A 119 -0.582 17.020 -10.409 1.00 0.00 O ATOM 0 H SER A 119 0.407 14.449 -11.149 1.00 0.00 H new ATOM 0 HA SER A 119 -1.614 15.977 -12.577 1.00 0.00 H new ATOM 0 HB2 SER A 119 1.153 16.658 -11.475 1.00 0.00 H new ATOM 0 HB3 SER A 119 0.067 17.827 -12.199 1.00 0.00 H new ATOM 0 HG SER A 119 -0.165 17.732 -9.880 1.00 0.00 H new ATOM 1860 N GLU A 120 0.159 16.878 -14.508 1.00 0.00 N ATOM 1861 CA GLU A 120 0.742 16.952 -15.842 1.00 0.00 C ATOM 1862 C GLU A 120 2.201 16.509 -15.810 1.00 0.00 C ATOM 1863 O GLU A 120 2.710 15.947 -16.780 1.00 0.00 O ATOM 1864 CB GLU A 120 0.652 18.384 -16.374 1.00 0.00 C ATOM 1865 CG GLU A 120 1.552 19.297 -15.541 1.00 0.00 C ATOM 1866 CD GLU A 120 1.285 20.756 -15.895 1.00 0.00 C ATOM 1867 OE1 GLU A 120 0.128 21.144 -15.892 1.00 0.00 O ATOM 1868 OE2 GLU A 120 2.241 21.464 -16.167 1.00 0.00 O ATOM 0 H GLU A 120 -0.175 17.769 -14.139 1.00 0.00 H new ATOM 0 HA GLU A 120 0.185 16.286 -16.501 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.955 18.414 -17.421 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.379 18.735 -16.331 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.368 19.132 -14.479 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.599 19.055 -15.725 1.00 0.00 H new ATOM 1875 N GLU A 121 2.867 16.766 -14.689 1.00 0.00 N ATOM 1876 CA GLU A 121 4.267 16.388 -14.541 1.00 0.00 C ATOM 1877 C GLU A 121 4.450 14.898 -14.813 1.00 0.00 C ATOM 1878 O GLU A 121 5.415 14.489 -15.459 1.00 0.00 O ATOM 1879 CB GLU A 121 4.751 16.714 -13.126 1.00 0.00 C ATOM 1880 CG GLU A 121 6.269 16.544 -13.053 1.00 0.00 C ATOM 1881 CD GLU A 121 6.956 17.633 -13.871 1.00 0.00 C ATOM 1882 OE1 GLU A 121 6.354 18.679 -14.052 1.00 0.00 O ATOM 1883 OE2 GLU A 121 8.074 17.405 -14.303 1.00 0.00 O ATOM 0 H GLU A 121 2.463 17.231 -13.876 1.00 0.00 H new ATOM 0 HA GLU A 121 4.855 16.954 -15.264 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.476 17.735 -12.863 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.266 16.057 -12.404 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.599 16.594 -12.015 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.552 15.561 -13.430 1.00 0.00 H new ATOM 1890 N TYR A 122 3.516 14.092 -14.317 1.00 0.00 N ATOM 1891 CA TYR A 122 3.583 12.650 -14.521 1.00 0.00 C ATOM 1892 C TYR A 122 3.474 12.318 -16.006 1.00 0.00 C ATOM 1893 O TYR A 122 4.180 11.444 -16.509 1.00 0.00 O ATOM 1894 CB TYR A 122 2.451 11.959 -13.758 1.00 0.00 C ATOM 1895 CG TYR A 122 2.390 10.505 -14.157 1.00 0.00 C ATOM 1896 CD1 TYR A 122 3.394 9.623 -13.739 1.00 0.00 C ATOM 1897 CD2 TYR A 122 1.328 10.036 -14.938 1.00 0.00 C ATOM 1898 CE1 TYR A 122 3.337 8.273 -14.105 1.00 0.00 C ATOM 1899 CE2 TYR A 122 1.270 8.686 -15.304 1.00 0.00 C ATOM 1900 CZ TYR A 122 2.275 7.804 -14.888 1.00 0.00 C ATOM 1901 OH TYR A 122 2.218 6.474 -15.249 1.00 0.00 O ATOM 0 H TYR A 122 2.711 14.409 -13.776 1.00 0.00 H new ATOM 0 HA TYR A 122 4.542 12.292 -14.146 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.616 12.046 -12.684 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.501 12.447 -13.975 1.00 0.00 H new ATOM 0 HD1 TYR A 122 4.213 9.984 -13.134 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.553 10.716 -15.259 1.00 0.00 H new ATOM 0 HE1 TYR A 122 4.112 7.593 -13.783 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.450 8.325 -15.907 1.00 0.00 H new ATOM 0 HH TYR A 122 1.417 6.316 -15.791 1.00 0.00 H new ATOM 1911 N ARG A 123 2.587 13.023 -16.702 1.00 0.00 N ATOM 1912 CA ARG A 123 2.395 12.795 -18.128 1.00 0.00 C ATOM 1913 C ARG A 123 3.701 13.015 -18.885 1.00 0.00 C ATOM 1914 O ARG A 123 4.055 12.239 -19.771 1.00 0.00 O ATOM 1915 CB ARG A 123 1.324 13.743 -18.670 1.00 0.00 C ATOM 1916 CG ARG A 123 0.005 13.500 -17.932 1.00 0.00 C ATOM 1917 CD ARG A 123 -0.749 12.351 -18.600 1.00 0.00 C ATOM 1918 NE ARG A 123 -1.026 12.673 -19.995 1.00 0.00 N ATOM 1919 CZ ARG A 123 -1.397 11.733 -20.857 1.00 0.00 C ATOM 1920 NH1 ARG A 123 -1.523 10.496 -20.460 1.00 0.00 N ATOM 1921 NH2 ARG A 123 -1.636 12.045 -22.102 1.00 0.00 N ATOM 0 H ARG A 123 1.994 13.752 -16.304 1.00 0.00 H new ATOM 0 HA ARG A 123 2.073 11.764 -18.272 1.00 0.00 H new ATOM 0 HB2 ARG A 123 1.640 14.778 -18.540 1.00 0.00 H new ATOM 0 HB3 ARG A 123 1.189 13.583 -19.740 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.200 13.262 -16.886 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.603 14.404 -17.945 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -0.159 11.436 -18.541 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.683 12.163 -18.070 1.00 0.00 H new ATOM 0 HE ARG A 123 -0.933 13.637 -20.315 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -1.337 10.251 -19.488 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -1.808 9.774 -21.122 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -1.538 13.011 -22.413 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -1.921 11.322 -22.763 1.00 0.00 H new ATOM 1935 N GLN A 124 4.412 14.079 -18.527 1.00 0.00 N ATOM 1936 CA GLN A 124 5.683 14.390 -19.170 1.00 0.00 C ATOM 1937 C GLN A 124 6.747 13.371 -18.776 1.00 0.00 C ATOM 1938 O GLN A 124 7.564 12.962 -19.600 1.00 0.00 O ATOM 1939 CB GLN A 124 6.142 15.792 -18.770 1.00 0.00 C ATOM 1940 CG GLN A 124 7.357 16.191 -19.610 1.00 0.00 C ATOM 1941 CD GLN A 124 7.876 17.552 -19.161 1.00 0.00 C ATOM 1942 OE1 GLN A 124 8.356 17.694 -18.036 1.00 0.00 O ATOM 1943 NE2 GLN A 124 7.810 18.568 -19.978 1.00 0.00 N ATOM 0 H GLN A 124 4.132 14.737 -17.800 1.00 0.00 H new ATOM 0 HA GLN A 124 5.541 14.350 -20.250 1.00 0.00 H new ATOM 0 HB2 GLN A 124 5.333 16.507 -18.919 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.396 15.814 -17.710 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.142 15.442 -19.508 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.085 16.226 -20.665 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.412 18.448 -20.910 1.00 0.00 H new ATOM 0 HE22 GLN A 124 8.156 19.481 -19.685 1.00 0.00 H new ATOM 1952 N HIS A 125 6.729 12.966 -17.510 1.00 0.00 N ATOM 1953 CA HIS A 125 7.694 11.990 -17.017 1.00 0.00 C ATOM 1954 C HIS A 125 7.692 10.745 -17.898 1.00 0.00 C ATOM 1955 O HIS A 125 8.747 10.273 -18.325 1.00 0.00 O ATOM 1956 CB HIS A 125 7.354 11.600 -15.578 1.00 0.00 C ATOM 1957 CG HIS A 125 7.976 10.268 -15.259 1.00 0.00 C ATOM 1958 ND1 HIS A 125 9.251 10.158 -14.728 1.00 0.00 N ATOM 1959 CD2 HIS A 125 7.507 8.984 -15.380 1.00 0.00 C ATOM 1960 CE1 HIS A 125 9.504 8.848 -14.550 1.00 0.00 C ATOM 1961 NE2 HIS A 125 8.473 8.089 -14.933 1.00 0.00 N ATOM 0 H HIS A 125 6.062 13.295 -16.812 1.00 0.00 H new ATOM 0 HA HIS A 125 8.686 12.441 -17.045 1.00 0.00 H new ATOM 0 HB2 HIS A 125 7.721 12.359 -14.888 1.00 0.00 H new ATOM 0 HB3 HIS A 125 6.273 11.549 -15.450 1.00 0.00 H new ATOM 0 HD2 HIS A 125 6.535 8.710 -15.764 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.427 8.458 -14.147 1.00 0.00 H new ATOM 0 HE2 HIS A 125 8.408 7.071 -14.904 1.00 0.00 H new ATOM 1970 N GLN A 126 6.502 10.219 -18.166 1.00 0.00 N ATOM 1971 CA GLN A 126 6.373 9.030 -19.000 1.00 0.00 C ATOM 1972 C GLN A 126 6.871 9.310 -20.413 1.00 0.00 C ATOM 1973 O GLN A 126 7.443 8.437 -21.065 1.00 0.00 O ATOM 1974 CB GLN A 126 4.910 8.584 -19.048 1.00 0.00 C ATOM 1975 CG GLN A 126 4.435 8.232 -17.638 1.00 0.00 C ATOM 1976 CD GLN A 126 5.171 6.995 -17.133 1.00 0.00 C ATOM 1977 OE1 GLN A 126 5.788 6.221 -17.985 1.00 0.00 O flip ATOM 1978 NE2 GLN A 126 5.186 6.727 -15.932 1.00 0.00 N flip ATOM 0 H GLN A 126 5.619 10.594 -17.821 1.00 0.00 H new ATOM 0 HA GLN A 126 6.980 8.236 -18.566 1.00 0.00 H new ATOM 0 HB2 GLN A 126 4.290 9.379 -19.464 1.00 0.00 H new ATOM 0 HB3 GLN A 126 4.804 7.721 -19.705 1.00 0.00 H new ATOM 0 HG2 GLN A 126 4.613 9.071 -16.965 1.00 0.00 H new ATOM 0 HG3 GLN A 126 3.360 8.049 -17.642 1.00 0.00 H new ATOM 0 HE21 GLN A 126 4.704 7.333 -15.268 1.00 0.00 H new ATOM 0 HE22 GLN A 126 5.681 5.899 -15.600 1.00 0.00 H new ATOM 1987 N ALA A 127 6.648 10.534 -20.881 1.00 0.00 N ATOM 1988 CA ALA A 127 7.086 10.921 -22.218 1.00 0.00 C ATOM 1989 C ALA A 127 8.609 10.917 -22.303 1.00 0.00 C ATOM 1990 O ALA A 127 9.182 10.536 -23.324 1.00 0.00 O ATOM 1991 CB ALA A 127 6.557 12.316 -22.558 1.00 0.00 C ATOM 0 H ALA A 127 6.171 11.270 -20.360 1.00 0.00 H new ATOM 0 HA ALA A 127 6.691 10.200 -22.933 1.00 0.00 H new ATOM 0 HB1 ALA A 127 6.889 12.597 -23.558 1.00 0.00 H new ATOM 0 HB2 ALA A 127 5.468 12.310 -22.525 1.00 0.00 H new ATOM 0 HB3 ALA A 127 6.938 13.036 -21.834 1.00 0.00 H new ATOM 1997 N GLU A 128 9.257 11.343 -21.223 1.00 0.00 N ATOM 1998 CA GLU A 128 10.714 11.384 -21.186 1.00 0.00 C ATOM 1999 C GLU A 128 11.292 9.977 -21.303 1.00 0.00 C ATOM 2000 O GLU A 128 12.347 9.777 -21.906 1.00 0.00 O ATOM 2001 CB GLU A 128 11.185 12.023 -19.877 1.00 0.00 C ATOM 2002 CG GLU A 128 10.809 13.506 -19.869 1.00 0.00 C ATOM 2003 CD GLU A 128 11.616 14.255 -20.924 1.00 0.00 C ATOM 2004 OE1 GLU A 128 12.613 13.713 -21.374 1.00 0.00 O ATOM 2005 OE2 GLU A 128 11.226 15.358 -21.267 1.00 0.00 O ATOM 0 H GLU A 128 8.800 11.662 -20.369 1.00 0.00 H new ATOM 0 HA GLU A 128 11.064 11.980 -22.029 1.00 0.00 H new ATOM 0 HB2 GLU A 128 10.727 11.516 -19.027 1.00 0.00 H new ATOM 0 HB3 GLU A 128 12.264 11.910 -19.772 1.00 0.00 H new ATOM 0 HG2 GLU A 128 9.743 13.620 -20.066 1.00 0.00 H new ATOM 0 HG3 GLU A 128 10.999 13.932 -18.884 1.00 0.00 H new ATOM 2012 N LYS A 129 10.594 9.006 -20.724 1.00 0.00 N ATOM 2013 CA LYS A 129 11.047 7.620 -20.770 1.00 0.00 C ATOM 2014 C LYS A 129 11.179 7.148 -22.214 1.00 0.00 C ATOM 2015 O LYS A 129 12.030 6.316 -22.529 1.00 0.00 O ATOM 2016 CB LYS A 129 10.058 6.722 -20.026 1.00 0.00 C ATOM 2017 CG LYS A 129 10.066 7.075 -18.537 1.00 0.00 C ATOM 2018 CD LYS A 129 9.083 6.170 -17.792 1.00 0.00 C ATOM 2019 CE LYS A 129 9.825 4.946 -17.254 1.00 0.00 C ATOM 2020 NZ LYS A 129 10.365 4.151 -18.393 1.00 0.00 N ATOM 0 H LYS A 129 9.719 9.151 -20.221 1.00 0.00 H new ATOM 0 HA LYS A 129 12.023 7.560 -20.289 1.00 0.00 H new ATOM 0 HB2 LYS A 129 9.056 6.850 -20.435 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.327 5.675 -20.164 1.00 0.00 H new ATOM 0 HG2 LYS A 129 11.069 6.953 -18.129 1.00 0.00 H new ATOM 0 HG3 LYS A 129 9.790 8.120 -18.399 1.00 0.00 H new ATOM 0 HD2 LYS A 129 8.619 6.717 -16.971 1.00 0.00 H new ATOM 0 HD3 LYS A 129 8.281 5.858 -18.461 1.00 0.00 H new ATOM 0 HE2 LYS A 129 10.637 5.259 -16.598 1.00 0.00 H new ATOM 0 HE3 LYS A 129 9.151 4.333 -16.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 10.594 3.190 -18.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 9.653 4.100 -19.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 11.225 4.607 -18.758 1.00 0.00 H new ATOM 2034 N ASP A 130 10.332 7.684 -23.086 1.00 0.00 N ATOM 2035 CA ASP A 130 10.363 7.309 -24.496 1.00 0.00 C ATOM 2036 C ASP A 130 10.139 5.808 -24.656 1.00 0.00 C ATOM 2037 O ASP A 130 10.401 5.030 -23.738 1.00 0.00 O ATOM 2038 CB ASP A 130 11.712 7.693 -25.109 1.00 0.00 C ATOM 2039 CG ASP A 130 11.643 7.582 -26.628 1.00 0.00 C ATOM 2040 OD1 ASP A 130 10.554 7.381 -27.140 1.00 0.00 O ATOM 2041 OD2 ASP A 130 12.681 7.698 -27.258 1.00 0.00 O ATOM 0 H ASP A 130 9.621 8.374 -22.845 1.00 0.00 H new ATOM 0 HA ASP A 130 9.564 7.842 -25.012 1.00 0.00 H new ATOM 0 HB2 ASP A 130 11.975 8.711 -24.822 1.00 0.00 H new ATOM 0 HB3 ASP A 130 12.495 7.041 -24.723 1.00 0.00 H new ATOM 2046 N LYS A 131 9.651 5.410 -25.826 1.00 0.00 N ATOM 2047 CA LYS A 131 9.394 3.999 -26.095 1.00 0.00 C ATOM 2048 C LYS A 131 10.574 3.144 -25.644 1.00 0.00 C ATOM 2049 O LYS A 131 11.670 3.675 -25.568 1.00 0.00 O ATOM 2050 CB LYS A 131 9.151 3.788 -27.591 1.00 0.00 C ATOM 2051 CG LYS A 131 10.390 4.224 -28.376 1.00 0.00 C ATOM 2052 CD LYS A 131 10.122 4.076 -29.875 1.00 0.00 C ATOM 2053 CE LYS A 131 9.416 5.330 -30.395 1.00 0.00 C ATOM 2054 NZ LYS A 131 9.237 5.223 -31.871 1.00 0.00 N ATOM 2055 OXT LYS A 131 10.364 1.971 -25.382 1.00 0.00 O ATOM 0 H LYS A 131 9.427 6.038 -26.598 1.00 0.00 H new ATOM 0 HA LYS A 131 8.507 3.698 -25.537 1.00 0.00 H new ATOM 0 HB2 LYS A 131 8.932 2.739 -27.790 1.00 0.00 H new ATOM 0 HB3 LYS A 131 8.282 4.362 -27.914 1.00 0.00 H new ATOM 0 HG2 LYS A 131 10.637 5.259 -28.140 1.00 0.00 H new ATOM 0 HG3 LYS A 131 11.249 3.618 -28.088 1.00 0.00 H new ATOM 0 HD2 LYS A 131 11.060 3.926 -30.410 1.00 0.00 H new ATOM 0 HD3 LYS A 131 9.506 3.196 -30.060 1.00 0.00 H new ATOM 0 HE2 LYS A 131 8.448 5.444 -29.908 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.001 6.217 -30.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 8.757 6.075 -32.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 10.167 5.134 -32.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 8.662 4.385 -32.091 1.00 0.00 H new TER 2069 LYS A 131