USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 917 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 15 SER OG : rot -150:sc= 0 USER MOD Set 1.2: A 85 LYS NZ :NH3+ -114:sc= 0 (180deg=-1.69!) USER MOD Set 2.1: A 39 GLN : amide:sc= -0.112 K(o=-0.48,f=-1.1) USER MOD Set 2.2: A 41 TYR OH : rot -70:sc= -0.365 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.508) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.351 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0399) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0234) USER MOD Single : A 28 SER OG : rot 37:sc= 0.982 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.323 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.0233 USER MOD Single : A 43 SER OG : rot 104:sc= 0.446 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 50 ASN : amide:sc= -0.777 K(o=-0.78,f=0.0069) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 25:sc= 0.16 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 12:sc= -1.04 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.917 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 MET CE :methyl -116:sc= -0.183 (180deg=-1.73!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc=-0.00383 K(o=-0.0038,f=-2.6!) USER MOD Single : A 98 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.88) USER MOD Single : A 100 GLN : amide:sc= -0.0098 X(o=-0.0098,f=0) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.0437 X(o=-0.044,f=-0.03) USER MOD Single : A 108 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.17) USER MOD Single : A 109 SER OG : rot -69:sc= 1.3 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.541 10.876 14.827 1.00 0.00 N ATOM 2 CA GLY A 1 -20.799 10.877 13.580 1.00 0.00 C ATOM 3 C GLY A 1 -19.328 10.573 13.780 1.00 0.00 C ATOM 4 O GLY A 1 -18.944 9.417 13.957 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.541 11.089 14.636 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.466 9.941 15.275 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.149 11.598 15.465 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.231 10.139 12.904 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.904 11.850 13.099 1.00 0.00 H new ATOM 8 N SER A 2 -18.501 11.613 13.752 1.00 0.00 N ATOM 9 CA SER A 2 -17.062 11.451 13.926 1.00 0.00 C ATOM 10 C SER A 2 -16.579 12.190 15.171 1.00 0.00 C ATOM 11 O SER A 2 -17.158 13.200 15.570 1.00 0.00 O ATOM 12 CB SER A 2 -16.317 11.965 12.693 1.00 0.00 C ATOM 13 OG SER A 2 -16.595 11.163 11.558 1.00 0.00 O ATOM 0 H SER A 2 -18.803 12.577 13.610 1.00 0.00 H new ATOM 0 HA SER A 2 -16.853 10.389 14.051 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.607 12.997 12.493 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.244 11.967 12.887 1.00 0.00 H new ATOM 0 HG SER A 2 -16.108 11.513 10.783 1.00 0.00 H new ATOM 19 N SER A 3 -15.514 11.678 15.779 1.00 0.00 N ATOM 20 CA SER A 3 -14.954 12.285 16.981 1.00 0.00 C ATOM 21 C SER A 3 -13.536 11.782 17.234 1.00 0.00 C ATOM 22 O SER A 3 -13.068 10.854 16.575 1.00 0.00 O ATOM 23 CB SER A 3 -15.839 11.981 18.191 1.00 0.00 C ATOM 24 OG SER A 3 -15.766 13.022 19.150 1.00 0.00 O ATOM 0 H SER A 3 -15.021 10.844 15.459 1.00 0.00 H new ATOM 0 HA SER A 3 -14.916 13.364 16.829 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.872 11.852 17.867 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.528 11.041 18.646 1.00 0.00 H new ATOM 0 HG SER A 3 -16.342 12.805 19.913 1.00 0.00 H new ATOM 30 N GLY A 4 -12.857 12.402 18.194 1.00 0.00 N ATOM 31 CA GLY A 4 -11.500 12.004 18.518 1.00 0.00 C ATOM 32 C GLY A 4 -10.464 12.922 17.901 1.00 0.00 C ATOM 33 O GLY A 4 -10.305 14.066 18.327 1.00 0.00 O ATOM 0 H GLY A 4 -13.223 13.173 18.753 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.376 11.997 19.601 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.331 10.985 18.171 1.00 0.00 H new ATOM 37 N SER A 5 -9.755 12.420 16.895 1.00 0.00 N ATOM 38 CA SER A 5 -8.724 13.202 16.221 1.00 0.00 C ATOM 39 C SER A 5 -8.836 13.056 14.706 1.00 0.00 C ATOM 40 O SER A 5 -9.247 12.012 14.200 1.00 0.00 O ATOM 41 CB SER A 5 -7.335 12.761 16.686 1.00 0.00 C ATOM 42 OG SER A 5 -7.129 13.082 18.051 1.00 0.00 O ATOM 0 H SER A 5 -9.875 11.476 16.529 1.00 0.00 H new ATOM 0 HA SER A 5 -8.870 14.251 16.480 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.224 11.686 16.541 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.573 13.246 16.076 1.00 0.00 H new ATOM 0 HG SER A 5 -6.235 12.789 18.325 1.00 0.00 H new ATOM 48 N SER A 6 -8.466 14.112 13.988 1.00 0.00 N ATOM 49 CA SER A 6 -8.527 14.104 12.531 1.00 0.00 C ATOM 50 C SER A 6 -7.150 13.835 11.931 1.00 0.00 C ATOM 51 O SER A 6 -6.126 14.159 12.529 1.00 0.00 O ATOM 52 CB SER A 6 -9.069 15.439 12.016 1.00 0.00 C ATOM 53 OG SER A 6 -10.332 15.732 12.588 1.00 0.00 O ATOM 0 H SER A 6 -8.121 14.983 14.391 1.00 0.00 H new ATOM 0 HA SER A 6 -9.200 13.304 12.224 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.365 16.237 12.253 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.157 15.405 10.930 1.00 0.00 H new ATOM 0 HG SER A 6 -10.656 16.591 12.244 1.00 0.00 H new ATOM 59 N GLY A 7 -7.136 13.240 10.742 1.00 0.00 N ATOM 60 CA GLY A 7 -5.881 12.937 10.079 1.00 0.00 C ATOM 61 C GLY A 7 -5.426 11.512 10.324 1.00 0.00 C ATOM 62 O GLY A 7 -4.267 11.272 10.665 1.00 0.00 O ATOM 0 H GLY A 7 -7.971 12.963 10.226 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.991 13.101 9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.113 13.626 10.430 1.00 0.00 H new ATOM 66 N LYS A 8 -6.339 10.563 10.151 1.00 0.00 N ATOM 67 CA LYS A 8 -6.027 9.153 10.355 1.00 0.00 C ATOM 68 C LYS A 8 -5.573 8.502 9.053 1.00 0.00 C ATOM 69 O LYS A 8 -5.981 7.386 8.730 1.00 0.00 O ATOM 70 CB LYS A 8 -7.247 8.414 10.910 1.00 0.00 C ATOM 71 CG LYS A 8 -7.534 8.723 12.369 1.00 0.00 C ATOM 72 CD LYS A 8 -8.583 7.785 12.942 1.00 0.00 C ATOM 73 CE LYS A 8 -7.962 6.483 13.425 1.00 0.00 C ATOM 74 NZ LYS A 8 -8.954 5.373 13.457 1.00 0.00 N ATOM 0 H LYS A 8 -7.302 10.745 9.870 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.212 9.088 11.076 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.121 8.674 10.313 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.093 7.341 10.798 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.614 8.638 12.948 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.876 9.754 12.463 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.096 8.274 13.770 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.335 7.571 12.183 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.134 6.211 12.771 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.546 6.627 14.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.491 4.504 13.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.732 5.621 14.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.332 5.218 12.501 1.00 0.00 H new ATOM 88 N LYS A 9 -4.727 9.205 8.308 1.00 0.00 N ATOM 89 CA LYS A 9 -4.215 8.695 7.042 1.00 0.00 C ATOM 90 C LYS A 9 -3.655 7.286 7.209 1.00 0.00 C ATOM 91 O LYS A 9 -3.534 6.784 8.327 1.00 0.00 O ATOM 92 CB LYS A 9 -3.130 9.625 6.495 1.00 0.00 C ATOM 93 CG LYS A 9 -1.980 9.852 7.460 1.00 0.00 C ATOM 94 CD LYS A 9 -0.791 10.498 6.769 1.00 0.00 C ATOM 95 CE LYS A 9 -0.880 12.016 6.811 1.00 0.00 C ATOM 96 NZ LYS A 9 -1.682 12.556 5.679 1.00 0.00 N ATOM 0 H LYS A 9 -4.381 10.131 8.560 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.043 8.656 6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.738 9.206 5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.579 10.586 6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.313 10.486 8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.676 8.900 7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.132 10.173 7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.745 10.164 5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.328 12.328 7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.124 12.440 6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.390 13.534 5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.526 11.971 4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.691 12.540 5.930 1.00 0.00 H new ATOM 110 N LEU A 10 -3.313 6.654 6.092 1.00 0.00 N ATOM 111 CA LEU A 10 -2.763 5.303 6.115 1.00 0.00 C ATOM 112 C LEU A 10 -1.288 5.309 5.726 1.00 0.00 C ATOM 113 O LEU A 10 -0.946 5.458 4.552 1.00 0.00 O ATOM 114 CB LEU A 10 -3.549 4.395 5.168 1.00 0.00 C ATOM 115 CG LEU A 10 -2.867 3.084 4.776 1.00 0.00 C ATOM 116 CD1 LEU A 10 -2.869 2.111 5.945 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.554 2.467 3.566 1.00 0.00 C ATOM 0 H LEU A 10 -3.407 7.055 5.159 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.850 4.919 7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.506 4.159 5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.767 4.954 4.258 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.832 3.300 4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.380 1.184 5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.332 2.551 6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.897 1.900 6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.056 1.535 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.598 2.265 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.501 3.159 2.725 1.00 0.00 H new ATOM 129 N CYS A 11 -0.420 5.143 6.717 1.00 0.00 N ATOM 130 CA CYS A 11 1.019 5.127 6.479 1.00 0.00 C ATOM 131 C CYS A 11 1.706 4.091 7.362 1.00 0.00 C ATOM 132 O CYS A 11 1.127 3.608 8.334 1.00 0.00 O ATOM 133 CB CYS A 11 1.615 6.512 6.738 1.00 0.00 C ATOM 134 SG CYS A 11 1.456 7.075 8.449 1.00 0.00 S ATOM 0 H CYS A 11 -0.687 5.018 7.693 1.00 0.00 H new ATOM 0 HA CYS A 11 1.186 4.856 5.437 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.671 6.498 6.468 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.128 7.234 6.082 1.00 0.00 H new ATOM 0 HG CYS A 11 1.991 8.254 8.569 1.00 0.00 H new ATOM 140 N GLY A 12 2.944 3.753 7.016 1.00 0.00 N ATOM 141 CA GLY A 12 3.689 2.774 7.787 1.00 0.00 C ATOM 142 C GLY A 12 4.954 2.323 7.084 1.00 0.00 C ATOM 143 O GLY A 12 5.055 2.406 5.860 1.00 0.00 O ATOM 0 H GLY A 12 3.445 4.139 6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.948 3.200 8.756 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.055 1.908 7.979 1.00 0.00 H new ATOM 147 N TYR A 13 5.921 1.846 7.859 1.00 0.00 N ATOM 148 CA TYR A 13 7.188 1.384 7.304 1.00 0.00 C ATOM 149 C TYR A 13 7.109 -0.090 6.920 1.00 0.00 C ATOM 150 O TYR A 13 6.736 -0.937 7.733 1.00 0.00 O ATOM 151 CB TYR A 13 8.319 1.601 8.310 1.00 0.00 C ATOM 152 CG TYR A 13 8.739 3.047 8.448 1.00 0.00 C ATOM 153 CD1 TYR A 13 9.677 3.604 7.588 1.00 0.00 C ATOM 154 CD2 TYR A 13 8.195 3.857 9.438 1.00 0.00 C ATOM 155 CE1 TYR A 13 10.063 4.924 7.711 1.00 0.00 C ATOM 156 CE2 TYR A 13 8.575 5.179 9.567 1.00 0.00 C ATOM 157 CZ TYR A 13 9.509 5.708 8.702 1.00 0.00 C ATOM 158 OH TYR A 13 9.891 7.024 8.826 1.00 0.00 O ATOM 0 H TYR A 13 5.852 1.769 8.874 1.00 0.00 H new ATOM 0 HA TYR A 13 7.395 1.964 6.405 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.003 1.229 9.285 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.182 1.008 8.007 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.112 2.994 6.810 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.463 3.446 10.118 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.795 5.341 7.035 1.00 0.00 H new ATOM 0 HE2 TYR A 13 8.143 5.795 10.342 1.00 0.00 H new ATOM 0 HH TYR A 13 9.407 7.436 9.572 1.00 0.00 H new ATOM 168 N LEU A 14 7.463 -0.390 5.675 1.00 0.00 N ATOM 169 CA LEU A 14 7.434 -1.763 5.181 1.00 0.00 C ATOM 170 C LEU A 14 8.799 -2.176 4.642 1.00 0.00 C ATOM 171 O LEU A 14 9.704 -1.351 4.516 1.00 0.00 O ATOM 172 CB LEU A 14 6.375 -1.909 4.087 1.00 0.00 C ATOM 173 CG LEU A 14 4.925 -1.694 4.523 1.00 0.00 C ATOM 174 CD1 LEU A 14 3.993 -1.754 3.323 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.523 -2.727 5.565 1.00 0.00 C ATOM 0 H LEU A 14 7.773 0.298 4.989 1.00 0.00 H new ATOM 0 HA LEU A 14 7.180 -2.418 6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.603 -1.200 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.460 -2.907 3.658 1.00 0.00 H new ATOM 0 HG LEU A 14 4.843 -0.704 4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.966 -1.599 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.267 -0.976 2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.077 -2.730 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.488 -2.559 5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.621 -3.727 5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.172 -2.636 6.436 1.00 0.00 H new ATOM 187 N SER A 15 8.940 -3.459 4.323 1.00 0.00 N ATOM 188 CA SER A 15 10.195 -3.983 3.799 1.00 0.00 C ATOM 189 C SER A 15 10.012 -4.515 2.381 1.00 0.00 C ATOM 190 O SER A 15 9.239 -5.445 2.149 1.00 0.00 O ATOM 191 CB SER A 15 10.729 -5.093 4.707 1.00 0.00 C ATOM 192 OG SER A 15 11.576 -4.565 5.713 1.00 0.00 O ATOM 0 H SER A 15 8.200 -4.154 4.419 1.00 0.00 H new ATOM 0 HA SER A 15 10.917 -3.167 3.772 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.895 -5.622 5.169 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.278 -5.822 4.111 1.00 0.00 H new ATOM 0 HG SER A 15 12.250 -5.233 5.957 1.00 0.00 H new ATOM 198 N LYS A 16 10.728 -3.918 1.434 1.00 0.00 N ATOM 199 CA LYS A 16 10.648 -4.331 0.038 1.00 0.00 C ATOM 200 C LYS A 16 11.682 -5.408 -0.272 1.00 0.00 C ATOM 201 O LYS A 16 12.852 -5.282 0.090 1.00 0.00 O ATOM 202 CB LYS A 16 10.858 -3.127 -0.884 1.00 0.00 C ATOM 203 CG LYS A 16 10.247 -3.304 -2.263 1.00 0.00 C ATOM 204 CD LYS A 16 10.344 -2.028 -3.083 1.00 0.00 C ATOM 205 CE LYS A 16 9.526 -2.124 -4.362 1.00 0.00 C ATOM 206 NZ LYS A 16 10.003 -3.226 -5.243 1.00 0.00 N ATOM 0 H LYS A 16 11.371 -3.146 1.608 1.00 0.00 H new ATOM 0 HA LYS A 16 9.655 -4.746 -0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.427 -2.242 -0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.927 -2.943 -0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.756 -4.114 -2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.201 -3.596 -2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.994 -1.184 -2.488 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.387 -1.832 -3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.478 -2.287 -4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.582 -1.178 -4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.501 -3.185 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.025 -3.122 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.817 -4.141 -4.786 1.00 0.00 H new ATOM 220 N PHE A 17 11.243 -6.467 -0.944 1.00 0.00 N ATOM 221 CA PHE A 17 12.131 -7.567 -1.303 1.00 0.00 C ATOM 222 C PHE A 17 12.927 -7.234 -2.562 1.00 0.00 C ATOM 223 O PHE A 17 12.612 -6.282 -3.275 1.00 0.00 O ATOM 224 CB PHE A 17 11.327 -8.851 -1.518 1.00 0.00 C ATOM 225 CG PHE A 17 12.180 -10.047 -1.831 1.00 0.00 C ATOM 226 CD1 PHE A 17 13.227 -10.405 -0.998 1.00 0.00 C ATOM 227 CD2 PHE A 17 11.935 -10.813 -2.959 1.00 0.00 C ATOM 228 CE1 PHE A 17 14.014 -11.504 -1.284 1.00 0.00 C ATOM 229 CE2 PHE A 17 12.718 -11.914 -3.251 1.00 0.00 C ATOM 230 CZ PHE A 17 13.758 -12.260 -2.412 1.00 0.00 C ATOM 0 H PHE A 17 10.278 -6.587 -1.251 1.00 0.00 H new ATOM 0 HA PHE A 17 12.831 -7.719 -0.481 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.741 -9.057 -0.623 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.620 -8.695 -2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.431 -9.818 -0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.122 -10.547 -3.618 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.828 -11.772 -0.627 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.516 -12.502 -4.134 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.371 -13.120 -2.637 1.00 0.00 H new ATOM 240 N GLY A 18 13.960 -8.028 -2.829 1.00 0.00 N ATOM 241 CA GLY A 18 14.785 -7.802 -4.001 1.00 0.00 C ATOM 242 C GLY A 18 13.969 -7.418 -5.220 1.00 0.00 C ATOM 243 O GLY A 18 13.106 -8.176 -5.660 1.00 0.00 O ATOM 0 H GLY A 18 14.240 -8.823 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.506 -7.013 -3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.356 -8.705 -4.219 1.00 0.00 H new ATOM 247 N GLY A 19 14.242 -6.237 -5.765 1.00 0.00 N ATOM 248 CA GLY A 19 13.516 -5.774 -6.934 1.00 0.00 C ATOM 249 C GLY A 19 14.191 -4.594 -7.605 1.00 0.00 C ATOM 250 O GLY A 19 14.406 -3.555 -6.981 1.00 0.00 O ATOM 0 H GLY A 19 14.953 -5.592 -5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.425 -6.592 -7.649 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.504 -5.492 -6.642 1.00 0.00 H new ATOM 254 N LYS A 20 14.527 -4.754 -8.880 1.00 0.00 N ATOM 255 CA LYS A 20 15.181 -3.693 -9.638 1.00 0.00 C ATOM 256 C LYS A 20 16.505 -3.300 -8.991 1.00 0.00 C ATOM 257 O LYS A 20 16.792 -2.117 -8.812 1.00 0.00 O ATOM 258 CB LYS A 20 14.266 -2.471 -9.738 1.00 0.00 C ATOM 259 CG LYS A 20 12.826 -2.814 -10.074 1.00 0.00 C ATOM 260 CD LYS A 20 12.609 -2.902 -11.575 1.00 0.00 C ATOM 261 CE LYS A 20 12.895 -4.301 -12.099 1.00 0.00 C ATOM 262 NZ LYS A 20 13.359 -4.279 -13.514 1.00 0.00 N ATOM 0 H LYS A 20 14.357 -5.608 -9.411 1.00 0.00 H new ATOM 0 HA LYS A 20 15.385 -4.069 -10.641 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.290 -1.931 -8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.657 -1.796 -10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.560 -3.764 -9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.163 -2.058 -9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.581 -2.627 -11.812 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.256 -2.184 -12.080 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.653 -4.774 -11.475 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.994 -4.909 -12.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.543 -5.251 -13.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.625 -3.850 -14.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.233 -3.720 -13.584 1.00 0.00 H new ATOM 276 N GLY A 21 17.309 -4.300 -8.643 1.00 0.00 N ATOM 277 CA GLY A 21 18.594 -4.037 -8.021 1.00 0.00 C ATOM 278 C GLY A 21 19.621 -5.106 -8.338 1.00 0.00 C ATOM 279 O GLY A 21 19.306 -6.150 -8.909 1.00 0.00 O ATOM 0 H GLY A 21 17.094 -5.287 -8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 21 18.966 -3.069 -8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 21 18.465 -3.971 -6.941 1.00 0.00 H new ATOM 283 N PRO A 22 20.883 -4.850 -7.962 1.00 0.00 N ATOM 284 CA PRO A 22 21.985 -5.786 -8.200 1.00 0.00 C ATOM 285 C PRO A 22 21.879 -7.038 -7.336 1.00 0.00 C ATOM 286 O PRO A 22 22.236 -8.134 -7.769 1.00 0.00 O ATOM 287 CB PRO A 22 23.227 -4.976 -7.819 1.00 0.00 C ATOM 288 CG PRO A 22 22.732 -3.960 -6.848 1.00 0.00 C ATOM 289 CD PRO A 22 21.330 -3.626 -7.277 1.00 0.00 C ATOM 0 HA PRO A 22 21.996 -6.150 -9.227 1.00 0.00 H new ATOM 0 HB2 PRO A 22 23.992 -5.611 -7.372 1.00 0.00 H new ATOM 0 HB3 PRO A 22 23.675 -4.503 -8.693 1.00 0.00 H new ATOM 0 HG2 PRO A 22 22.746 -4.353 -5.831 1.00 0.00 H new ATOM 0 HG3 PRO A 22 23.364 -3.072 -6.856 1.00 0.00 H new ATOM 0 HD2 PRO A 22 20.695 -3.388 -6.424 1.00 0.00 H new ATOM 0 HD3 PRO A 22 21.308 -2.762 -7.942 1.00 0.00 H new ATOM 297 N ILE A 23 21.387 -6.868 -6.114 1.00 0.00 N ATOM 298 CA ILE A 23 21.233 -7.985 -5.191 1.00 0.00 C ATOM 299 C ILE A 23 19.792 -8.102 -4.705 1.00 0.00 C ATOM 300 O ILE A 23 18.963 -7.233 -4.975 1.00 0.00 O ATOM 301 CB ILE A 23 22.163 -7.840 -3.972 1.00 0.00 C ATOM 302 CG1 ILE A 23 21.516 -6.944 -2.913 1.00 0.00 C ATOM 303 CG2 ILE A 23 23.510 -7.277 -4.398 1.00 0.00 C ATOM 304 CD1 ILE A 23 21.160 -5.566 -3.423 1.00 0.00 C ATOM 0 H ILE A 23 21.088 -5.967 -5.740 1.00 0.00 H new ATOM 0 HA ILE A 23 21.504 -8.887 -5.740 1.00 0.00 H new ATOM 0 HB ILE A 23 22.324 -8.826 -3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 23 20.614 -7.429 -2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.197 -6.845 -2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 23 24.156 -7.180 -3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 23 23.973 -7.949 -5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 23 23.367 -6.297 -4.854 1.00 0.00 H new ATOM 0 HD11 ILE A 23 20.706 -4.987 -2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.062 -5.062 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 23 20.455 -5.655 -4.249 1.00 0.00 H new ATOM 316 N ARG A 24 19.501 -9.182 -3.987 1.00 0.00 N ATOM 317 CA ARG A 24 18.160 -9.413 -3.463 1.00 0.00 C ATOM 318 C ARG A 24 18.152 -9.337 -1.939 1.00 0.00 C ATOM 319 O ARG A 24 19.139 -9.669 -1.285 1.00 0.00 O ATOM 320 CB ARG A 24 17.640 -10.777 -3.920 1.00 0.00 C ATOM 321 CG ARG A 24 18.246 -11.946 -3.160 1.00 0.00 C ATOM 322 CD ARG A 24 17.307 -13.142 -3.137 1.00 0.00 C ATOM 323 NE ARG A 24 17.555 -14.010 -1.988 1.00 0.00 N ATOM 324 CZ ARG A 24 17.115 -15.261 -1.904 1.00 0.00 C ATOM 325 NH1 ARG A 24 16.410 -15.787 -2.895 1.00 0.00 N ATOM 326 NH2 ARG A 24 17.382 -15.987 -0.826 1.00 0.00 N ATOM 0 H ARG A 24 20.176 -9.911 -3.755 1.00 0.00 H new ATOM 0 HA ARG A 24 17.505 -8.633 -3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 24 16.557 -10.801 -3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 24 17.849 -10.898 -4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.190 -12.232 -3.623 1.00 0.00 H new ATOM 0 HG3 ARG A 24 18.472 -11.640 -2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.275 -12.792 -3.111 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.427 -13.715 -4.057 1.00 0.00 H new ATOM 0 HE ARG A 24 18.095 -13.635 -1.208 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.204 -15.231 -3.725 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.074 -16.748 -2.828 1.00 0.00 H new ATOM 0 HH21 ARG A 24 17.925 -15.585 -0.062 1.00 0.00 H new ATOM 0 HH22 ARG A 24 17.044 -16.947 -0.761 1.00 0.00 H new ATOM 340 N GLY A 25 17.028 -8.897 -1.380 1.00 0.00 N ATOM 341 CA GLY A 25 16.912 -8.785 0.062 1.00 0.00 C ATOM 342 C GLY A 25 15.860 -7.779 0.482 1.00 0.00 C ATOM 343 O GLY A 25 15.310 -7.060 -0.353 1.00 0.00 O ATOM 0 H GLY A 25 16.197 -8.616 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.665 -9.761 0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.876 -8.494 0.479 1.00 0.00 H new ATOM 347 N TRP A 26 15.577 -7.727 1.779 1.00 0.00 N ATOM 348 CA TRP A 26 14.582 -6.802 2.308 1.00 0.00 C ATOM 349 C TRP A 26 15.226 -5.480 2.710 1.00 0.00 C ATOM 350 O TRP A 26 16.335 -5.456 3.245 1.00 0.00 O ATOM 351 CB TRP A 26 13.867 -7.422 3.510 1.00 0.00 C ATOM 352 CG TRP A 26 13.120 -8.677 3.174 1.00 0.00 C ATOM 353 CD1 TRP A 26 13.553 -9.960 3.348 1.00 0.00 C ATOM 354 CD2 TRP A 26 11.809 -8.767 2.604 1.00 0.00 C ATOM 355 NE1 TRP A 26 12.591 -10.843 2.921 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.511 -10.137 2.461 1.00 0.00 C ATOM 357 CE3 TRP A 26 10.858 -7.826 2.203 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.303 -10.584 1.933 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.660 -8.271 1.679 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.390 -9.640 1.549 1.00 0.00 C ATOM 0 H TRP A 26 16.023 -8.315 2.483 1.00 0.00 H new ATOM 0 HA TRP A 26 13.853 -6.605 1.522 1.00 0.00 H new ATOM 0 HB2 TRP A 26 14.600 -7.641 4.287 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.171 -6.693 3.925 1.00 0.00 H new ATOM 0 HD1 TRP A 26 14.511 -10.240 3.761 1.00 0.00 H new ATOM 0 HE1 TRP A 26 12.668 -11.860 2.943 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.056 -6.769 2.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.094 -11.639 1.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.919 -7.552 1.364 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.443 -9.956 1.138 1.00 0.00 H new ATOM 371 N LYS A 27 14.525 -4.381 2.451 1.00 0.00 N ATOM 372 CA LYS A 27 15.029 -3.055 2.788 1.00 0.00 C ATOM 373 C LYS A 27 13.941 -2.211 3.443 1.00 0.00 C ATOM 374 O LYS A 27 12.816 -2.137 2.949 1.00 0.00 O ATOM 375 CB LYS A 27 15.548 -2.351 1.532 1.00 0.00 C ATOM 376 CG LYS A 27 14.496 -2.179 0.451 1.00 0.00 C ATOM 377 CD LYS A 27 14.985 -1.272 -0.665 1.00 0.00 C ATOM 378 CE LYS A 27 14.185 -1.478 -1.942 1.00 0.00 C ATOM 379 NZ LYS A 27 14.579 -2.728 -2.649 1.00 0.00 N ATOM 0 H LYS A 27 13.606 -4.383 2.009 1.00 0.00 H new ATOM 0 HA LYS A 27 15.849 -3.173 3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.935 -1.371 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.384 -2.921 1.126 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.233 -3.154 0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.589 -1.762 0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.908 -0.231 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.039 -1.469 -0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.122 -1.516 -1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.332 -0.625 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.111 -2.764 -3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.611 -2.742 -2.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.291 -3.552 -2.084 1.00 0.00 H new ATOM 393 N SER A 28 14.284 -1.574 4.559 1.00 0.00 N ATOM 394 CA SER A 28 13.335 -0.737 5.283 1.00 0.00 C ATOM 395 C SER A 28 12.949 0.487 4.457 1.00 0.00 C ATOM 396 O SER A 28 13.723 1.436 4.335 1.00 0.00 O ATOM 397 CB SER A 28 13.931 -0.295 6.622 1.00 0.00 C ATOM 398 OG SER A 28 15.084 0.506 6.427 1.00 0.00 O ATOM 0 H SER A 28 15.212 -1.622 4.981 1.00 0.00 H new ATOM 0 HA SER A 28 12.437 -1.326 5.469 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.187 0.265 7.188 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.189 -1.172 7.216 1.00 0.00 H new ATOM 0 HG SER A 28 14.959 1.072 5.637 1.00 0.00 H new ATOM 404 N ARG A 29 11.746 0.455 3.892 1.00 0.00 N ATOM 405 CA ARG A 29 11.257 1.560 3.076 1.00 0.00 C ATOM 406 C ARG A 29 9.997 2.169 3.685 1.00 0.00 C ATOM 407 O ARG A 29 9.183 1.466 4.285 1.00 0.00 O ATOM 408 CB ARG A 29 10.968 1.081 1.652 1.00 0.00 C ATOM 409 CG ARG A 29 12.211 0.965 0.785 1.00 0.00 C ATOM 410 CD ARG A 29 12.729 2.332 0.368 1.00 0.00 C ATOM 411 NE ARG A 29 14.093 2.265 -0.150 1.00 0.00 N ATOM 412 CZ ARG A 29 15.171 2.203 0.624 1.00 0.00 C ATOM 413 NH1 ARG A 29 15.044 2.198 1.944 1.00 0.00 N ATOM 414 NH2 ARG A 29 16.379 2.144 0.078 1.00 0.00 N ATOM 0 H ARG A 29 11.093 -0.323 3.984 1.00 0.00 H new ATOM 0 HA ARG A 29 12.032 2.326 3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.475 0.110 1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.269 1.772 1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.989 0.431 1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.983 0.375 -0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.072 2.752 -0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.698 3.008 1.223 1.00 0.00 H new ATOM 0 HE ARG A 29 14.225 2.266 -1.161 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.117 2.242 2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.873 2.150 2.536 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.481 2.146 -0.937 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.206 2.096 0.673 1.00 0.00 H new ATOM 428 N TRP A 30 9.844 3.478 3.527 1.00 0.00 N ATOM 429 CA TRP A 30 8.683 4.182 4.062 1.00 0.00 C ATOM 430 C TRP A 30 7.546 4.206 3.047 1.00 0.00 C ATOM 431 O TRP A 30 7.705 4.707 1.934 1.00 0.00 O ATOM 432 CB TRP A 30 9.063 5.610 4.455 1.00 0.00 C ATOM 433 CG TRP A 30 7.879 6.479 4.756 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.480 7.588 4.068 1.00 0.00 C ATOM 435 CD2 TRP A 30 6.942 6.309 5.826 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.352 8.119 4.644 1.00 0.00 N ATOM 437 CE2 TRP A 30 6.001 7.353 5.724 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.806 5.377 6.858 1.00 0.00 C ATOM 439 CZ2 TRP A 30 4.941 7.488 6.616 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.753 5.513 7.743 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.832 6.561 7.617 1.00 0.00 C ATOM 0 H TRP A 30 10.508 4.074 3.033 1.00 0.00 H new ATOM 0 HA TRP A 30 8.342 3.648 4.949 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.713 5.578 5.330 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.639 6.060 3.647 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.978 7.989 3.198 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.856 8.949 4.320 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.511 4.565 6.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.230 8.295 6.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.638 4.799 8.545 1.00 0.00 H new ATOM 0 HH2 TRP A 30 4.019 6.639 8.324 1.00 0.00 H new ATOM 452 N PHE A 31 6.398 3.663 3.438 1.00 0.00 N ATOM 453 CA PHE A 31 5.234 3.622 2.560 1.00 0.00 C ATOM 454 C PHE A 31 4.108 4.492 3.110 1.00 0.00 C ATOM 455 O PHE A 31 3.881 4.543 4.319 1.00 0.00 O ATOM 456 CB PHE A 31 4.745 2.181 2.394 1.00 0.00 C ATOM 457 CG PHE A 31 5.633 1.345 1.518 1.00 0.00 C ATOM 458 CD1 PHE A 31 6.812 0.811 2.012 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.288 1.091 0.200 1.00 0.00 C ATOM 460 CE1 PHE A 31 7.631 0.042 1.208 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.103 0.322 -0.609 1.00 0.00 C ATOM 462 CZ PHE A 31 7.276 -0.204 -0.104 1.00 0.00 C ATOM 0 H PHE A 31 6.249 3.245 4.357 1.00 0.00 H new ATOM 0 HA PHE A 31 5.530 4.013 1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.674 1.714 3.376 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.740 2.193 1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.094 0.998 3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.371 1.499 -0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.548 -0.367 1.605 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.823 0.133 -1.635 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.914 -0.806 -0.734 1.00 0.00 H new ATOM 472 N PHE A 32 3.405 5.177 2.213 1.00 0.00 N ATOM 473 CA PHE A 32 2.304 6.047 2.607 1.00 0.00 C ATOM 474 C PHE A 32 1.295 6.196 1.472 1.00 0.00 C ATOM 475 O PHE A 32 1.670 6.379 0.314 1.00 0.00 O ATOM 476 CB PHE A 32 2.834 7.423 3.017 1.00 0.00 C ATOM 477 CG PHE A 32 3.234 8.282 1.852 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.274 8.843 1.025 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.571 8.530 1.583 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.638 9.634 -0.048 1.00 0.00 C ATOM 481 CE2 PHE A 32 4.941 9.321 0.512 1.00 0.00 C ATOM 482 CZ PHE A 32 3.974 9.873 -0.305 1.00 0.00 C ATOM 0 H PHE A 32 3.579 5.146 1.208 1.00 0.00 H new ATOM 0 HA PHE A 32 1.801 5.590 3.459 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.068 7.941 3.594 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.694 7.291 3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.228 8.660 1.222 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.332 8.100 2.218 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.879 10.065 -0.685 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.986 9.507 0.314 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.262 10.490 -1.143 1.00 0.00 H new ATOM 492 N TYR A 33 0.014 6.115 1.813 1.00 0.00 N ATOM 493 CA TYR A 33 -1.050 6.237 0.823 1.00 0.00 C ATOM 494 C TYR A 33 -1.353 7.702 0.527 1.00 0.00 C ATOM 495 O TYR A 33 -1.129 8.576 1.366 1.00 0.00 O ATOM 496 CB TYR A 33 -2.315 5.531 1.313 1.00 0.00 C ATOM 497 CG TYR A 33 -3.530 5.802 0.455 1.00 0.00 C ATOM 498 CD1 TYR A 33 -4.241 6.989 0.579 1.00 0.00 C ATOM 499 CD2 TYR A 33 -3.968 4.870 -0.478 1.00 0.00 C ATOM 500 CE1 TYR A 33 -5.353 7.241 -0.202 1.00 0.00 C ATOM 501 CE2 TYR A 33 -5.078 5.114 -1.264 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.767 6.301 -1.122 1.00 0.00 C ATOM 503 OH TYR A 33 -6.873 6.547 -1.902 1.00 0.00 O ATOM 0 H TYR A 33 -0.313 5.965 2.767 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.711 5.762 -0.098 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.133 4.457 1.342 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.525 5.847 2.335 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.919 7.728 1.298 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.432 3.939 -0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.895 8.169 -0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.404 4.380 -1.985 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.029 5.785 -2.498 1.00 0.00 H new ATOM 513 N ASP A 34 -1.866 7.964 -0.670 1.00 0.00 N ATOM 514 CA ASP A 34 -2.203 9.323 -1.077 1.00 0.00 C ATOM 515 C ASP A 34 -3.694 9.446 -1.377 1.00 0.00 C ATOM 516 O ASP A 34 -4.268 8.606 -2.068 1.00 0.00 O ATOM 517 CB ASP A 34 -1.387 9.727 -2.306 1.00 0.00 C ATOM 518 CG ASP A 34 -1.376 11.227 -2.526 1.00 0.00 C ATOM 519 OD1 ASP A 34 -1.538 11.972 -1.538 1.00 0.00 O ATOM 520 OD2 ASP A 34 -1.205 11.655 -3.687 1.00 0.00 O ATOM 0 H ASP A 34 -2.058 7.253 -1.376 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.960 9.994 -0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.363 9.372 -2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.797 9.236 -3.188 1.00 0.00 H new ATOM 525 N GLU A 35 -4.313 10.499 -0.852 1.00 0.00 N ATOM 526 CA GLU A 35 -5.737 10.730 -1.063 1.00 0.00 C ATOM 527 C GLU A 35 -5.963 11.776 -2.151 1.00 0.00 C ATOM 528 O GLU A 35 -6.987 12.460 -2.166 1.00 0.00 O ATOM 529 CB GLU A 35 -6.401 11.181 0.240 1.00 0.00 C ATOM 530 CG GLU A 35 -5.670 12.317 0.934 1.00 0.00 C ATOM 531 CD GLU A 35 -6.571 13.111 1.861 1.00 0.00 C ATOM 532 OE1 GLU A 35 -7.681 13.486 1.429 1.00 0.00 O ATOM 533 OE2 GLU A 35 -6.166 13.358 3.016 1.00 0.00 O ATOM 0 H GLU A 35 -3.851 11.205 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.188 9.792 -1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.423 11.494 0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.463 10.331 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.835 11.911 1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.248 12.985 0.183 1.00 0.00 H new ATOM 540 N ARG A 36 -5.000 11.895 -3.058 1.00 0.00 N ATOM 541 CA ARG A 36 -5.092 12.858 -4.149 1.00 0.00 C ATOM 542 C ARG A 36 -5.298 12.150 -5.484 1.00 0.00 C ATOM 543 O ARG A 36 -6.163 12.529 -6.274 1.00 0.00 O ATOM 544 CB ARG A 36 -3.829 13.719 -4.205 1.00 0.00 C ATOM 545 CG ARG A 36 -3.537 14.457 -2.909 1.00 0.00 C ATOM 546 CD ARG A 36 -2.801 15.763 -3.166 1.00 0.00 C ATOM 547 NE ARG A 36 -3.002 16.726 -2.086 1.00 0.00 N ATOM 548 CZ ARG A 36 -2.656 18.006 -2.168 1.00 0.00 C ATOM 549 NH1 ARG A 36 -2.094 18.474 -3.274 1.00 0.00 N ATOM 550 NH2 ARG A 36 -2.871 18.820 -1.143 1.00 0.00 N ATOM 0 H ARG A 36 -4.146 11.337 -3.059 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.953 13.500 -3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.978 13.085 -4.452 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.930 14.445 -5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.472 14.661 -2.387 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.938 13.823 -2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.736 15.563 -3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.146 16.195 -4.106 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.432 16.397 -1.221 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.927 17.851 -4.064 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.829 19.457 -3.335 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.303 18.463 -0.290 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.605 19.803 -1.207 1.00 0.00 H new ATOM 564 N LYS A 37 -4.497 11.119 -5.731 1.00 0.00 N ATOM 565 CA LYS A 37 -4.590 10.355 -6.969 1.00 0.00 C ATOM 566 C LYS A 37 -5.025 8.920 -6.693 1.00 0.00 C ATOM 567 O LYS A 37 -5.053 8.084 -7.597 1.00 0.00 O ATOM 568 CB LYS A 37 -3.244 10.360 -7.698 1.00 0.00 C ATOM 569 CG LYS A 37 -2.684 11.752 -7.932 1.00 0.00 C ATOM 570 CD LYS A 37 -1.539 11.732 -8.931 1.00 0.00 C ATOM 571 CE LYS A 37 -0.708 13.004 -8.852 1.00 0.00 C ATOM 572 NZ LYS A 37 -1.404 14.161 -9.480 1.00 0.00 N ATOM 0 H LYS A 37 -3.775 10.793 -5.089 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.341 10.828 -7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.525 9.781 -7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.359 9.857 -8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.475 12.407 -8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.336 12.169 -6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.903 10.868 -8.740 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.937 11.618 -9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.492 13.233 -7.808 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.250 12.844 -9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.805 15.008 -9.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.587 13.953 -10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.306 14.331 -8.991 1.00 0.00 H new ATOM 586 N CYS A 38 -5.365 8.641 -5.439 1.00 0.00 N ATOM 587 CA CYS A 38 -5.800 7.306 -5.044 1.00 0.00 C ATOM 588 C CYS A 38 -4.725 6.269 -5.356 1.00 0.00 C ATOM 589 O CYS A 38 -5.018 5.200 -5.890 1.00 0.00 O ATOM 590 CB CYS A 38 -7.102 6.939 -5.758 1.00 0.00 C ATOM 591 SG CYS A 38 -8.508 7.984 -5.312 1.00 0.00 S ATOM 0 H CYS A 38 -5.348 9.321 -4.679 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.973 7.311 -3.968 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.944 7.002 -6.835 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.348 5.901 -5.532 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.561 7.597 -5.968 1.00 0.00 H new ATOM 597 N GLN A 39 -3.481 6.595 -5.020 1.00 0.00 N ATOM 598 CA GLN A 39 -2.363 5.693 -5.266 1.00 0.00 C ATOM 599 C GLN A 39 -1.491 5.554 -4.022 1.00 0.00 C ATOM 600 O GLN A 39 -1.523 6.403 -3.131 1.00 0.00 O ATOM 601 CB GLN A 39 -1.521 6.199 -6.439 1.00 0.00 C ATOM 602 CG GLN A 39 -2.305 6.339 -7.734 1.00 0.00 C ATOM 603 CD GLN A 39 -1.431 6.750 -8.903 1.00 0.00 C ATOM 604 OE1 GLN A 39 -1.183 7.937 -9.120 1.00 0.00 O ATOM 605 NE2 GLN A 39 -0.960 5.770 -9.664 1.00 0.00 N ATOM 0 H GLN A 39 -3.222 7.477 -4.577 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.768 4.712 -5.515 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.092 7.166 -6.177 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.688 5.514 -6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.791 5.391 -7.964 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.095 7.078 -7.598 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.191 4.800 -9.448 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.367 5.987 -10.465 1.00 0.00 H new ATOM 614 N LEU A 40 -0.714 4.478 -3.968 1.00 0.00 N ATOM 615 CA LEU A 40 0.167 4.227 -2.833 1.00 0.00 C ATOM 616 C LEU A 40 1.592 4.677 -3.139 1.00 0.00 C ATOM 617 O LEU A 40 2.288 4.062 -3.947 1.00 0.00 O ATOM 618 CB LEU A 40 0.156 2.740 -2.473 1.00 0.00 C ATOM 619 CG LEU A 40 1.034 2.330 -1.290 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.500 2.925 0.003 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.116 0.814 -1.187 1.00 0.00 C ATOM 0 H LEU A 40 -0.676 3.765 -4.697 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.202 4.803 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.871 2.447 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.472 2.172 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 40 2.039 2.718 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.138 2.622 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.494 4.012 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.515 2.568 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.745 0.540 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.116 0.404 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.546 0.410 -2.103 1.00 0.00 H new ATOM 633 N TYR A 41 2.020 5.753 -2.487 1.00 0.00 N ATOM 634 CA TYR A 41 3.362 6.286 -2.690 1.00 0.00 C ATOM 635 C TYR A 41 4.291 5.867 -1.555 1.00 0.00 C ATOM 636 O TYR A 41 3.866 5.727 -0.408 1.00 0.00 O ATOM 637 CB TYR A 41 3.317 7.812 -2.790 1.00 0.00 C ATOM 638 CG TYR A 41 2.548 8.317 -3.990 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.159 8.314 -4.002 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.212 8.799 -5.112 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.453 8.774 -5.097 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.514 9.263 -6.210 1.00 0.00 C ATOM 643 CZ TYR A 41 1.135 9.248 -6.198 1.00 0.00 C ATOM 644 OH TYR A 41 0.435 9.708 -7.290 1.00 0.00 O ATOM 0 H TYR A 41 1.457 6.273 -1.814 1.00 0.00 H new ATOM 0 HA TYR A 41 3.751 5.878 -3.623 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.865 8.214 -1.883 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.336 8.195 -2.835 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.622 7.946 -3.141 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.292 8.811 -5.126 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.627 8.762 -5.091 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.045 9.636 -7.073 1.00 0.00 H new ATOM 0 HH TYR A 41 0.001 8.954 -7.742 1.00 0.00 H new ATOM 654 N TYR A 42 5.563 5.668 -1.884 1.00 0.00 N ATOM 655 CA TYR A 42 6.554 5.264 -0.894 1.00 0.00 C ATOM 656 C TYR A 42 7.917 5.873 -1.208 1.00 0.00 C ATOM 657 O TYR A 42 8.285 6.033 -2.371 1.00 0.00 O ATOM 658 CB TYR A 42 6.663 3.739 -0.845 1.00 0.00 C ATOM 659 CG TYR A 42 7.347 3.142 -2.055 1.00 0.00 C ATOM 660 CD1 TYR A 42 6.620 2.792 -3.186 1.00 0.00 C ATOM 661 CD2 TYR A 42 8.720 2.928 -2.066 1.00 0.00 C ATOM 662 CE1 TYR A 42 7.241 2.245 -4.292 1.00 0.00 C ATOM 663 CE2 TYR A 42 9.349 2.384 -3.169 1.00 0.00 C ATOM 664 CZ TYR A 42 8.605 2.043 -4.279 1.00 0.00 C ATOM 665 OH TYR A 42 9.227 1.501 -5.380 1.00 0.00 O ATOM 0 H TYR A 42 5.932 5.780 -2.828 1.00 0.00 H new ATOM 0 HA TYR A 42 6.229 5.630 0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.212 3.451 0.051 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.663 3.314 -0.757 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.552 2.950 -3.201 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.305 3.191 -1.197 1.00 0.00 H new ATOM 0 HE1 TYR A 42 6.661 1.977 -5.163 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.417 2.227 -3.162 1.00 0.00 H new ATOM 0 HH TYR A 42 10.189 1.426 -5.208 1.00 0.00 H new ATOM 675 N SER A 43 8.662 6.210 -0.160 1.00 0.00 N ATOM 676 CA SER A 43 9.984 6.805 -0.322 1.00 0.00 C ATOM 677 C SER A 43 10.991 6.154 0.622 1.00 0.00 C ATOM 678 O SER A 43 10.672 5.193 1.321 1.00 0.00 O ATOM 679 CB SER A 43 9.924 8.311 -0.062 1.00 0.00 C ATOM 680 OG SER A 43 9.186 8.597 1.114 1.00 0.00 O ATOM 0 H SER A 43 8.373 6.081 0.810 1.00 0.00 H new ATOM 0 HA SER A 43 10.310 6.634 -1.348 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.935 8.707 0.034 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.465 8.812 -0.914 1.00 0.00 H new ATOM 0 HG SER A 43 9.803 8.820 1.842 1.00 0.00 H new ATOM 686 N ARG A 44 12.209 6.686 0.635 1.00 0.00 N ATOM 687 CA ARG A 44 13.265 6.157 1.491 1.00 0.00 C ATOM 688 C ARG A 44 12.926 6.367 2.964 1.00 0.00 C ATOM 689 O ARG A 44 13.083 5.461 3.783 1.00 0.00 O ATOM 690 CB ARG A 44 14.600 6.828 1.163 1.00 0.00 C ATOM 691 CG ARG A 44 15.263 6.283 -0.092 1.00 0.00 C ATOM 692 CD ARG A 44 16.742 6.637 -0.139 1.00 0.00 C ATOM 693 NE ARG A 44 17.468 5.828 -1.114 1.00 0.00 N ATOM 694 CZ ARG A 44 18.782 5.640 -1.080 1.00 0.00 C ATOM 695 NH1 ARG A 44 19.511 6.201 -0.124 1.00 0.00 N ATOM 696 NH2 ARG A 44 19.370 4.890 -2.003 1.00 0.00 N ATOM 0 H ARG A 44 12.489 7.483 0.063 1.00 0.00 H new ATOM 0 HA ARG A 44 13.349 5.086 1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.439 7.899 1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.278 6.701 2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.146 5.200 -0.126 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.763 6.685 -0.973 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.854 7.692 -0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 44 17.180 6.494 0.849 1.00 0.00 H new ATOM 0 HE ARG A 44 16.937 5.383 -1.862 1.00 0.00 H new ATOM 0 HH11 ARG A 44 19.062 6.778 0.587 1.00 0.00 H new ATOM 0 HH12 ARG A 44 20.520 6.055 -0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.813 4.457 -2.740 1.00 0.00 H new ATOM 0 HH22 ARG A 44 20.379 4.746 -1.976 1.00 0.00 H new ATOM 710 N THR A 45 12.461 7.568 3.294 1.00 0.00 N ATOM 711 CA THR A 45 12.102 7.897 4.667 1.00 0.00 C ATOM 712 C THR A 45 10.888 8.818 4.713 1.00 0.00 C ATOM 713 O THR A 45 10.464 9.352 3.688 1.00 0.00 O ATOM 714 CB THR A 45 13.272 8.573 5.407 1.00 0.00 C ATOM 715 OG1 THR A 45 13.560 9.843 4.812 1.00 0.00 O ATOM 716 CG2 THR A 45 14.515 7.696 5.369 1.00 0.00 C ATOM 0 H THR A 45 12.324 8.329 2.628 1.00 0.00 H new ATOM 0 HA THR A 45 11.861 6.957 5.164 1.00 0.00 H new ATOM 0 HB THR A 45 12.980 8.718 6.447 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.304 10.267 5.289 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.328 8.194 5.898 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.301 6.741 5.849 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.807 7.524 4.333 1.00 0.00 H new ATOM 724 N ALA A 46 10.333 8.999 5.907 1.00 0.00 N ATOM 725 CA ALA A 46 9.169 9.858 6.085 1.00 0.00 C ATOM 726 C ALA A 46 9.522 11.320 5.835 1.00 0.00 C ATOM 727 O ALA A 46 8.654 12.130 5.509 1.00 0.00 O ATOM 728 CB ALA A 46 8.594 9.684 7.483 1.00 0.00 C ATOM 0 H ALA A 46 10.671 8.562 6.765 1.00 0.00 H new ATOM 0 HA ALA A 46 8.416 9.563 5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.725 10.331 7.602 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.295 8.646 7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.349 9.950 8.223 1.00 0.00 H new ATOM 734 N GLN A 47 10.800 11.651 5.989 1.00 0.00 N ATOM 735 CA GLN A 47 11.265 13.016 5.781 1.00 0.00 C ATOM 736 C GLN A 47 11.390 13.328 4.293 1.00 0.00 C ATOM 737 O GLN A 47 11.384 14.491 3.890 1.00 0.00 O ATOM 738 CB GLN A 47 12.613 13.229 6.473 1.00 0.00 C ATOM 739 CG GLN A 47 12.813 12.351 7.698 1.00 0.00 C ATOM 740 CD GLN A 47 13.683 13.008 8.751 1.00 0.00 C ATOM 741 OE1 GLN A 47 14.688 13.645 8.434 1.00 0.00 O ATOM 742 NE2 GLN A 47 13.301 12.857 10.014 1.00 0.00 N ATOM 0 H GLN A 47 11.531 10.992 6.257 1.00 0.00 H new ATOM 0 HA GLN A 47 10.530 13.693 6.215 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.413 13.031 5.760 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.700 14.275 6.768 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.842 12.112 8.132 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.267 11.408 7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.461 12.321 10.232 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.848 13.277 10.766 1.00 0.00 H new ATOM 751 N ASP A 48 11.503 12.282 3.482 1.00 0.00 N ATOM 752 CA ASP A 48 11.629 12.444 2.038 1.00 0.00 C ATOM 753 C ASP A 48 10.268 12.708 1.401 1.00 0.00 C ATOM 754 O ASP A 48 9.754 11.882 0.648 1.00 0.00 O ATOM 755 CB ASP A 48 12.264 11.199 1.417 1.00 0.00 C ATOM 756 CG ASP A 48 13.762 11.140 1.642 1.00 0.00 C ATOM 757 OD1 ASP A 48 14.255 11.847 2.546 1.00 0.00 O ATOM 758 OD2 ASP A 48 14.441 10.386 0.914 1.00 0.00 O ATOM 0 H ASP A 48 11.510 11.313 3.800 1.00 0.00 H new ATOM 0 HA ASP A 48 12.272 13.303 1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.800 10.308 1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 48 12.059 11.186 0.346 1.00 0.00 H new ATOM 763 N ALA A 49 9.690 13.864 1.710 1.00 0.00 N ATOM 764 CA ALA A 49 8.390 14.237 1.167 1.00 0.00 C ATOM 765 C ALA A 49 8.214 13.706 -0.252 1.00 0.00 C ATOM 766 O ALA A 49 7.135 13.248 -0.624 1.00 0.00 O ATOM 767 CB ALA A 49 8.222 15.749 1.191 1.00 0.00 C ATOM 0 H ALA A 49 10.102 14.558 2.334 1.00 0.00 H new ATOM 0 HA ALA A 49 7.620 13.787 1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.247 16.013 0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.294 16.107 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.005 16.212 0.590 1.00 0.00 H new ATOM 773 N ASN A 50 9.283 13.772 -1.040 1.00 0.00 N ATOM 774 CA ASN A 50 9.246 13.298 -2.418 1.00 0.00 C ATOM 775 C ASN A 50 9.150 11.776 -2.468 1.00 0.00 C ATOM 776 O ASN A 50 10.082 11.058 -2.104 1.00 0.00 O ATOM 777 CB ASN A 50 10.491 13.767 -3.174 1.00 0.00 C ATOM 778 CG ASN A 50 10.863 15.199 -2.842 1.00 0.00 C ATOM 779 OD1 ASN A 50 10.415 16.137 -3.500 1.00 0.00 O ATOM 780 ND2 ASN A 50 11.689 15.372 -1.816 1.00 0.00 N ATOM 0 H ASN A 50 10.185 14.149 -0.747 1.00 0.00 H new ATOM 0 HA ASN A 50 8.360 13.716 -2.896 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.328 13.112 -2.932 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.316 13.679 -4.246 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.976 16.313 -1.546 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.036 14.564 -1.299 1.00 0.00 H new ATOM 787 N PRO A 51 7.997 11.270 -2.931 1.00 0.00 N ATOM 788 CA PRO A 51 7.753 9.829 -3.041 1.00 0.00 C ATOM 789 C PRO A 51 8.591 9.181 -4.138 1.00 0.00 C ATOM 790 O PRO A 51 8.548 9.599 -5.295 1.00 0.00 O ATOM 791 CB PRO A 51 6.264 9.748 -3.387 1.00 0.00 C ATOM 792 CG PRO A 51 5.956 11.049 -4.044 1.00 0.00 C ATOM 793 CD PRO A 51 6.844 12.067 -3.383 1.00 0.00 C ATOM 0 HA PRO A 51 8.022 9.299 -2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.057 8.910 -4.052 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.657 9.603 -2.493 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.149 11.000 -5.116 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.905 11.309 -3.921 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.145 12.850 -4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.342 12.557 -2.549 1.00 0.00 H new ATOM 801 N LEU A 52 9.352 8.157 -3.767 1.00 0.00 N ATOM 802 CA LEU A 52 10.201 7.450 -4.720 1.00 0.00 C ATOM 803 C LEU A 52 9.376 6.899 -5.878 1.00 0.00 C ATOM 804 O LEU A 52 9.698 7.125 -7.045 1.00 0.00 O ATOM 805 CB LEU A 52 10.946 6.311 -4.022 1.00 0.00 C ATOM 806 CG LEU A 52 12.208 6.706 -3.254 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.696 5.547 -2.398 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.298 7.158 -4.215 1.00 0.00 C ATOM 0 H LEU A 52 9.399 7.798 -2.813 1.00 0.00 H new ATOM 0 HA LEU A 52 10.926 8.159 -5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.259 5.826 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.219 5.569 -4.772 1.00 0.00 H new ATOM 0 HG LEU A 52 11.964 7.540 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.595 5.846 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.920 5.270 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.923 4.693 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.188 7.435 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.540 6.345 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.947 8.018 -4.785 1.00 0.00 H new ATOM 820 N ASP A 53 8.311 6.177 -5.549 1.00 0.00 N ATOM 821 CA ASP A 53 7.438 5.596 -6.562 1.00 0.00 C ATOM 822 C ASP A 53 6.007 5.480 -6.044 1.00 0.00 C ATOM 823 O ASP A 53 5.745 5.697 -4.861 1.00 0.00 O ATOM 824 CB ASP A 53 7.954 4.219 -6.982 1.00 0.00 C ATOM 825 CG ASP A 53 9.235 4.303 -7.788 1.00 0.00 C ATOM 826 OD1 ASP A 53 9.162 4.655 -8.984 1.00 0.00 O ATOM 827 OD2 ASP A 53 10.312 4.015 -7.223 1.00 0.00 O ATOM 0 H ASP A 53 8.031 5.980 -4.588 1.00 0.00 H new ATOM 0 HA ASP A 53 7.440 6.256 -7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.126 3.612 -6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.190 3.712 -7.571 1.00 0.00 H new ATOM 832 N SER A 54 5.085 5.138 -6.939 1.00 0.00 N ATOM 833 CA SER A 54 3.681 4.999 -6.574 1.00 0.00 C ATOM 834 C SER A 54 3.066 3.771 -7.238 1.00 0.00 C ATOM 835 O SER A 54 3.496 3.353 -8.314 1.00 0.00 O ATOM 836 CB SER A 54 2.901 6.253 -6.974 1.00 0.00 C ATOM 837 OG SER A 54 2.599 6.245 -8.359 1.00 0.00 O ATOM 0 H SER A 54 5.286 4.952 -7.922 1.00 0.00 H new ATOM 0 HA SER A 54 3.623 4.873 -5.493 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.978 6.310 -6.397 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.484 7.141 -6.731 1.00 0.00 H new ATOM 0 HG SER A 54 2.099 7.056 -8.589 1.00 0.00 H new ATOM 843 N ILE A 55 2.058 3.197 -6.590 1.00 0.00 N ATOM 844 CA ILE A 55 1.384 2.017 -7.117 1.00 0.00 C ATOM 845 C ILE A 55 -0.131 2.177 -7.055 1.00 0.00 C ATOM 846 O ILE A 55 -0.716 2.230 -5.973 1.00 0.00 O ATOM 847 CB ILE A 55 1.787 0.746 -6.347 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.304 0.550 -6.402 1.00 0.00 C ATOM 849 CG2 ILE A 55 1.069 -0.468 -6.916 1.00 0.00 C ATOM 850 CD1 ILE A 55 4.041 1.219 -5.263 1.00 0.00 C ATOM 0 H ILE A 55 1.690 3.530 -5.699 1.00 0.00 H new ATOM 0 HA ILE A 55 1.695 1.914 -8.157 1.00 0.00 H new ATOM 0 HB ILE A 55 1.492 0.862 -5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.525 -0.517 -6.390 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.679 0.943 -7.347 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.364 -1.359 -6.361 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.008 -0.327 -6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.336 -0.590 -7.966 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.111 1.039 -5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.850 2.292 -5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.694 0.809 -4.314 1.00 0.00 H new ATOM 862 N ASP A 56 -0.761 2.250 -8.222 1.00 0.00 N ATOM 863 CA ASP A 56 -2.210 2.401 -8.301 1.00 0.00 C ATOM 864 C ASP A 56 -2.915 1.210 -7.658 1.00 0.00 C ATOM 865 O ASP A 56 -2.914 0.106 -8.203 1.00 0.00 O ATOM 866 CB ASP A 56 -2.650 2.544 -9.758 1.00 0.00 C ATOM 867 CG ASP A 56 -4.079 3.037 -9.885 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.386 4.114 -9.333 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.889 2.345 -10.537 1.00 0.00 O ATOM 0 H ASP A 56 -0.292 2.207 -9.127 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.488 3.303 -7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.983 3.237 -10.270 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.555 1.581 -10.260 1.00 0.00 H new ATOM 874 N LEU A 57 -3.517 1.442 -6.497 1.00 0.00 N ATOM 875 CA LEU A 57 -4.226 0.389 -5.778 1.00 0.00 C ATOM 876 C LEU A 57 -5.570 0.092 -6.435 1.00 0.00 C ATOM 877 O LEU A 57 -6.097 -1.015 -6.320 1.00 0.00 O ATOM 878 CB LEU A 57 -4.437 0.793 -4.318 1.00 0.00 C ATOM 879 CG LEU A 57 -3.192 1.260 -3.564 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.564 1.759 -2.176 1.00 0.00 C ATOM 881 CD2 LEU A 57 -2.171 0.135 -3.472 1.00 0.00 C ATOM 0 H LEU A 57 -3.528 2.350 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.617 -0.514 -5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.177 1.592 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.863 -0.057 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.745 2.086 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.665 2.087 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.258 2.595 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.036 0.953 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.291 0.485 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.609 -0.711 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.881 -0.176 -4.476 1.00 0.00 H new ATOM 893 N SER A 58 -6.118 1.086 -7.126 1.00 0.00 N ATOM 894 CA SER A 58 -7.402 0.932 -7.801 1.00 0.00 C ATOM 895 C SER A 58 -7.463 -0.393 -8.555 1.00 0.00 C ATOM 896 O SER A 58 -8.502 -1.051 -8.591 1.00 0.00 O ATOM 897 CB SER A 58 -7.636 2.094 -8.768 1.00 0.00 C ATOM 898 OG SER A 58 -7.888 3.299 -8.066 1.00 0.00 O ATOM 0 H SER A 58 -5.693 2.007 -7.233 1.00 0.00 H new ATOM 0 HA SER A 58 -8.186 0.936 -7.044 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.764 2.219 -9.409 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.480 1.865 -9.419 1.00 0.00 H new ATOM 0 HG SER A 58 -8.033 4.027 -8.706 1.00 0.00 H new ATOM 904 N SER A 59 -6.342 -0.777 -9.156 1.00 0.00 N ATOM 905 CA SER A 59 -6.268 -2.021 -9.913 1.00 0.00 C ATOM 906 C SER A 59 -5.169 -2.926 -9.365 1.00 0.00 C ATOM 907 O SER A 59 -4.487 -3.619 -10.119 1.00 0.00 O ATOM 908 CB SER A 59 -6.011 -1.727 -11.393 1.00 0.00 C ATOM 909 OG SER A 59 -7.227 -1.517 -12.089 1.00 0.00 O ATOM 0 H SER A 59 -5.472 -0.245 -9.134 1.00 0.00 H new ATOM 0 HA SER A 59 -7.223 -2.536 -9.812 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.377 -0.845 -11.487 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.469 -2.559 -11.844 1.00 0.00 H new ATOM 0 HG SER A 59 -7.036 -1.329 -13.032 1.00 0.00 H new ATOM 915 N ALA A 60 -5.005 -2.914 -8.046 1.00 0.00 N ATOM 916 CA ALA A 60 -3.991 -3.735 -7.395 1.00 0.00 C ATOM 917 C ALA A 60 -4.631 -4.776 -6.483 1.00 0.00 C ATOM 918 O ALA A 60 -5.641 -4.510 -5.832 1.00 0.00 O ATOM 919 CB ALA A 60 -3.030 -2.859 -6.605 1.00 0.00 C ATOM 0 H ALA A 60 -5.561 -2.345 -7.408 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.433 -4.261 -8.169 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.278 -3.485 -6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.540 -2.157 -7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.582 -2.307 -5.845 1.00 0.00 H new ATOM 925 N VAL A 61 -4.036 -5.965 -6.442 1.00 0.00 N ATOM 926 CA VAL A 61 -4.548 -7.047 -5.609 1.00 0.00 C ATOM 927 C VAL A 61 -3.510 -7.489 -4.584 1.00 0.00 C ATOM 928 O VAL A 61 -2.436 -7.974 -4.941 1.00 0.00 O ATOM 929 CB VAL A 61 -4.963 -8.262 -6.461 1.00 0.00 C ATOM 930 CG1 VAL A 61 -4.023 -8.430 -7.645 1.00 0.00 C ATOM 931 CG2 VAL A 61 -4.993 -9.522 -5.610 1.00 0.00 C ATOM 0 H VAL A 61 -3.200 -6.203 -6.976 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.425 -6.660 -5.090 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.967 -8.088 -6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.332 -9.293 -8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.057 -7.535 -8.266 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.006 -8.583 -7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.288 -10.371 -6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.002 -9.703 -5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.710 -9.396 -4.799 1.00 0.00 H new ATOM 941 N PHE A 62 -3.838 -7.319 -3.307 1.00 0.00 N ATOM 942 CA PHE A 62 -2.934 -7.701 -2.228 1.00 0.00 C ATOM 943 C PHE A 62 -3.102 -9.176 -1.875 1.00 0.00 C ATOM 944 O PHE A 62 -4.221 -9.673 -1.752 1.00 0.00 O ATOM 945 CB PHE A 62 -3.188 -6.836 -0.992 1.00 0.00 C ATOM 946 CG PHE A 62 -3.713 -5.467 -1.316 1.00 0.00 C ATOM 947 CD1 PHE A 62 -2.955 -4.578 -2.060 1.00 0.00 C ATOM 948 CD2 PHE A 62 -4.965 -5.068 -0.875 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.435 -3.317 -2.360 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.451 -3.809 -1.172 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.684 -2.932 -1.915 1.00 0.00 C ATOM 0 H PHE A 62 -4.723 -6.919 -2.994 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.911 -7.542 -2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.900 -7.345 -0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.259 -6.737 -0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.977 -4.874 -2.410 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.568 -5.749 -0.292 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.834 -2.634 -2.942 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.429 -3.511 -0.824 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.061 -1.947 -2.147 1.00 0.00 H new ATOM 961 N ASP A 63 -1.981 -9.870 -1.712 1.00 0.00 N ATOM 962 CA ASP A 63 -2.001 -11.288 -1.372 1.00 0.00 C ATOM 963 C ASP A 63 -1.001 -11.595 -0.262 1.00 0.00 C ATOM 964 O ASP A 63 -0.126 -10.783 0.041 1.00 0.00 O ATOM 965 CB ASP A 63 -1.689 -12.135 -2.607 1.00 0.00 C ATOM 966 CG ASP A 63 -1.900 -13.616 -2.361 1.00 0.00 C ATOM 967 OD1 ASP A 63 -2.984 -13.986 -1.864 1.00 0.00 O ATOM 968 OD2 ASP A 63 -0.980 -14.405 -2.664 1.00 0.00 O ATOM 0 H ASP A 63 -1.046 -9.473 -1.810 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.000 -11.537 -1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.322 -11.813 -3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.656 -11.963 -2.910 1.00 0.00 H new ATOM 973 N CYS A 64 -1.136 -12.771 0.340 1.00 0.00 N ATOM 974 CA CYS A 64 -0.245 -13.185 1.418 1.00 0.00 C ATOM 975 C CYS A 64 0.684 -14.304 0.956 1.00 0.00 C ATOM 976 O CYS A 64 0.261 -15.232 0.267 1.00 0.00 O ATOM 977 CB CYS A 64 -1.056 -13.647 2.629 1.00 0.00 C ATOM 978 SG CYS A 64 -2.033 -15.140 2.338 1.00 0.00 S ATOM 0 H CYS A 64 -1.854 -13.455 0.100 1.00 0.00 H new ATOM 0 HA CYS A 64 0.363 -12.327 1.703 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.375 -13.828 3.461 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.725 -12.842 2.933 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.497 -15.828 1.374 1.00 0.00 H new ATOM 984 N LYS A 65 1.953 -14.208 1.338 1.00 0.00 N ATOM 985 CA LYS A 65 2.943 -15.210 0.964 1.00 0.00 C ATOM 986 C LYS A 65 2.704 -16.517 1.713 1.00 0.00 C ATOM 987 O LYS A 65 1.849 -16.591 2.595 1.00 0.00 O ATOM 988 CB LYS A 65 4.355 -14.695 1.253 1.00 0.00 C ATOM 989 CG LYS A 65 4.987 -13.964 0.082 1.00 0.00 C ATOM 990 CD LYS A 65 5.629 -14.932 -0.899 1.00 0.00 C ATOM 991 CE LYS A 65 4.593 -15.567 -1.814 1.00 0.00 C ATOM 992 NZ LYS A 65 5.204 -16.080 -3.071 1.00 0.00 N ATOM 0 H LYS A 65 2.320 -13.445 1.907 1.00 0.00 H new ATOM 0 HA LYS A 65 2.844 -15.401 -0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.320 -14.025 2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.990 -15.536 1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.228 -13.374 -0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.739 -13.266 0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.371 -14.405 -1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.157 -15.711 -0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.099 -16.385 -1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.824 -14.833 -2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.466 -16.505 -3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.654 -15.295 -3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.920 -16.799 -2.841 1.00 0.00 H new ATOM 1006 N ALA A 66 3.466 -17.546 1.357 1.00 0.00 N ATOM 1007 CA ALA A 66 3.339 -18.849 1.998 1.00 0.00 C ATOM 1008 C ALA A 66 3.777 -18.788 3.457 1.00 0.00 C ATOM 1009 O ALA A 66 3.188 -19.439 4.320 1.00 0.00 O ATOM 1010 CB ALA A 66 4.153 -19.890 1.244 1.00 0.00 C ATOM 0 H ALA A 66 4.178 -17.502 0.628 1.00 0.00 H new ATOM 0 HA ALA A 66 2.288 -19.137 1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.049 -20.858 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.791 -19.962 0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.203 -19.597 1.239 1.00 0.00 H new ATOM 1016 N ASP A 67 4.814 -18.002 3.726 1.00 0.00 N ATOM 1017 CA ASP A 67 5.331 -17.856 5.082 1.00 0.00 C ATOM 1018 C ASP A 67 4.695 -16.658 5.779 1.00 0.00 C ATOM 1019 O ASP A 67 5.351 -15.953 6.546 1.00 0.00 O ATOM 1020 CB ASP A 67 6.852 -17.699 5.056 1.00 0.00 C ATOM 1021 CG ASP A 67 7.572 -19.033 5.073 1.00 0.00 C ATOM 1022 OD1 ASP A 67 7.808 -19.594 3.983 1.00 0.00 O ATOM 1023 OD2 ASP A 67 7.901 -19.515 6.177 1.00 0.00 O ATOM 0 H ASP A 67 5.313 -17.456 3.023 1.00 0.00 H new ATOM 0 HA ASP A 67 5.076 -18.756 5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.142 -17.144 4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.168 -17.108 5.915 1.00 0.00 H new ATOM 1028 N ALA A 68 3.414 -16.432 5.508 1.00 0.00 N ATOM 1029 CA ALA A 68 2.689 -15.320 6.110 1.00 0.00 C ATOM 1030 C ALA A 68 2.798 -15.353 7.631 1.00 0.00 C ATOM 1031 O ALA A 68 2.596 -14.339 8.298 1.00 0.00 O ATOM 1032 CB ALA A 68 1.229 -15.348 5.682 1.00 0.00 C ATOM 0 H ALA A 68 2.856 -17.005 4.875 1.00 0.00 H new ATOM 0 HA ALA A 68 3.141 -14.392 5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.700 -14.512 6.139 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.166 -15.267 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.774 -16.285 6.003 1.00 0.00 H new ATOM 1038 N GLU A 69 3.117 -16.525 8.171 1.00 0.00 N ATOM 1039 CA GLU A 69 3.251 -16.689 9.614 1.00 0.00 C ATOM 1040 C GLU A 69 4.063 -15.547 10.218 1.00 0.00 C ATOM 1041 O GLU A 69 3.926 -15.232 11.400 1.00 0.00 O ATOM 1042 CB GLU A 69 3.915 -18.028 9.938 1.00 0.00 C ATOM 1043 CG GLU A 69 5.265 -18.217 9.268 1.00 0.00 C ATOM 1044 CD GLU A 69 5.739 -19.657 9.304 1.00 0.00 C ATOM 1045 OE1 GLU A 69 5.005 -20.534 8.802 1.00 0.00 O ATOM 1046 OE2 GLU A 69 6.841 -19.906 9.834 1.00 0.00 O ATOM 0 H GLU A 69 3.287 -17.374 7.632 1.00 0.00 H new ATOM 0 HA GLU A 69 2.252 -16.672 10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.040 -18.110 11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.251 -18.836 9.632 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.201 -17.885 8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.003 -17.583 9.761 1.00 0.00 H new ATOM 1053 N GLU A 70 4.908 -14.931 9.398 1.00 0.00 N ATOM 1054 CA GLU A 70 5.744 -13.825 9.852 1.00 0.00 C ATOM 1055 C GLU A 70 5.092 -12.483 9.529 1.00 0.00 C ATOM 1056 O GLU A 70 5.364 -11.476 10.182 1.00 0.00 O ATOM 1057 CB GLU A 70 7.127 -13.902 9.203 1.00 0.00 C ATOM 1058 CG GLU A 70 7.854 -12.568 9.159 1.00 0.00 C ATOM 1059 CD GLU A 70 9.360 -12.726 9.094 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.988 -12.877 10.162 1.00 0.00 O ATOM 1061 OE2 GLU A 70 9.911 -12.699 7.973 1.00 0.00 O ATOM 0 H GLU A 70 5.032 -15.178 8.416 1.00 0.00 H new ATOM 0 HA GLU A 70 5.854 -13.906 10.933 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.737 -14.621 9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.022 -14.282 8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.514 -12.002 8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.591 -11.986 10.042 1.00 0.00 H new ATOM 1068 N GLY A 71 4.230 -12.479 8.517 1.00 0.00 N ATOM 1069 CA GLY A 71 3.554 -11.256 8.124 1.00 0.00 C ATOM 1070 C GLY A 71 4.051 -10.719 6.797 1.00 0.00 C ATOM 1071 O GLY A 71 4.494 -9.573 6.710 1.00 0.00 O ATOM 0 H GLY A 71 3.988 -13.300 7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.482 -11.442 8.058 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.700 -10.500 8.896 1.00 0.00 H new ATOM 1075 N ILE A 72 3.980 -11.548 5.761 1.00 0.00 N ATOM 1076 CA ILE A 72 4.427 -11.150 4.432 1.00 0.00 C ATOM 1077 C ILE A 72 3.254 -11.053 3.463 1.00 0.00 C ATOM 1078 O ILE A 72 2.303 -11.832 3.542 1.00 0.00 O ATOM 1079 CB ILE A 72 5.464 -12.138 3.867 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.655 -12.263 4.821 1.00 0.00 C ATOM 1081 CG2 ILE A 72 5.927 -11.691 2.489 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.462 -13.311 5.894 1.00 0.00 C ATOM 0 H ILE A 72 3.617 -12.500 5.817 1.00 0.00 H new ATOM 0 HA ILE A 72 4.891 -10.169 4.537 1.00 0.00 H new ATOM 0 HB ILE A 72 4.995 -13.117 3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.548 -12.505 4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.833 -11.298 5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.660 -12.400 2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.072 -11.649 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.381 -10.703 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.345 -13.344 6.533 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.588 -13.060 6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.314 -14.285 5.428 1.00 0.00 H new ATOM 1094 N PHE A 73 3.327 -10.093 2.547 1.00 0.00 N ATOM 1095 CA PHE A 73 2.272 -9.894 1.561 1.00 0.00 C ATOM 1096 C PHE A 73 2.852 -9.432 0.228 1.00 0.00 C ATOM 1097 O PHE A 73 4.042 -9.133 0.128 1.00 0.00 O ATOM 1098 CB PHE A 73 1.256 -8.869 2.070 1.00 0.00 C ATOM 1099 CG PHE A 73 1.867 -7.543 2.421 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.605 -7.390 3.583 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.703 -6.448 1.587 1.00 0.00 C ATOM 1102 CE1 PHE A 73 3.167 -6.170 3.908 1.00 0.00 C ATOM 1103 CE2 PHE A 73 2.264 -5.226 1.907 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.998 -5.087 3.068 1.00 0.00 C ATOM 0 H PHE A 73 4.107 -9.440 2.467 1.00 0.00 H new ATOM 0 HA PHE A 73 1.769 -10.849 1.407 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.492 -8.717 1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.754 -9.273 2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.743 -8.234 4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.130 -6.551 0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.738 -6.064 4.818 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.128 -4.380 1.249 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.439 -4.134 3.319 1.00 0.00 H new ATOM 1114 N GLU A 74 2.003 -9.378 -0.793 1.00 0.00 N ATOM 1115 CA GLU A 74 2.433 -8.954 -2.121 1.00 0.00 C ATOM 1116 C GLU A 74 1.306 -8.230 -2.852 1.00 0.00 C ATOM 1117 O GLU A 74 0.159 -8.678 -2.844 1.00 0.00 O ATOM 1118 CB GLU A 74 2.895 -10.160 -2.941 1.00 0.00 C ATOM 1119 CG GLU A 74 4.356 -10.518 -2.727 1.00 0.00 C ATOM 1120 CD GLU A 74 4.645 -11.981 -3.000 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.907 -12.591 -3.802 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.608 -12.516 -2.412 1.00 0.00 O ATOM 0 H GLU A 74 1.015 -9.622 -0.727 1.00 0.00 H new ATOM 0 HA GLU A 74 3.268 -8.264 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.277 -11.021 -2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.731 -9.954 -3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.976 -9.902 -3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.637 -10.281 -1.701 1.00 0.00 H new ATOM 1129 N ILE A 75 1.641 -7.110 -3.482 1.00 0.00 N ATOM 1130 CA ILE A 75 0.658 -6.324 -4.218 1.00 0.00 C ATOM 1131 C ILE A 75 0.793 -6.544 -5.721 1.00 0.00 C ATOM 1132 O ILE A 75 1.688 -5.993 -6.363 1.00 0.00 O ATOM 1133 CB ILE A 75 0.798 -4.821 -3.916 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.831 -4.583 -2.405 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.342 -4.043 -4.555 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.835 -3.119 -2.023 1.00 0.00 C ATOM 0 H ILE A 75 2.586 -6.726 -3.498 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.325 -6.661 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 75 1.737 -4.466 -4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.034 -5.066 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.718 -5.061 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.228 -2.982 -4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.323 -4.191 -5.635 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.293 -4.398 -4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.859 -3.026 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.714 -2.634 -2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.065 -2.640 -2.408 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.103 -7.352 -6.278 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.087 -7.643 -7.707 1.00 0.00 C ATOM 1150 C LYS A 76 -0.784 -6.538 -8.495 1.00 0.00 C ATOM 1151 O LYS A 76 -1.968 -6.267 -8.290 1.00 0.00 O ATOM 1152 CB LYS A 76 -0.767 -8.986 -7.982 1.00 0.00 C ATOM 1153 CG LYS A 76 0.192 -10.165 -7.978 1.00 0.00 C ATOM 1154 CD LYS A 76 -0.471 -11.421 -7.438 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.263 -11.560 -5.938 1.00 0.00 C ATOM 1156 NZ LYS A 76 0.971 -12.330 -5.618 1.00 0.00 N ATOM 0 H LYS A 76 -0.850 -7.817 -5.761 1.00 0.00 H new ATOM 0 HA LYS A 76 0.953 -7.696 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.539 -9.154 -7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.268 -8.939 -8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.549 -10.348 -8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.065 -9.923 -7.371 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.538 -11.393 -7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.064 -12.296 -7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.200 -10.570 -5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.126 -12.058 -5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.077 -12.403 -4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.901 -13.284 -6.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.798 -11.842 -6.018 1.00 0.00 H new ATOM 1170 N THR A 77 -0.043 -5.904 -9.398 1.00 0.00 N ATOM 1171 CA THR A 77 -0.590 -4.829 -10.217 1.00 0.00 C ATOM 1172 C THR A 77 -0.285 -5.053 -11.693 1.00 0.00 C ATOM 1173 O THR A 77 0.675 -5.733 -12.057 1.00 0.00 O ATOM 1174 CB THR A 77 -0.031 -3.458 -9.791 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.388 -3.541 -9.613 1.00 0.00 O ATOM 1176 CG2 THR A 77 -0.682 -2.986 -8.500 1.00 0.00 C ATOM 0 H THR A 77 0.938 -6.116 -9.581 1.00 0.00 H new ATOM 0 HA THR A 77 -1.670 -4.835 -10.067 1.00 0.00 H new ATOM 0 HB THR A 77 -0.257 -2.738 -10.578 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.715 -4.387 -9.984 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.272 -2.016 -8.219 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.758 -2.896 -8.647 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.483 -3.707 -7.707 1.00 0.00 H new ATOM 1184 N PRO A 78 -1.119 -4.469 -12.566 1.00 0.00 N ATOM 1185 CA PRO A 78 -0.957 -4.590 -14.018 1.00 0.00 C ATOM 1186 C PRO A 78 0.264 -3.835 -14.530 1.00 0.00 C ATOM 1187 O PRO A 78 0.516 -3.786 -15.734 1.00 0.00 O ATOM 1188 CB PRO A 78 -2.242 -3.967 -14.571 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.693 -3.024 -13.510 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.284 -3.645 -12.203 1.00 0.00 C ATOM 0 HA PRO A 78 -0.801 -5.624 -14.326 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.057 -3.446 -15.511 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.996 -4.728 -14.771 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.233 -2.044 -13.637 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.772 -2.877 -13.551 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.026 -2.888 -11.462 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.086 -4.248 -11.777 1.00 0.00 H new ATOM 1198 N SER A 79 1.020 -3.247 -13.609 1.00 0.00 N ATOM 1199 CA SER A 79 2.214 -2.491 -13.968 1.00 0.00 C ATOM 1200 C SER A 79 3.473 -3.196 -13.473 1.00 0.00 C ATOM 1201 O SER A 79 4.429 -3.386 -14.226 1.00 0.00 O ATOM 1202 CB SER A 79 2.144 -1.079 -13.384 1.00 0.00 C ATOM 1203 OG SER A 79 3.073 -0.218 -14.019 1.00 0.00 O ATOM 0 H SER A 79 0.827 -3.280 -12.608 1.00 0.00 H new ATOM 0 HA SER A 79 2.259 -2.425 -15.055 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.136 -0.682 -13.503 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.348 -1.114 -12.314 1.00 0.00 H new ATOM 0 HG SER A 79 3.007 0.679 -13.629 1.00 0.00 H new ATOM 1209 N ARG A 80 3.466 -3.582 -12.201 1.00 0.00 N ATOM 1210 CA ARG A 80 4.607 -4.266 -11.604 1.00 0.00 C ATOM 1211 C ARG A 80 4.226 -4.893 -10.266 1.00 0.00 C ATOM 1212 O ARG A 80 3.726 -4.214 -9.370 1.00 0.00 O ATOM 1213 CB ARG A 80 5.769 -3.289 -11.408 1.00 0.00 C ATOM 1214 CG ARG A 80 5.513 -2.246 -10.332 1.00 0.00 C ATOM 1215 CD ARG A 80 6.681 -1.282 -10.202 1.00 0.00 C ATOM 1216 NE ARG A 80 6.747 -0.348 -11.323 1.00 0.00 N ATOM 1217 CZ ARG A 80 5.920 0.681 -11.473 1.00 0.00 C ATOM 1218 NH1 ARG A 80 4.968 0.906 -10.577 1.00 0.00 N ATOM 1219 NH2 ARG A 80 6.043 1.486 -12.519 1.00 0.00 N ATOM 0 H ARG A 80 2.683 -3.433 -11.564 1.00 0.00 H new ATOM 0 HA ARG A 80 4.918 -5.060 -12.283 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.666 -3.852 -11.150 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.970 -2.783 -12.352 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.606 -1.690 -10.571 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.341 -2.742 -9.377 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.589 -0.724 -9.270 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.612 -1.846 -10.145 1.00 0.00 H new ATOM 0 HE ARG A 80 7.468 -0.494 -12.030 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.870 0.289 -9.771 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.334 1.697 -10.694 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.773 1.316 -13.210 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.407 2.275 -12.633 1.00 0.00 H new ATOM 1233 N VAL A 81 4.465 -6.195 -10.140 1.00 0.00 N ATOM 1234 CA VAL A 81 4.148 -6.915 -8.912 1.00 0.00 C ATOM 1235 C VAL A 81 5.159 -6.603 -7.815 1.00 0.00 C ATOM 1236 O VAL A 81 6.334 -6.957 -7.922 1.00 0.00 O ATOM 1237 CB VAL A 81 4.113 -8.437 -9.147 1.00 0.00 C ATOM 1238 CG1 VAL A 81 3.845 -9.172 -7.843 1.00 0.00 C ATOM 1239 CG2 VAL A 81 3.068 -8.791 -10.194 1.00 0.00 C ATOM 0 H VAL A 81 4.877 -6.772 -10.873 1.00 0.00 H new ATOM 0 HA VAL A 81 3.160 -6.581 -8.595 1.00 0.00 H new ATOM 0 HB VAL A 81 5.087 -8.752 -9.520 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.824 -10.246 -8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.635 -8.943 -7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.884 -8.855 -7.437 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.057 -9.870 -10.347 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.086 -8.463 -9.853 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.311 -8.294 -11.133 1.00 0.00 H new ATOM 1249 N ILE A 82 4.695 -5.940 -6.761 1.00 0.00 N ATOM 1250 CA ILE A 82 5.560 -5.583 -5.643 1.00 0.00 C ATOM 1251 C ILE A 82 5.436 -6.593 -4.508 1.00 0.00 C ATOM 1252 O ILE A 82 4.421 -7.279 -4.379 1.00 0.00 O ATOM 1253 CB ILE A 82 5.231 -4.178 -5.104 1.00 0.00 C ATOM 1254 CG1 ILE A 82 5.261 -3.152 -6.239 1.00 0.00 C ATOM 1255 CG2 ILE A 82 6.209 -3.790 -4.006 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.648 -2.899 -6.788 1.00 0.00 C ATOM 0 H ILE A 82 3.726 -5.639 -6.658 1.00 0.00 H new ATOM 0 HA ILE A 82 6.583 -5.588 -6.020 1.00 0.00 H new ATOM 0 HB ILE A 82 4.227 -4.193 -4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.616 -3.497 -7.047 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.844 -2.211 -5.879 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.964 -2.795 -3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.142 -4.508 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.223 -3.788 -4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.593 -2.162 -7.589 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.291 -2.524 -5.992 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.060 -3.829 -7.179 1.00 0.00 H new ATOM 1268 N THR A 83 6.475 -6.678 -3.683 1.00 0.00 N ATOM 1269 CA THR A 83 6.483 -7.603 -2.557 1.00 0.00 C ATOM 1270 C THR A 83 6.895 -6.899 -1.269 1.00 0.00 C ATOM 1271 O THR A 83 8.074 -6.613 -1.056 1.00 0.00 O ATOM 1272 CB THR A 83 7.436 -8.787 -2.809 1.00 0.00 C ATOM 1273 OG1 THR A 83 7.079 -9.453 -4.025 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.390 -9.774 -1.652 1.00 0.00 C ATOM 0 H THR A 83 7.322 -6.117 -3.774 1.00 0.00 H new ATOM 0 HA THR A 83 5.466 -7.981 -2.452 1.00 0.00 H new ATOM 0 HB THR A 83 8.450 -8.397 -2.893 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.691 -10.203 -4.179 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.071 -10.601 -1.852 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.690 -9.271 -0.733 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.376 -10.157 -1.541 1.00 0.00 H new ATOM 1282 N LEU A 84 5.918 -6.622 -0.413 1.00 0.00 N ATOM 1283 CA LEU A 84 6.179 -5.951 0.856 1.00 0.00 C ATOM 1284 C LEU A 84 5.716 -6.807 2.030 1.00 0.00 C ATOM 1285 O LEU A 84 4.711 -7.513 1.940 1.00 0.00 O ATOM 1286 CB LEU A 84 5.477 -4.593 0.891 1.00 0.00 C ATOM 1287 CG LEU A 84 5.604 -3.738 -0.370 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.788 -2.462 -0.235 1.00 0.00 C ATOM 1289 CD2 LEU A 84 7.064 -3.412 -0.649 1.00 0.00 C ATOM 0 H LEU A 84 4.937 -6.852 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 84 7.255 -5.799 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.418 -4.759 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.872 -4.024 1.733 1.00 0.00 H new ATOM 0 HG LEU A 84 5.212 -4.308 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.891 -1.867 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.739 -2.715 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.149 -1.888 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.135 -2.803 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.482 -2.862 0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.623 -4.337 -0.791 1.00 0.00 H new ATOM 1301 N LYS A 85 6.453 -6.737 3.133 1.00 0.00 N ATOM 1302 CA LYS A 85 6.117 -7.503 4.328 1.00 0.00 C ATOM 1303 C LYS A 85 5.925 -6.581 5.528 1.00 0.00 C ATOM 1304 O LYS A 85 6.574 -5.541 5.634 1.00 0.00 O ATOM 1305 CB LYS A 85 7.214 -8.527 4.628 1.00 0.00 C ATOM 1306 CG LYS A 85 8.449 -7.923 5.275 1.00 0.00 C ATOM 1307 CD LYS A 85 9.463 -8.992 5.644 1.00 0.00 C ATOM 1308 CE LYS A 85 10.330 -8.557 6.816 1.00 0.00 C ATOM 1309 NZ LYS A 85 11.553 -7.837 6.363 1.00 0.00 N ATOM 0 H LYS A 85 7.287 -6.157 3.225 1.00 0.00 H new ATOM 0 HA LYS A 85 5.180 -8.028 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.810 -9.298 5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.504 -9.019 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.906 -7.207 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.159 -7.370 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.943 -9.916 5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.095 -9.208 4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.751 -7.911 7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.618 -9.432 7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.395 -8.401 6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.509 -7.692 5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.610 -6.915 6.841 1.00 0.00 H new ATOM 1323 N ALA A 86 5.031 -6.971 6.431 1.00 0.00 N ATOM 1324 CA ALA A 86 4.757 -6.181 7.625 1.00 0.00 C ATOM 1325 C ALA A 86 5.520 -6.724 8.829 1.00 0.00 C ATOM 1326 O ALA A 86 6.208 -7.739 8.733 1.00 0.00 O ATOM 1327 CB ALA A 86 3.263 -6.158 7.911 1.00 0.00 C ATOM 0 H ALA A 86 4.484 -7.829 6.358 1.00 0.00 H new ATOM 0 HA ALA A 86 5.096 -5.161 7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.073 -5.565 8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.737 -5.717 7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.907 -7.176 8.069 1.00 0.00 H new ATOM 1333 N ALA A 87 5.393 -6.040 9.961 1.00 0.00 N ATOM 1334 CA ALA A 87 6.069 -6.454 11.184 1.00 0.00 C ATOM 1335 C ALA A 87 5.737 -7.901 11.532 1.00 0.00 C ATOM 1336 O ALA A 87 6.597 -8.780 11.470 1.00 0.00 O ATOM 1337 CB ALA A 87 5.692 -5.533 12.334 1.00 0.00 C ATOM 0 H ALA A 87 4.828 -5.196 10.057 1.00 0.00 H new ATOM 0 HA ALA A 87 7.144 -6.385 11.016 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.204 -5.855 13.241 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.987 -4.511 12.094 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.614 -5.572 12.493 1.00 0.00 H new ATOM 1343 N THR A 88 4.482 -8.143 11.899 1.00 0.00 N ATOM 1344 CA THR A 88 4.036 -9.483 12.259 1.00 0.00 C ATOM 1345 C THR A 88 2.889 -9.940 11.365 1.00 0.00 C ATOM 1346 O THR A 88 2.488 -9.231 10.441 1.00 0.00 O ATOM 1347 CB THR A 88 3.583 -9.549 13.730 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.510 -8.626 13.953 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.737 -9.228 14.667 1.00 0.00 C ATOM 0 H THR A 88 3.757 -7.428 11.955 1.00 0.00 H new ATOM 0 HA THR A 88 4.889 -10.147 12.119 1.00 0.00 H new ATOM 0 HB THR A 88 3.240 -10.563 13.937 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.226 -8.675 14.890 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.393 -9.281 15.700 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.540 -9.949 14.515 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.106 -8.224 14.459 1.00 0.00 H new ATOM 1357 N LYS A 89 2.364 -11.128 11.644 1.00 0.00 N ATOM 1358 CA LYS A 89 1.261 -11.679 10.866 1.00 0.00 C ATOM 1359 C LYS A 89 0.015 -10.809 10.997 1.00 0.00 C ATOM 1360 O LYS A 89 -0.768 -10.686 10.055 1.00 0.00 O ATOM 1361 CB LYS A 89 0.949 -13.106 11.325 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.285 -13.700 10.669 1.00 0.00 C ATOM 1363 CD LYS A 89 0.057 -14.388 9.358 1.00 0.00 C ATOM 1364 CE LYS A 89 -1.121 -15.189 8.826 1.00 0.00 C ATOM 1365 NZ LYS A 89 -1.205 -16.537 9.454 1.00 0.00 N ATOM 0 H LYS A 89 2.685 -11.728 12.404 1.00 0.00 H new ATOM 0 HA LYS A 89 1.562 -11.698 9.819 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.807 -13.743 11.110 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.812 -13.109 12.406 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.749 -14.416 11.347 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.017 -12.913 10.488 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.354 -13.642 8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.911 -15.049 9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.046 -14.643 9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.028 -15.297 7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.021 -17.051 9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.333 -17.068 9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.319 -16.434 10.483 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.161 -10.206 12.168 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.311 -9.347 12.419 1.00 0.00 C ATOM 1381 C GLN A 90 -1.107 -7.968 11.800 1.00 0.00 C ATOM 1382 O GLN A 90 -2.065 -7.231 11.572 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.555 -9.211 13.923 1.00 0.00 C ATOM 1384 CG GLN A 90 -2.417 -10.322 14.502 1.00 0.00 C ATOM 1385 CD GLN A 90 -2.171 -10.540 15.982 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -1.339 -11.361 16.370 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -2.894 -9.804 16.818 1.00 0.00 N ATOM 0 H GLN A 90 0.478 -10.297 12.958 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.183 -9.808 11.956 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.595 -9.201 14.439 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.033 -8.251 14.120 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.468 -10.081 14.344 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.218 -11.249 13.964 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -3.572 -9.136 16.453 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.771 -9.907 17.825 1.00 0.00 H new ATOM 1396 N ALA A 91 0.149 -7.627 11.529 1.00 0.00 N ATOM 1397 CA ALA A 91 0.479 -6.338 10.934 1.00 0.00 C ATOM 1398 C ALA A 91 -0.093 -6.221 9.525 1.00 0.00 C ATOM 1399 O ALA A 91 -0.958 -5.385 9.264 1.00 0.00 O ATOM 1400 CB ALA A 91 1.987 -6.137 10.912 1.00 0.00 C ATOM 0 H ALA A 91 0.954 -8.226 11.712 1.00 0.00 H new ATOM 0 HA ALA A 91 0.029 -5.557 11.547 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.219 -5.170 10.465 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.373 -6.168 11.931 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.451 -6.929 10.324 1.00 0.00 H new ATOM 1406 N MET A 92 0.396 -7.063 8.621 1.00 0.00 N ATOM 1407 CA MET A 92 -0.068 -7.054 7.238 1.00 0.00 C ATOM 1408 C MET A 92 -1.590 -6.985 7.176 1.00 0.00 C ATOM 1409 O MET A 92 -2.155 -6.169 6.447 1.00 0.00 O ATOM 1410 CB MET A 92 0.429 -8.300 6.503 1.00 0.00 C ATOM 1411 CG MET A 92 0.151 -9.596 7.248 1.00 0.00 C ATOM 1412 SD MET A 92 -1.438 -10.324 6.805 1.00 0.00 S ATOM 1413 CE MET A 92 -0.981 -12.046 6.621 1.00 0.00 C ATOM 0 H MET A 92 1.113 -7.760 8.821 1.00 0.00 H new ATOM 0 HA MET A 92 0.338 -6.168 6.750 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.044 -8.346 5.522 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.502 -8.209 6.336 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.946 -10.311 7.035 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.173 -9.406 8.321 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.131 -12.354 5.586 1.00 0.00 H new ATOM 0 HE2 MET A 92 0.068 -12.175 6.889 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.601 -12.659 7.275 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.249 -7.845 7.944 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.707 -7.882 7.976 1.00 0.00 C ATOM 1425 C LEU A 93 -4.287 -6.472 7.978 1.00 0.00 C ATOM 1426 O LEU A 93 -5.281 -6.197 7.304 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.190 -8.647 9.210 1.00 0.00 C ATOM 1428 CG LEU A 93 -3.779 -10.117 9.292 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -4.119 -10.691 10.659 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -4.455 -10.922 8.191 1.00 0.00 C ATOM 0 H LEU A 93 -1.797 -8.527 8.553 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.053 -8.396 7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.818 -8.136 10.098 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.278 -8.592 9.244 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.700 -10.181 9.152 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.819 -11.738 10.699 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.589 -10.132 11.430 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.193 -10.614 10.829 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.151 -11.966 8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.537 -10.851 8.300 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.162 -10.526 7.219 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.660 -5.581 8.737 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.114 -4.198 8.827 1.00 0.00 C ATOM 1444 C TYR A 94 -3.942 -3.480 7.492 1.00 0.00 C ATOM 1445 O TYR A 94 -4.826 -2.747 7.050 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.343 -3.456 9.920 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.468 -1.952 9.834 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -4.674 -1.318 10.105 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.379 -1.164 9.482 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -4.792 0.056 10.027 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.487 0.211 9.403 1.00 0.00 C ATOM 1452 CZ TYR A 94 -3.696 0.816 9.676 1.00 0.00 C ATOM 1453 OH TYR A 94 -3.810 2.186 9.598 1.00 0.00 O ATOM 0 H TYR A 94 -2.835 -5.791 9.299 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.174 -4.206 9.081 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.702 -3.787 10.895 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.289 -3.729 9.859 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.534 -1.910 10.381 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.431 -1.635 9.266 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.737 0.533 10.240 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.630 0.808 9.129 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.947 2.572 9.340 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.797 -3.698 6.854 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.508 -3.073 5.568 1.00 0.00 C ATOM 1465 C TRP A 95 -3.436 -3.607 4.483 1.00 0.00 C ATOM 1466 O TRP A 95 -4.047 -2.836 3.740 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.050 -3.318 5.175 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.115 -2.259 5.674 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.613 -2.286 6.830 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.192 -1.015 5.034 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.353 -1.135 6.946 1.00 0.00 N ATOM 1472 CE2 TRP A 95 1.113 -0.339 5.857 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.221 -0.408 3.845 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.626 0.913 5.528 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.288 0.834 3.520 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.204 1.484 4.358 1.00 0.00 C ATOM 0 H TRP A 95 -2.054 -4.302 7.206 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.675 -2.000 5.668 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.734 -4.285 5.565 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.978 -3.374 4.089 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.607 -3.094 7.547 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.980 -0.909 7.718 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.926 -0.901 3.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.332 1.415 6.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.025 1.313 2.604 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.584 2.454 4.075 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.539 -4.928 4.395 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.394 -5.565 3.399 1.00 0.00 C ATOM 1489 C LEU A 96 -5.833 -5.074 3.523 1.00 0.00 C ATOM 1490 O LEU A 96 -6.460 -4.702 2.531 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.347 -7.086 3.554 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.953 -7.714 3.583 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -3.052 -9.232 3.599 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -2.131 -7.244 2.392 1.00 0.00 C ATOM 0 H LEU A 96 -3.041 -5.580 5.001 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.021 -5.296 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.864 -7.354 4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.908 -7.533 2.733 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.450 -7.393 4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.050 -9.662 3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.602 -9.551 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.574 -9.572 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.142 -7.701 2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.630 -7.535 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.031 -6.159 2.425 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.349 -5.074 4.748 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.714 -4.627 5.002 1.00 0.00 C ATOM 1508 C GLN A 97 -7.872 -3.146 4.672 1.00 0.00 C ATOM 1509 O GLN A 97 -8.741 -2.765 3.889 1.00 0.00 O ATOM 1510 CB GLN A 97 -8.093 -4.880 6.462 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.412 -4.243 6.867 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.611 -5.089 6.485 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.573 -5.833 5.504 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.684 -4.980 7.259 1.00 0.00 N ATOM 0 H GLN A 97 -5.843 -5.378 5.580 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.382 -5.197 4.357 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.151 -5.955 6.633 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.301 -4.497 7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.416 -4.079 7.945 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.498 -3.264 6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.672 -4.351 8.062 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.521 -5.525 7.051 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.026 -2.317 5.276 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.074 -0.878 5.048 1.00 0.00 C ATOM 1525 C GLN A 98 -6.915 -0.557 3.565 1.00 0.00 C ATOM 1526 O GLN A 98 -7.814 0.009 2.942 1.00 0.00 O ATOM 1527 CB GLN A 98 -5.980 -0.176 5.853 1.00 0.00 C ATOM 1528 CG GLN A 98 -6.362 0.082 7.302 1.00 0.00 C ATOM 1529 CD GLN A 98 -7.793 0.558 7.452 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -8.061 1.760 7.476 1.00 0.00 O ATOM 1531 NE2 GLN A 98 -8.723 -0.384 7.554 1.00 0.00 N ATOM 0 H GLN A 98 -6.300 -2.617 5.926 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.047 -0.515 5.378 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.075 -0.783 5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.741 0.774 5.374 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.225 -0.833 7.878 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.689 0.828 7.724 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -8.457 -1.368 7.529 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.704 -0.123 7.657 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.767 -0.922 3.006 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.490 -0.673 1.595 1.00 0.00 C ATOM 1542 C LEU A 99 -6.748 -0.858 0.752 1.00 0.00 C ATOM 1543 O LEU A 99 -7.026 -0.063 -0.145 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.387 -1.610 1.098 1.00 0.00 C ATOM 1545 CG LEU A 99 -2.961 -1.248 1.515 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -1.996 -2.361 1.138 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.537 0.067 0.876 1.00 0.00 C ATOM 0 H LEU A 99 -5.013 -1.391 3.507 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.155 0.359 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.604 -2.616 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.429 -1.643 0.009 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.939 -1.127 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.986 -2.086 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.288 -3.282 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.021 -2.514 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.520 0.310 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.576 -0.027 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.212 0.861 1.196 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.504 -1.909 1.049 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.733 -2.197 0.319 1.00 0.00 C ATOM 1561 C GLN A 100 -9.735 -1.057 0.471 1.00 0.00 C ATOM 1562 O GLN A 100 -10.236 -0.523 -0.518 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.351 -3.505 0.815 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.815 -4.738 0.106 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.627 -5.983 0.405 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -10.069 -6.684 -0.506 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -9.829 -6.265 1.687 1.00 0.00 N ATOM 0 H GLN A 100 -7.287 -2.576 1.790 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.484 -2.299 -0.737 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.166 -3.602 1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.432 -3.460 0.681 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.811 -4.561 -0.970 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.780 -4.903 0.405 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.444 -5.657 2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.369 -7.090 1.949 1.00 0.00 H new ATOM 1576 N MET A 101 -10.023 -0.691 1.716 1.00 0.00 N ATOM 1577 CA MET A 101 -10.965 0.386 1.996 1.00 0.00 C ATOM 1578 C MET A 101 -10.866 1.484 0.942 1.00 0.00 C ATOM 1579 O MET A 101 -11.873 1.904 0.371 1.00 0.00 O ATOM 1580 CB MET A 101 -10.704 0.972 3.385 1.00 0.00 C ATOM 1581 CG MET A 101 -11.154 0.068 4.521 1.00 0.00 C ATOM 1582 SD MET A 101 -12.884 -0.419 4.377 1.00 0.00 S ATOM 1583 CE MET A 101 -12.714 -2.152 3.956 1.00 0.00 C ATOM 0 H MET A 101 -9.618 -1.124 2.546 1.00 0.00 H new ATOM 0 HA MET A 101 -11.972 -0.030 1.968 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.638 1.172 3.491 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.218 1.930 3.469 1.00 0.00 H new ATOM 0 HG2 MET A 101 -10.529 -0.825 4.539 1.00 0.00 H new ATOM 0 HG3 MET A 101 -11.003 0.582 5.471 1.00 0.00 H new ATOM 0 HE1 MET A 101 -13.702 -2.595 3.833 1.00 0.00 H new ATOM 0 HE2 MET A 101 -12.156 -2.247 3.025 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.181 -2.670 4.753 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.647 1.945 0.687 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.415 2.993 -0.300 1.00 0.00 C ATOM 1595 C LYS A 102 -9.943 2.577 -1.670 1.00 0.00 C ATOM 1596 O LYS A 102 -10.770 3.269 -2.263 1.00 0.00 O ATOM 1597 CB LYS A 102 -7.922 3.313 -0.393 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.305 3.729 0.931 1.00 0.00 C ATOM 1599 CD LYS A 102 -7.825 5.082 1.388 1.00 0.00 C ATOM 1600 CE LYS A 102 -6.995 5.640 2.534 1.00 0.00 C ATOM 1601 NZ LYS A 102 -7.723 6.703 3.280 1.00 0.00 N ATOM 0 H LYS A 102 -8.803 1.609 1.151 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.952 3.885 0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.394 2.437 -0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.775 4.112 -1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.527 2.978 1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.220 3.770 0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.809 5.781 0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.864 4.986 1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.731 4.833 3.217 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.062 6.045 2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.124 7.057 4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.953 7.485 2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.601 6.310 3.675 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.460 1.442 -2.165 1.00 0.00 N ATOM 1616 CA ARG A 103 -9.883 0.934 -3.464 1.00 0.00 C ATOM 1617 C ARG A 103 -11.364 0.567 -3.448 1.00 0.00 C ATOM 1618 O ARG A 103 -12.173 1.178 -4.146 1.00 0.00 O ATOM 1619 CB ARG A 103 -9.048 -0.286 -3.856 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.620 -1.064 -5.030 1.00 0.00 C ATOM 1621 CD ARG A 103 -8.973 -2.434 -5.158 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.848 -3.392 -5.830 1.00 0.00 N ATOM 1623 CZ ARG A 103 -9.548 -4.676 -5.988 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -8.402 -5.154 -5.525 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -10.396 -5.485 -6.611 1.00 0.00 N ATOM 0 H ARG A 103 -8.775 0.857 -1.686 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.729 1.722 -4.201 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.038 0.040 -4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.966 -0.951 -2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.696 -1.179 -4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.467 -0.501 -5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.040 -2.344 -5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.719 -2.809 -4.167 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.738 -3.056 -6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.748 -4.535 -5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.174 -6.141 -5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.279 -5.121 -6.969 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -10.165 -6.471 -6.732 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.711 -0.434 -2.648 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.095 -0.884 -2.541 1.00 0.00 C ATOM 1641 C TRP A 104 -14.056 0.299 -2.584 1.00 0.00 C ATOM 1642 O TRP A 104 -15.028 0.293 -3.338 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.297 -1.675 -1.249 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.709 -1.640 -0.745 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.727 -2.478 -1.102 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.257 -0.719 0.204 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -16.876 -2.133 -0.431 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.614 -1.058 0.376 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -14.735 0.357 0.926 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.451 -0.357 1.240 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -15.567 1.051 1.782 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -16.913 0.692 1.935 1.00 0.00 C ATOM 0 H TRP A 104 -11.054 -0.950 -2.063 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.308 -1.532 -3.391 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -13.004 -2.711 -1.417 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.635 -1.277 -0.480 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.642 -3.291 -1.807 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.778 -2.602 -0.520 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.699 0.641 0.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.489 -0.632 1.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.173 1.885 2.344 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.537 1.254 2.614 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.777 1.312 -1.769 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.619 2.502 -1.714 1.00 0.00 C ATOM 1665 C GLU A 105 -14.869 3.056 -3.114 1.00 0.00 C ATOM 1666 O GLU A 105 -16.009 3.117 -3.575 1.00 0.00 O ATOM 1667 CB GLU A 105 -13.969 3.574 -0.838 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.364 3.485 0.626 1.00 0.00 C ATOM 1669 CD GLU A 105 -14.090 4.770 1.384 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -13.001 5.350 1.191 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -14.962 5.195 2.169 1.00 0.00 O ATOM 0 H GLU A 105 -12.975 1.333 -1.139 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.577 2.219 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.885 3.490 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.241 4.558 -1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.425 3.244 0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.819 2.667 1.096 1.00 0.00 H new ATOM 1678 N PHE A 106 -13.795 3.459 -3.785 1.00 0.00 N ATOM 1679 CA PHE A 106 -13.896 4.011 -5.131 1.00 0.00 C ATOM 1680 C PHE A 106 -14.916 3.236 -5.960 1.00 0.00 C ATOM 1681 O PHE A 106 -15.676 3.819 -6.734 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.532 3.980 -5.822 1.00 0.00 C ATOM 1683 CG PHE A 106 -12.617 4.027 -7.321 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -12.943 5.205 -7.973 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.373 2.892 -8.078 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -13.022 5.253 -9.352 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.451 2.933 -9.457 1.00 0.00 C ATOM 1688 CZ PHE A 106 -12.777 4.115 -10.095 1.00 0.00 C ATOM 0 H PHE A 106 -12.844 3.414 -3.418 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.230 5.045 -5.049 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.938 4.825 -5.473 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -12.004 3.074 -5.524 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -13.138 6.097 -7.396 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -12.119 1.965 -7.585 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -13.275 6.179 -9.848 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -12.257 2.042 -10.036 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.840 4.149 -11.173 1.00 0.00 H new ATOM 1698 N HIS A 107 -14.927 1.917 -5.793 1.00 0.00 N ATOM 1699 CA HIS A 107 -15.854 1.061 -6.525 1.00 0.00 C ATOM 1700 C HIS A 107 -17.286 1.272 -6.042 1.00 0.00 C ATOM 1701 O HIS A 107 -18.230 1.223 -6.829 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.460 -0.407 -6.365 1.00 0.00 C ATOM 1703 CG HIS A 107 -14.184 -0.765 -7.063 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -14.055 -0.774 -8.436 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -12.976 -1.127 -6.571 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.824 -1.127 -8.758 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -12.148 -1.346 -7.644 1.00 0.00 N ATOM 0 H HIS A 107 -14.305 1.418 -5.157 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.802 1.330 -7.580 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.360 -0.634 -5.304 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -16.264 -1.034 -6.751 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.713 -1.225 -5.528 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.436 -1.221 -9.761 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -11.170 -1.631 -7.590 1.00 0.00 H new ATOM 1716 N ASN A 108 -17.438 1.505 -4.743 1.00 0.00 N ATOM 1717 CA ASN A 108 -18.755 1.722 -4.154 1.00 0.00 C ATOM 1718 C ASN A 108 -19.288 3.107 -4.509 1.00 0.00 C ATOM 1719 O ASN A 108 -20.481 3.279 -4.759 1.00 0.00 O ATOM 1720 CB ASN A 108 -18.691 1.561 -2.634 1.00 0.00 C ATOM 1721 CG ASN A 108 -18.660 0.107 -2.207 1.00 0.00 C ATOM 1722 OD1 ASN A 108 -19.514 -0.347 -1.446 1.00 0.00 O ATOM 1723 ND2 ASN A 108 -17.671 -0.633 -2.697 1.00 0.00 N ATOM 0 H ASN A 108 -16.666 1.549 -4.078 1.00 0.00 H new ATOM 0 HA ASN A 108 -19.435 0.975 -4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -17.803 2.067 -2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -19.554 2.051 -2.183 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -17.598 -1.619 -2.445 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -16.984 -0.215 -3.325 1.00 0.00 H new ATOM 1730 N SER A 109 -18.395 4.091 -4.529 1.00 0.00 N ATOM 1731 CA SER A 109 -18.776 5.462 -4.849 1.00 0.00 C ATOM 1732 C SER A 109 -19.859 5.488 -5.924 1.00 0.00 C ATOM 1733 O SER A 109 -19.878 4.668 -6.842 1.00 0.00 O ATOM 1734 CB SER A 109 -17.555 6.255 -5.320 1.00 0.00 C ATOM 1735 OG SER A 109 -17.248 5.964 -6.672 1.00 0.00 O ATOM 0 H SER A 109 -17.403 3.965 -4.328 1.00 0.00 H new ATOM 0 HA SER A 109 -19.174 5.923 -3.945 1.00 0.00 H new ATOM 0 HB2 SER A 109 -17.746 7.322 -5.209 1.00 0.00 H new ATOM 0 HB3 SER A 109 -16.698 6.017 -4.690 1.00 0.00 H new ATOM 0 HG SER A 109 -16.922 5.042 -6.742 1.00 0.00 H new ATOM 1741 N PRO A 110 -20.783 6.453 -5.807 1.00 0.00 N ATOM 1742 CA PRO A 110 -21.887 6.611 -6.759 1.00 0.00 C ATOM 1743 C PRO A 110 -21.410 7.096 -8.123 1.00 0.00 C ATOM 1744 O PRO A 110 -20.258 7.491 -8.301 1.00 0.00 O ATOM 1745 CB PRO A 110 -22.778 7.665 -6.097 1.00 0.00 C ATOM 1746 CG PRO A 110 -21.858 8.441 -5.219 1.00 0.00 C ATOM 1747 CD PRO A 110 -20.822 7.464 -4.737 1.00 0.00 C ATOM 0 HA PRO A 110 -22.395 5.667 -6.955 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -23.251 8.307 -6.840 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -23.578 7.201 -5.520 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -21.395 9.261 -5.767 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -22.398 8.882 -4.381 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -19.852 7.942 -4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -21.099 7.025 -3.779 1.00 0.00 H new ATOM 1755 N PRO A 111 -22.317 7.068 -9.112 1.00 0.00 N ATOM 1756 CA PRO A 111 -22.011 7.503 -10.478 1.00 0.00 C ATOM 1757 C PRO A 111 -21.809 9.012 -10.574 1.00 0.00 C ATOM 1758 O PRO A 111 -21.816 9.714 -9.564 1.00 0.00 O ATOM 1759 CB PRO A 111 -23.250 7.078 -11.271 1.00 0.00 C ATOM 1760 CG PRO A 111 -24.348 7.037 -10.264 1.00 0.00 C ATOM 1761 CD PRO A 111 -23.709 6.610 -8.972 1.00 0.00 C ATOM 0 HA PRO A 111 -21.082 7.068 -10.846 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -23.471 7.786 -12.069 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -23.106 6.104 -11.739 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -24.820 8.014 -10.162 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -25.127 6.336 -10.564 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -24.198 7.067 -8.112 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -23.765 5.530 -8.834 1.00 0.00 H new ATOM 1769 N ALA A 112 -21.630 9.503 -11.796 1.00 0.00 N ATOM 1770 CA ALA A 112 -21.428 10.929 -12.024 1.00 0.00 C ATOM 1771 C ALA A 112 -22.263 11.763 -11.058 1.00 0.00 C ATOM 1772 O ALA A 112 -23.387 11.406 -10.705 1.00 0.00 O ATOM 1773 CB ALA A 112 -21.768 11.286 -13.463 1.00 0.00 C ATOM 0 H ALA A 112 -21.621 8.935 -12.643 1.00 0.00 H new ATOM 0 HA ALA A 112 -20.377 11.156 -11.843 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -21.613 12.353 -13.619 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -21.125 10.723 -14.139 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -22.810 11.038 -13.663 1.00 0.00 H new ATOM 1779 N PRO A 113 -21.703 12.899 -10.619 1.00 0.00 N ATOM 1780 CA PRO A 113 -22.379 13.807 -9.688 1.00 0.00 C ATOM 1781 C PRO A 113 -23.561 14.524 -10.332 1.00 0.00 C ATOM 1782 O PRO A 113 -23.930 14.233 -11.470 1.00 0.00 O ATOM 1783 CB PRO A 113 -21.285 14.811 -9.314 1.00 0.00 C ATOM 1784 CG PRO A 113 -20.344 14.793 -10.468 1.00 0.00 C ATOM 1785 CD PRO A 113 -20.366 13.386 -10.999 1.00 0.00 C ATOM 0 HA PRO A 113 -22.800 13.276 -8.834 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -21.699 15.807 -9.156 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -20.784 14.524 -8.390 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -20.653 15.504 -11.234 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -19.339 15.077 -10.156 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -20.221 13.362 -12.079 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -19.576 12.778 -10.558 1.00 0.00 H new ATOM 1793 N SER A 114 -24.151 15.461 -9.598 1.00 0.00 N ATOM 1794 CA SER A 114 -25.294 16.217 -10.097 1.00 0.00 C ATOM 1795 C SER A 114 -26.473 15.293 -10.383 1.00 0.00 C ATOM 1796 O SER A 114 -27.131 15.408 -11.416 1.00 0.00 O ATOM 1797 CB SER A 114 -24.911 16.982 -11.365 1.00 0.00 C ATOM 1798 OG SER A 114 -23.742 17.756 -11.162 1.00 0.00 O ATOM 0 H SER A 114 -23.857 15.715 -8.655 1.00 0.00 H new ATOM 0 HA SER A 114 -25.592 16.929 -9.327 1.00 0.00 H new ATOM 0 HB2 SER A 114 -24.748 16.279 -12.182 1.00 0.00 H new ATOM 0 HB3 SER A 114 -25.734 17.632 -11.663 1.00 0.00 H new ATOM 0 HG SER A 114 -23.518 18.233 -11.988 1.00 0.00 H new ATOM 1804 N GLY A 115 -26.735 14.374 -9.457 1.00 0.00 N ATOM 1805 CA GLY A 115 -27.835 13.443 -9.627 1.00 0.00 C ATOM 1806 C GLY A 115 -29.188 14.106 -9.463 1.00 0.00 C ATOM 1807 O GLY A 115 -29.287 15.300 -9.176 1.00 0.00 O ATOM 0 H GLY A 115 -26.205 14.258 -8.593 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -27.774 12.990 -10.617 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -27.739 12.636 -8.901 1.00 0.00 H new ATOM 1811 N PRO A 116 -30.261 13.324 -9.649 1.00 0.00 N ATOM 1812 CA PRO A 116 -31.634 13.822 -9.526 1.00 0.00 C ATOM 1813 C PRO A 116 -32.004 14.154 -8.084 1.00 0.00 C ATOM 1814 O PRO A 116 -32.634 15.176 -7.814 1.00 0.00 O ATOM 1815 CB PRO A 116 -32.482 12.656 -10.040 1.00 0.00 C ATOM 1816 CG PRO A 116 -31.642 11.448 -9.812 1.00 0.00 C ATOM 1817 CD PRO A 116 -30.217 11.893 -9.993 1.00 0.00 C ATOM 0 HA PRO A 116 -31.781 14.750 -10.078 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -33.428 12.588 -9.503 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -32.723 12.777 -11.096 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -31.801 11.046 -8.812 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -31.896 10.657 -10.518 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -29.538 11.343 -9.341 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -29.874 11.736 -11.015 1.00 0.00 H new ATOM 1825 N SER A 117 -31.607 13.284 -7.161 1.00 0.00 N ATOM 1826 CA SER A 117 -31.899 13.483 -5.746 1.00 0.00 C ATOM 1827 C SER A 117 -33.331 13.973 -5.551 1.00 0.00 C ATOM 1828 O SER A 117 -33.589 14.861 -4.739 1.00 0.00 O ATOM 1829 CB SER A 117 -30.917 14.486 -5.137 1.00 0.00 C ATOM 1830 OG SER A 117 -29.739 13.839 -4.689 1.00 0.00 O ATOM 0 H SER A 117 -31.082 12.434 -7.368 1.00 0.00 H new ATOM 0 HA SER A 117 -31.789 12.524 -5.239 1.00 0.00 H new ATOM 0 HB2 SER A 117 -30.660 15.244 -5.877 1.00 0.00 H new ATOM 0 HB3 SER A 117 -31.391 15.003 -4.303 1.00 0.00 H new ATOM 0 HG SER A 117 -29.127 14.502 -4.306 1.00 0.00 H new ATOM 1836 N SER A 118 -34.257 13.386 -6.302 1.00 0.00 N ATOM 1837 CA SER A 118 -35.663 13.764 -6.216 1.00 0.00 C ATOM 1838 C SER A 118 -36.419 12.833 -5.274 1.00 0.00 C ATOM 1839 O SER A 118 -35.904 11.793 -4.865 1.00 0.00 O ATOM 1840 CB SER A 118 -36.307 13.737 -7.603 1.00 0.00 C ATOM 1841 OG SER A 118 -37.433 14.596 -7.660 1.00 0.00 O ATOM 0 H SER A 118 -34.059 12.647 -6.977 1.00 0.00 H new ATOM 0 HA SER A 118 -35.717 14.777 -5.818 1.00 0.00 H new ATOM 0 HB2 SER A 118 -35.576 14.040 -8.353 1.00 0.00 H new ATOM 0 HB3 SER A 118 -36.610 12.719 -7.847 1.00 0.00 H new ATOM 0 HG SER A 118 -37.825 14.562 -8.557 1.00 0.00 H new ATOM 1847 N GLY A 119 -37.647 13.214 -4.933 1.00 0.00 N ATOM 1848 CA GLY A 119 -38.455 12.403 -4.042 1.00 0.00 C ATOM 1849 C GLY A 119 -37.760 12.120 -2.725 1.00 0.00 C ATOM 1850 O GLY A 119 -37.883 12.891 -1.773 1.00 0.00 O ATOM 0 H GLY A 119 -38.096 14.070 -5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -39.399 12.912 -3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -38.696 11.460 -4.532 1.00 0.00 H new TER 1854 GLY A 119