USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 759 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 40 SER OG : rot 103:sc= -1.05! USER MOD Set 1.2: A 134 LYS NZ :NH3+ 163:sc= 0.447 (180deg=-0.0489) USER MOD Single : A 6 SER OG : rot 16:sc= 0.536 USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.135) USER MOD Single : A 9 TYR OH : rot 150:sc= -0.598 USER MOD Single : A 11 SER OG : rot 10:sc= 0.765 USER MOD Single : A 12 HIS : no HD1:sc= -3.88! C(o=-3.9!,f=-3.6!) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot -50:sc= -0.572 USER MOD Single : A 19 SER OG : rot 180:sc= -0.398 USER MOD Single : A 21 LYS NZ :NH3+ -166:sc=-0.00242 (180deg=-0.159) USER MOD Single : A 22 SER OG : rot 112:sc= 0.135 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0059 K(o=-0.0059,f=-1.5!) USER MOD Single : A 32 LYS NZ :NH3+ 145:sc= -0.256 (180deg=-1.2!) USER MOD Single : A 35 SER OG : rot -52:sc= 0.00319 USER MOD Single : A 37 ASN : amide:sc= -4.16! C(o=-4.2!,f=-3.2!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 134:sc= 0.869 USER MOD Single : A 52 SER OG : rot -47:sc= 0.843 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -66:sc= 1.07 USER MOD Single : A 63 TYR OH : rot 80:sc= -0.415 USER MOD Single : A 69 HIS : no HD1:sc= -3.61 K(o=-3.6,f=-0.84) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 160:sc= -0.0809 (180deg=-0.512) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot -89:sc= 0.819 USER MOD Single : A 112 SER OG : rot -49:sc= -0.354! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -13:sc= 0.109 USER MOD Single : A 121 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.275) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0.133 K(o=0.13,f=-9.7!) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 6 -6.584 15.361 0.891 1.00 0.00 N ATOM 81 CA SER A 6 -5.729 14.514 1.774 1.00 0.00 C ATOM 82 C SER A 6 -6.512 14.171 3.046 1.00 0.00 C ATOM 83 O SER A 6 -7.314 14.955 3.516 1.00 0.00 O ATOM 84 CB SER A 6 -4.455 15.279 2.141 1.00 0.00 C ATOM 85 OG SER A 6 -4.028 16.042 1.020 1.00 0.00 O ATOM 0 HA SER A 6 -5.455 13.596 1.254 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.642 15.934 2.992 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.672 14.583 2.441 1.00 0.00 H new ATOM 0 HG SER A 6 -4.762 16.114 0.375 1.00 0.00 H new ATOM 91 N LYS A 7 -6.295 13.005 3.603 1.00 0.00 N ATOM 92 CA LYS A 7 -7.040 12.618 4.842 1.00 0.00 C ATOM 93 C LYS A 7 -6.048 12.257 5.947 1.00 0.00 C ATOM 94 O LYS A 7 -5.111 11.521 5.732 1.00 0.00 O ATOM 95 CB LYS A 7 -7.930 11.409 4.543 1.00 0.00 C ATOM 96 CG LYS A 7 -8.892 11.745 3.396 1.00 0.00 C ATOM 97 CD LYS A 7 -10.117 12.500 3.940 1.00 0.00 C ATOM 98 CE LYS A 7 -10.547 13.575 2.939 1.00 0.00 C ATOM 99 NZ LYS A 7 -10.922 12.932 1.648 1.00 0.00 N ATOM 0 H LYS A 7 -5.637 12.307 3.256 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.657 13.455 5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.315 10.550 4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.494 11.131 5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.382 12.353 2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.211 10.829 2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.937 11.804 4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.877 12.958 4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.392 14.139 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.735 14.285 2.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.402 13.627 1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.065 12.588 1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.561 12.132 1.831 1.00 0.00 H new ATOM 113 N ALA A 8 -6.248 12.769 7.132 1.00 0.00 N ATOM 114 CA ALA A 8 -5.313 12.452 8.249 1.00 0.00 C ATOM 115 C ALA A 8 -5.691 11.110 8.876 1.00 0.00 C ATOM 116 O ALA A 8 -6.806 10.643 8.747 1.00 0.00 O ATOM 117 CB ALA A 8 -5.391 13.553 9.312 1.00 0.00 C ATOM 0 H ALA A 8 -7.018 13.393 7.374 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.297 12.393 7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.707 13.320 10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.113 14.509 8.867 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.409 13.615 9.698 1.00 0.00 H new ATOM 123 N TYR A 9 -4.770 10.491 9.559 1.00 0.00 N ATOM 124 CA TYR A 9 -5.067 9.180 10.202 1.00 0.00 C ATOM 125 C TYR A 9 -3.901 8.798 11.119 1.00 0.00 C ATOM 126 O TYR A 9 -2.751 8.836 10.724 1.00 0.00 O ATOM 127 CB TYR A 9 -5.254 8.108 9.120 1.00 0.00 C ATOM 128 CG TYR A 9 -6.236 7.064 9.599 1.00 0.00 C ATOM 129 CD1 TYR A 9 -5.944 6.298 10.734 1.00 0.00 C ATOM 130 CD2 TYR A 9 -7.439 6.861 8.910 1.00 0.00 C ATOM 131 CE1 TYR A 9 -6.852 5.330 11.180 1.00 0.00 C ATOM 132 CE2 TYR A 9 -8.347 5.894 9.356 1.00 0.00 C ATOM 133 CZ TYR A 9 -8.054 5.129 10.491 1.00 0.00 C ATOM 134 OH TYR A 9 -8.949 4.175 10.930 1.00 0.00 O ATOM 0 H TYR A 9 -3.821 10.837 9.700 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.982 9.254 10.789 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.616 8.566 8.200 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.297 7.641 8.888 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.017 6.454 11.266 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.666 7.451 8.034 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.625 4.739 12.055 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -9.274 5.738 8.824 1.00 0.00 H new ATOM 0 HH TYR A 9 -9.861 4.451 10.699 1.00 0.00 H new ATOM 144 N GLY A 10 -4.185 8.436 12.338 1.00 0.00 N ATOM 145 CA GLY A 10 -3.089 8.058 13.275 1.00 0.00 C ATOM 146 C GLY A 10 -2.224 9.285 13.568 1.00 0.00 C ATOM 147 O GLY A 10 -2.318 9.886 14.619 1.00 0.00 O ATOM 0 H GLY A 10 -5.127 8.385 12.727 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.507 7.665 14.202 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.480 7.266 12.839 1.00 0.00 H new ATOM 151 N SER A 11 -1.383 9.665 12.643 1.00 0.00 N ATOM 152 CA SER A 11 -0.514 10.854 12.869 1.00 0.00 C ATOM 153 C SER A 11 0.234 11.196 11.578 1.00 0.00 C ATOM 154 O SER A 11 1.413 11.484 11.593 1.00 0.00 O ATOM 155 CB SER A 11 0.496 10.546 13.976 1.00 0.00 C ATOM 156 OG SER A 11 -0.160 10.586 15.236 1.00 0.00 O ATOM 0 H SER A 11 -1.261 9.203 11.742 1.00 0.00 H new ATOM 0 HA SER A 11 -1.132 11.702 13.166 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.940 9.564 13.816 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.310 11.271 13.954 1.00 0.00 H new ATOM 0 HG SER A 11 -1.128 10.646 15.099 1.00 0.00 H new ATOM 162 N HIS A 12 -0.440 11.165 10.461 1.00 0.00 N ATOM 163 CA HIS A 12 0.228 11.483 9.176 1.00 0.00 C ATOM 164 C HIS A 12 -0.832 11.927 8.168 1.00 0.00 C ATOM 165 O HIS A 12 -1.940 11.429 8.164 1.00 0.00 O ATOM 166 CB HIS A 12 0.934 10.232 8.650 1.00 0.00 C ATOM 167 CG HIS A 12 1.921 9.738 9.672 1.00 0.00 C ATOM 168 ND1 HIS A 12 3.174 10.307 9.825 1.00 0.00 N ATOM 169 CD2 HIS A 12 1.853 8.726 10.597 1.00 0.00 C ATOM 170 CE1 HIS A 12 3.805 9.641 10.809 1.00 0.00 C ATOM 171 NE2 HIS A 12 3.045 8.666 11.314 1.00 0.00 N ATOM 0 H HIS A 12 -1.430 10.931 10.387 1.00 0.00 H new ATOM 0 HA HIS A 12 0.959 12.278 9.322 1.00 0.00 H new ATOM 0 HB2 HIS A 12 0.202 9.454 8.432 1.00 0.00 H new ATOM 0 HB3 HIS A 12 1.447 10.458 7.715 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.004 8.075 10.746 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.805 9.867 11.149 1.00 0.00 H new ATOM 0 HE2 HIS A 12 3.286 8.017 12.063 1.00 0.00 H new ATOM 179 N CYS A 13 -0.505 12.846 7.306 1.00 0.00 N ATOM 180 CA CYS A 13 -1.501 13.297 6.298 1.00 0.00 C ATOM 181 C CYS A 13 -1.432 12.342 5.111 1.00 0.00 C ATOM 182 O CYS A 13 -0.376 12.105 4.560 1.00 0.00 O ATOM 183 CB CYS A 13 -1.165 14.714 5.832 1.00 0.00 C ATOM 184 SG CYS A 13 -1.574 15.903 7.136 1.00 0.00 S ATOM 0 H CYS A 13 0.405 13.303 7.256 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.501 13.300 6.732 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.106 14.783 5.583 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.721 14.950 4.925 1.00 0.00 H new ATOM 0 HG CYS A 13 -1.284 17.105 6.734 1.00 0.00 H new ATOM 189 N TYR A 14 -2.541 11.775 4.721 1.00 0.00 N ATOM 190 CA TYR A 14 -2.519 10.819 3.582 1.00 0.00 C ATOM 191 C TYR A 14 -2.971 11.525 2.304 1.00 0.00 C ATOM 192 O TYR A 14 -3.944 12.249 2.300 1.00 0.00 O ATOM 193 CB TYR A 14 -3.458 9.646 3.883 1.00 0.00 C ATOM 194 CG TYR A 14 -2.937 8.865 5.069 1.00 0.00 C ATOM 195 CD1 TYR A 14 -2.927 9.446 6.346 1.00 0.00 C ATOM 196 CD2 TYR A 14 -2.464 7.557 4.897 1.00 0.00 C ATOM 197 CE1 TYR A 14 -2.448 8.721 7.443 1.00 0.00 C ATOM 198 CE2 TYR A 14 -1.986 6.834 5.996 1.00 0.00 C ATOM 199 CZ TYR A 14 -1.977 7.415 7.268 1.00 0.00 C ATOM 200 OH TYR A 14 -1.507 6.702 8.351 1.00 0.00 O ATOM 0 H TYR A 14 -3.457 11.933 5.141 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.504 10.446 3.443 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.462 10.016 4.092 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.533 8.995 3.012 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.289 10.454 6.483 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.468 7.106 3.915 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.442 9.170 8.425 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.623 5.826 5.861 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.858 7.246 8.844 1.00 0.00 H new ATOM 210 N ALA A 15 -2.269 11.318 1.221 1.00 0.00 N ATOM 211 CA ALA A 15 -2.653 11.976 -0.063 1.00 0.00 C ATOM 212 C ALA A 15 -2.631 10.942 -1.190 1.00 0.00 C ATOM 213 O ALA A 15 -1.768 10.089 -1.248 1.00 0.00 O ATOM 214 CB ALA A 15 -1.659 13.097 -0.379 1.00 0.00 C ATOM 0 H ALA A 15 -1.444 10.720 1.170 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.655 12.395 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.939 13.578 -1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.673 13.833 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.656 12.679 -0.471 1.00 0.00 H new ATOM 220 N LEU A 16 -3.580 11.011 -2.084 1.00 0.00 N ATOM 221 CA LEU A 16 -3.633 10.034 -3.210 1.00 0.00 C ATOM 222 C LEU A 16 -3.100 10.694 -4.487 1.00 0.00 C ATOM 223 O LEU A 16 -3.470 11.800 -4.827 1.00 0.00 O ATOM 224 CB LEU A 16 -5.089 9.597 -3.418 1.00 0.00 C ATOM 225 CG LEU A 16 -5.248 8.878 -4.762 1.00 0.00 C ATOM 226 CD1 LEU A 16 -4.343 7.641 -4.802 1.00 0.00 C ATOM 227 CD2 LEU A 16 -6.704 8.445 -4.935 1.00 0.00 C ATOM 0 H LEU A 16 -4.326 11.707 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.018 9.164 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.396 8.936 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.744 10.467 -3.385 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.966 9.556 -5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.461 7.135 -5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.304 7.946 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.620 6.961 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.820 7.933 -5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.981 7.770 -4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.350 9.323 -4.913 1.00 0.00 H new ATOM 239 N PHE A 17 -2.252 10.008 -5.208 1.00 0.00 N ATOM 240 CA PHE A 17 -1.704 10.562 -6.472 1.00 0.00 C ATOM 241 C PHE A 17 -2.009 9.563 -7.585 1.00 0.00 C ATOM 242 O PHE A 17 -1.541 8.441 -7.572 1.00 0.00 O ATOM 243 CB PHE A 17 -0.190 10.746 -6.343 1.00 0.00 C ATOM 244 CG PHE A 17 0.099 11.986 -5.533 1.00 0.00 C ATOM 245 CD1 PHE A 17 0.092 13.243 -6.150 1.00 0.00 C ATOM 246 CD2 PHE A 17 0.375 11.879 -4.164 1.00 0.00 C ATOM 247 CE1 PHE A 17 0.358 14.393 -5.399 1.00 0.00 C ATOM 248 CE2 PHE A 17 0.641 13.031 -3.412 1.00 0.00 C ATOM 249 CZ PHE A 17 0.634 14.287 -4.031 1.00 0.00 C ATOM 0 H PHE A 17 -1.914 9.076 -4.968 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.153 11.531 -6.692 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.253 9.874 -5.863 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.262 10.831 -7.331 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.119 13.325 -7.206 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.383 10.909 -3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.350 15.362 -5.875 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.851 12.950 -2.356 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.842 15.175 -3.452 1.00 0.00 H new ATOM 259 N LEU A 18 -2.791 9.957 -8.546 1.00 0.00 N ATOM 260 CA LEU A 18 -3.125 9.027 -9.653 1.00 0.00 C ATOM 261 C LEU A 18 -1.887 8.863 -10.512 1.00 0.00 C ATOM 262 O LEU A 18 -1.933 8.341 -11.607 1.00 0.00 O ATOM 263 CB LEU A 18 -4.268 9.601 -10.495 1.00 0.00 C ATOM 264 CG LEU A 18 -5.389 10.103 -9.577 1.00 0.00 C ATOM 265 CD1 LEU A 18 -6.659 10.325 -10.401 1.00 0.00 C ATOM 266 CD2 LEU A 18 -5.670 9.067 -8.485 1.00 0.00 C ATOM 0 H LEU A 18 -3.213 10.883 -8.612 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.443 8.064 -9.254 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.900 10.418 -11.115 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.653 8.837 -11.170 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.081 11.040 -9.114 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.457 10.682 -9.750 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.465 11.066 -11.177 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.961 9.386 -10.864 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.467 9.429 -7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.976 8.127 -8.945 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.767 8.906 -7.895 1.00 0.00 H new ATOM 278 N SER A 19 -0.769 9.313 -10.015 1.00 0.00 N ATOM 279 CA SER A 19 0.486 9.186 -10.807 1.00 0.00 C ATOM 280 C SER A 19 1.171 7.850 -10.476 1.00 0.00 C ATOM 281 O SER A 19 1.490 7.586 -9.335 1.00 0.00 O ATOM 282 CB SER A 19 1.437 10.337 -10.478 1.00 0.00 C ATOM 283 OG SER A 19 0.800 11.235 -9.579 1.00 0.00 O ATOM 0 H SER A 19 -0.670 9.759 -9.103 1.00 0.00 H new ATOM 0 HA SER A 19 0.238 9.220 -11.868 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.354 9.950 -10.034 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.722 10.860 -11.391 1.00 0.00 H new ATOM 0 HG SER A 19 1.410 11.972 -9.366 1.00 0.00 H new ATOM 289 N PRO A 20 1.402 7.016 -11.462 1.00 0.00 N ATOM 290 CA PRO A 20 2.070 5.707 -11.221 1.00 0.00 C ATOM 291 C PRO A 20 3.499 5.882 -10.690 1.00 0.00 C ATOM 292 O PRO A 20 4.163 6.852 -10.995 1.00 0.00 O ATOM 293 CB PRO A 20 2.091 5.079 -12.617 1.00 0.00 C ATOM 294 CG PRO A 20 1.457 6.061 -13.616 1.00 0.00 C ATOM 295 CD PRO A 20 1.017 7.315 -12.866 1.00 0.00 C ATOM 0 HA PRO A 20 1.558 5.106 -10.470 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.115 4.850 -12.912 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.542 4.137 -12.615 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.173 6.320 -14.396 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.603 5.598 -14.109 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.519 8.207 -13.241 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.055 7.488 -12.963 1.00 0.00 H new ATOM 303 N LYS A 21 3.987 4.952 -9.910 1.00 0.00 N ATOM 304 CA LYS A 21 5.379 5.090 -9.386 1.00 0.00 C ATOM 305 C LYS A 21 5.901 3.732 -8.908 1.00 0.00 C ATOM 306 O LYS A 21 5.252 3.038 -8.157 1.00 0.00 O ATOM 307 CB LYS A 21 5.393 6.082 -8.217 1.00 0.00 C ATOM 308 CG LYS A 21 5.349 7.524 -8.741 1.00 0.00 C ATOM 309 CD LYS A 21 5.924 8.470 -7.681 1.00 0.00 C ATOM 310 CE LYS A 21 5.856 9.910 -8.192 1.00 0.00 C ATOM 311 NZ LYS A 21 6.870 10.104 -9.268 1.00 0.00 N ATOM 0 H LYS A 21 3.489 4.112 -9.616 1.00 0.00 H new ATOM 0 HA LYS A 21 6.022 5.457 -10.186 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.539 5.899 -7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.290 5.934 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.922 7.604 -9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.323 7.805 -8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.363 8.376 -6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.956 8.200 -7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.858 10.125 -8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.040 10.607 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.993 11.121 -9.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.777 9.694 -8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.548 9.633 -10.137 1.00 0.00 H new ATOM 325 N SER A 22 7.075 3.351 -9.339 1.00 0.00 N ATOM 326 CA SER A 22 7.638 2.041 -8.907 1.00 0.00 C ATOM 327 C SER A 22 7.530 1.921 -7.385 1.00 0.00 C ATOM 328 O SER A 22 7.776 2.865 -6.663 1.00 0.00 O ATOM 329 CB SER A 22 9.106 1.958 -9.325 1.00 0.00 C ATOM 330 OG SER A 22 9.238 2.413 -10.666 1.00 0.00 O ATOM 0 H SER A 22 7.667 3.891 -9.971 1.00 0.00 H new ATOM 0 HA SER A 22 7.081 1.229 -9.376 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.720 2.565 -8.660 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.463 0.932 -9.240 1.00 0.00 H new ATOM 0 HG SER A 22 9.731 3.260 -10.677 1.00 0.00 H new ATOM 336 N TRP A 23 7.168 0.769 -6.885 1.00 0.00 N ATOM 337 CA TRP A 23 7.052 0.605 -5.406 1.00 0.00 C ATOM 338 C TRP A 23 8.303 1.176 -4.744 1.00 0.00 C ATOM 339 O TRP A 23 8.288 1.587 -3.604 1.00 0.00 O ATOM 340 CB TRP A 23 6.945 -0.882 -5.059 1.00 0.00 C ATOM 341 CG TRP A 23 6.658 -1.037 -3.601 1.00 0.00 C ATOM 342 CD1 TRP A 23 5.446 -0.873 -3.025 1.00 0.00 C ATOM 343 CD2 TRP A 23 7.581 -1.379 -2.526 1.00 0.00 C ATOM 344 NE1 TRP A 23 5.564 -1.096 -1.665 1.00 0.00 N ATOM 345 CE2 TRP A 23 6.860 -1.410 -1.309 1.00 0.00 C ATOM 346 CE3 TRP A 23 8.957 -1.665 -2.489 1.00 0.00 C ATOM 347 CZ2 TRP A 23 7.484 -1.714 -0.097 1.00 0.00 C ATOM 348 CZ3 TRP A 23 9.587 -1.970 -1.272 1.00 0.00 C ATOM 349 CH2 TRP A 23 8.854 -1.994 -0.079 1.00 0.00 C ATOM 0 H TRP A 23 6.948 -0.062 -7.434 1.00 0.00 H new ATOM 0 HA TRP A 23 6.164 1.128 -5.051 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.154 -1.347 -5.647 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.874 -1.393 -5.313 1.00 0.00 H new ATOM 0 HD1 TRP A 23 4.535 -0.611 -3.542 1.00 0.00 H new ATOM 0 HE1 TRP A 23 4.788 -1.036 -1.006 1.00 0.00 H new ATOM 0 HE3 TRP A 23 9.533 -1.650 -3.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.913 -1.733 0.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 10.645 -2.188 -1.256 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.346 -2.228 0.853 1.00 0.00 H new ATOM 360 N THR A 24 9.385 1.195 -5.464 1.00 0.00 N ATOM 361 CA THR A 24 10.659 1.725 -4.908 1.00 0.00 C ATOM 362 C THR A 24 10.759 3.219 -5.212 1.00 0.00 C ATOM 363 O THR A 24 11.516 3.946 -4.599 1.00 0.00 O ATOM 364 CB THR A 24 11.825 0.978 -5.552 1.00 0.00 C ATOM 365 OG1 THR A 24 13.035 1.323 -4.893 1.00 0.00 O ATOM 366 CG2 THR A 24 11.923 1.341 -7.035 1.00 0.00 C ATOM 0 H THR A 24 9.443 0.862 -6.426 1.00 0.00 H new ATOM 0 HA THR A 24 10.689 1.581 -3.828 1.00 0.00 H new ATOM 0 HB THR A 24 11.656 -0.095 -5.459 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.782 0.842 -5.307 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.757 0.804 -7.487 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.997 1.064 -7.539 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.085 2.414 -7.137 1.00 0.00 H new ATOM 374 N ASP A 25 9.999 3.670 -6.165 1.00 0.00 N ATOM 375 CA ASP A 25 10.029 5.114 -6.540 1.00 0.00 C ATOM 376 C ASP A 25 9.054 5.878 -5.651 1.00 0.00 C ATOM 377 O ASP A 25 9.338 6.968 -5.198 1.00 0.00 O ATOM 378 CB ASP A 25 9.622 5.279 -8.006 1.00 0.00 C ATOM 379 CG ASP A 25 10.796 4.899 -8.910 1.00 0.00 C ATOM 380 OD1 ASP A 25 11.766 4.368 -8.396 1.00 0.00 O ATOM 381 OD2 ASP A 25 10.706 5.148 -10.101 1.00 0.00 O ATOM 0 H ASP A 25 9.351 3.098 -6.707 1.00 0.00 H new ATOM 0 HA ASP A 25 11.038 5.505 -6.405 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.760 4.649 -8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.321 6.309 -8.197 1.00 0.00 H new ATOM 386 N ALA A 26 7.915 5.308 -5.374 1.00 0.00 N ATOM 387 CA ALA A 26 6.950 5.994 -4.494 1.00 0.00 C ATOM 388 C ALA A 26 7.481 5.867 -3.075 1.00 0.00 C ATOM 389 O ALA A 26 7.297 6.728 -2.242 1.00 0.00 O ATOM 390 CB ALA A 26 5.588 5.322 -4.617 1.00 0.00 C ATOM 0 H ALA A 26 7.617 4.397 -5.722 1.00 0.00 H new ATOM 0 HA ALA A 26 6.834 7.043 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.873 5.827 -3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.245 5.381 -5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.670 4.276 -4.322 1.00 0.00 H new ATOM 396 N ASP A 27 8.161 4.787 -2.810 1.00 0.00 N ATOM 397 CA ASP A 27 8.741 4.574 -1.463 1.00 0.00 C ATOM 398 C ASP A 27 9.768 5.671 -1.175 1.00 0.00 C ATOM 399 O ASP A 27 9.828 6.207 -0.088 1.00 0.00 O ATOM 400 CB ASP A 27 9.427 3.212 -1.447 1.00 0.00 C ATOM 401 CG ASP A 27 10.179 3.027 -0.128 1.00 0.00 C ATOM 402 OD1 ASP A 27 9.556 2.596 0.831 1.00 0.00 O ATOM 403 OD2 ASP A 27 11.363 3.317 -0.097 1.00 0.00 O ATOM 0 H ASP A 27 8.339 4.038 -3.479 1.00 0.00 H new ATOM 0 HA ASP A 27 7.960 4.609 -0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.688 2.421 -1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.119 3.133 -2.285 1.00 0.00 H new ATOM 408 N LEU A 28 10.579 6.004 -2.141 1.00 0.00 N ATOM 409 CA LEU A 28 11.606 7.062 -1.926 1.00 0.00 C ATOM 410 C LEU A 28 10.929 8.436 -1.878 1.00 0.00 C ATOM 411 O LEU A 28 11.187 9.238 -1.003 1.00 0.00 O ATOM 412 CB LEU A 28 12.619 7.024 -3.080 1.00 0.00 C ATOM 413 CG LEU A 28 13.997 7.507 -2.603 1.00 0.00 C ATOM 414 CD1 LEU A 28 13.862 8.882 -1.943 1.00 0.00 C ATOM 415 CD2 LEU A 28 14.588 6.507 -1.596 1.00 0.00 C ATOM 0 H LEU A 28 10.575 5.588 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 28 12.121 6.885 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.698 6.009 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.270 7.653 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 28 14.663 7.581 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.841 9.221 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.460 9.594 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.189 8.811 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.565 6.859 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.923 6.420 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.696 5.532 -2.072 1.00 0.00 H new ATOM 427 N ALA A 29 10.069 8.717 -2.818 1.00 0.00 N ATOM 428 CA ALA A 29 9.385 10.043 -2.830 1.00 0.00 C ATOM 429 C ALA A 29 8.529 10.203 -1.573 1.00 0.00 C ATOM 430 O ALA A 29 8.661 11.167 -0.845 1.00 0.00 O ATOM 431 CB ALA A 29 8.491 10.144 -4.064 1.00 0.00 C ATOM 0 H ALA A 29 9.810 8.087 -3.578 1.00 0.00 H new ATOM 0 HA ALA A 29 10.138 10.830 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.991 11.113 -4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.099 10.041 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.744 9.351 -4.038 1.00 0.00 H new ATOM 437 N CYS A 30 7.651 9.275 -1.301 1.00 0.00 N ATOM 438 CA CYS A 30 6.811 9.404 -0.085 1.00 0.00 C ATOM 439 C CYS A 30 7.727 9.413 1.136 1.00 0.00 C ATOM 440 O CYS A 30 7.369 9.891 2.193 1.00 0.00 O ATOM 441 CB CYS A 30 5.830 8.234 -0.007 1.00 0.00 C ATOM 442 SG CYS A 30 4.665 8.516 1.350 1.00 0.00 S ATOM 0 H CYS A 30 7.483 8.442 -1.865 1.00 0.00 H new ATOM 0 HA CYS A 30 6.237 10.330 -0.119 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.291 8.134 -0.949 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.371 7.301 0.151 1.00 0.00 H new ATOM 447 N GLN A 31 8.923 8.908 0.989 1.00 0.00 N ATOM 448 CA GLN A 31 9.875 8.915 2.133 1.00 0.00 C ATOM 449 C GLN A 31 10.513 10.297 2.205 1.00 0.00 C ATOM 450 O GLN A 31 10.852 10.787 3.264 1.00 0.00 O ATOM 451 CB GLN A 31 10.959 7.855 1.916 1.00 0.00 C ATOM 452 CG GLN A 31 12.062 8.028 2.963 1.00 0.00 C ATOM 453 CD GLN A 31 12.957 6.788 2.972 1.00 0.00 C ATOM 454 OE1 GLN A 31 12.835 5.929 2.121 1.00 0.00 O ATOM 455 NE2 GLN A 31 13.858 6.655 3.907 1.00 0.00 N ATOM 0 H GLN A 31 9.279 8.493 0.128 1.00 0.00 H new ATOM 0 HA GLN A 31 9.351 8.689 3.062 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.526 6.857 1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.377 7.948 0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.654 8.915 2.739 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.622 8.179 3.949 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.961 7.375 4.622 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.459 5.831 3.923 1.00 0.00 H new ATOM 464 N LYS A 32 10.668 10.935 1.077 1.00 0.00 N ATOM 465 CA LYS A 32 11.269 12.289 1.062 1.00 0.00 C ATOM 466 C LYS A 32 10.347 13.245 1.824 1.00 0.00 C ATOM 467 O LYS A 32 10.665 14.398 2.039 1.00 0.00 O ATOM 468 CB LYS A 32 11.423 12.756 -0.389 1.00 0.00 C ATOM 469 CG LYS A 32 11.800 14.241 -0.417 1.00 0.00 C ATOM 470 CD LYS A 32 12.423 14.597 -1.770 1.00 0.00 C ATOM 471 CE LYS A 32 11.345 14.575 -2.855 1.00 0.00 C ATOM 472 NZ LYS A 32 10.228 15.484 -2.466 1.00 0.00 N ATOM 0 H LYS A 32 10.401 10.570 0.163 1.00 0.00 H new ATOM 0 HA LYS A 32 12.250 12.273 1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.190 12.167 -0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.492 12.597 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.915 14.853 -0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.503 14.461 0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.883 15.584 -1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.214 13.888 -2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.768 14.889 -3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.971 13.560 -2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.836 15.936 -3.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.483 14.935 -1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.585 16.215 -1.818 1.00 0.00 H new ATOM 486 N ARG A 33 9.203 12.764 2.233 1.00 0.00 N ATOM 487 CA ARG A 33 8.243 13.626 2.982 1.00 0.00 C ATOM 488 C ARG A 33 8.552 13.541 4.478 1.00 0.00 C ATOM 489 O ARG A 33 9.190 12.609 4.926 1.00 0.00 O ATOM 490 CB ARG A 33 6.816 13.132 2.705 1.00 0.00 C ATOM 491 CG ARG A 33 6.208 13.922 1.541 1.00 0.00 C ATOM 492 CD ARG A 33 4.978 13.183 1.003 1.00 0.00 C ATOM 493 NE ARG A 33 4.096 14.148 0.283 1.00 0.00 N ATOM 494 CZ ARG A 33 4.113 14.204 -1.022 1.00 0.00 C ATOM 495 NH1 ARG A 33 3.794 13.152 -1.725 1.00 0.00 N ATOM 496 NH2 ARG A 33 4.447 15.313 -1.623 1.00 0.00 N ATOM 0 H ARG A 33 8.891 11.805 2.079 1.00 0.00 H new ATOM 0 HA ARG A 33 8.334 14.664 2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.830 12.069 2.466 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.201 13.251 3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.927 14.921 1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.946 14.046 0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.286 12.383 0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.432 12.717 1.823 1.00 0.00 H new ATOM 0 HE ARG A 33 3.479 14.765 0.811 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.531 12.285 -1.256 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.807 13.196 -2.744 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.695 16.136 -1.074 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.460 15.357 -2.642 1.00 0.00 H new ATOM 510 N PRO A 34 8.101 14.502 5.252 1.00 0.00 N ATOM 511 CA PRO A 34 8.354 14.489 6.715 1.00 0.00 C ATOM 512 C PRO A 34 8.060 13.116 7.322 1.00 0.00 C ATOM 513 O PRO A 34 6.991 12.861 7.837 1.00 0.00 O ATOM 514 CB PRO A 34 7.387 15.570 7.226 1.00 0.00 C ATOM 515 CG PRO A 34 6.643 16.168 6.020 1.00 0.00 C ATOM 516 CD PRO A 34 7.311 15.651 4.741 1.00 0.00 C ATOM 0 HA PRO A 34 9.392 14.684 6.983 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.678 15.140 7.934 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.935 16.348 7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.591 15.882 6.042 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.678 17.257 6.054 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.580 15.344 3.994 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.944 16.407 4.276 1.00 0.00 H new ATOM 524 N SER A 35 9.009 12.228 7.240 1.00 0.00 N ATOM 525 CA SER A 35 8.805 10.862 7.783 1.00 0.00 C ATOM 526 C SER A 35 7.711 10.166 6.979 1.00 0.00 C ATOM 527 O SER A 35 7.174 9.155 7.384 1.00 0.00 O ATOM 528 CB SER A 35 8.398 10.944 9.257 1.00 0.00 C ATOM 529 OG SER A 35 8.757 9.732 9.910 1.00 0.00 O ATOM 0 H SER A 35 9.922 12.393 6.817 1.00 0.00 H new ATOM 0 HA SER A 35 9.732 10.294 7.707 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.892 11.789 9.736 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.324 11.112 9.341 1.00 0.00 H new ATOM 0 HG SER A 35 8.398 8.971 9.408 1.00 0.00 H new ATOM 535 N GLY A 36 7.374 10.702 5.837 1.00 0.00 N ATOM 536 CA GLY A 36 6.314 10.066 5.011 1.00 0.00 C ATOM 537 C GLY A 36 6.805 8.724 4.464 1.00 0.00 C ATOM 538 O GLY A 36 7.896 8.282 4.764 1.00 0.00 O ATOM 0 H GLY A 36 7.786 11.548 5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.416 9.916 5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.040 10.725 4.187 1.00 0.00 H new ATOM 542 N ASN A 37 6.000 8.073 3.666 1.00 0.00 N ATOM 543 CA ASN A 37 6.387 6.750 3.086 1.00 0.00 C ATOM 544 C ASN A 37 5.120 6.057 2.577 1.00 0.00 C ATOM 545 O ASN A 37 4.067 6.176 3.178 1.00 0.00 O ATOM 546 CB ASN A 37 7.044 5.877 4.167 1.00 0.00 C ATOM 547 CG ASN A 37 8.565 5.867 3.981 1.00 0.00 C ATOM 548 OD1 ASN A 37 9.291 6.430 4.776 1.00 0.00 O ATOM 549 ND2 ASN A 37 9.079 5.240 2.959 1.00 0.00 N ATOM 0 H ASN A 37 5.077 8.406 3.387 1.00 0.00 H new ATOM 0 HA ASN A 37 7.095 6.896 2.270 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.793 6.259 5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.656 4.860 4.110 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.090 5.222 2.827 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.470 4.767 2.292 1.00 0.00 H new ATOM 556 N LEU A 38 5.202 5.349 1.474 1.00 0.00 N ATOM 557 CA LEU A 38 3.995 4.653 0.931 1.00 0.00 C ATOM 558 C LEU A 38 2.979 4.402 2.054 1.00 0.00 C ATOM 559 O LEU A 38 3.320 3.941 3.126 1.00 0.00 O ATOM 560 CB LEU A 38 4.424 3.324 0.312 1.00 0.00 C ATOM 561 CG LEU A 38 5.100 3.588 -1.032 1.00 0.00 C ATOM 562 CD1 LEU A 38 5.849 2.334 -1.491 1.00 0.00 C ATOM 563 CD2 LEU A 38 4.044 3.973 -2.073 1.00 0.00 C ATOM 0 H LEU A 38 6.054 5.224 0.928 1.00 0.00 H new ATOM 0 HA LEU A 38 3.526 5.279 0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.109 2.803 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.558 2.677 0.175 1.00 0.00 H new ATOM 0 HG LEU A 38 5.811 4.407 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.329 2.528 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.606 2.072 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.145 1.509 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.529 4.161 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.327 3.159 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.523 4.873 -1.747 1.00 0.00 H new ATOM 575 N VAL A 39 1.739 4.728 1.814 1.00 0.00 N ATOM 576 CA VAL A 39 0.678 4.548 2.852 1.00 0.00 C ATOM 577 C VAL A 39 0.904 3.272 3.669 1.00 0.00 C ATOM 578 O VAL A 39 1.441 2.293 3.190 1.00 0.00 O ATOM 579 CB VAL A 39 -0.684 4.472 2.161 1.00 0.00 C ATOM 580 CG1 VAL A 39 -0.589 3.542 0.950 1.00 0.00 C ATOM 581 CG2 VAL A 39 -1.736 3.929 3.134 1.00 0.00 C ATOM 0 H VAL A 39 1.409 5.117 0.931 1.00 0.00 H new ATOM 0 HA VAL A 39 0.715 5.397 3.535 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.976 5.471 1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.559 3.487 0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.152 3.929 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.292 2.546 1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.703 3.878 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.446 2.932 3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.809 4.590 3.997 1.00 0.00 H new ATOM 591 N SER A 40 0.475 3.292 4.905 1.00 0.00 N ATOM 592 CA SER A 40 0.629 2.099 5.794 1.00 0.00 C ATOM 593 C SER A 40 -0.759 1.519 6.107 1.00 0.00 C ATOM 594 O SER A 40 -1.770 2.121 5.804 1.00 0.00 O ATOM 595 CB SER A 40 1.306 2.528 7.095 1.00 0.00 C ATOM 596 OG SER A 40 0.845 3.823 7.458 1.00 0.00 O ATOM 0 H SER A 40 0.019 4.093 5.342 1.00 0.00 H new ATOM 0 HA SER A 40 1.237 1.343 5.297 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.082 1.814 7.888 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.389 2.536 6.970 1.00 0.00 H new ATOM 0 HG SER A 40 0.188 3.746 8.181 1.00 0.00 H new ATOM 602 N VAL A 41 -0.821 0.353 6.709 1.00 0.00 N ATOM 603 CA VAL A 41 -2.152 -0.252 7.030 1.00 0.00 C ATOM 604 C VAL A 41 -2.025 -1.167 8.261 1.00 0.00 C ATOM 605 O VAL A 41 -1.788 -2.353 8.138 1.00 0.00 O ATOM 606 CB VAL A 41 -2.648 -1.076 5.823 1.00 0.00 C ATOM 607 CG1 VAL A 41 -4.175 -1.024 5.748 1.00 0.00 C ATOM 608 CG2 VAL A 41 -2.066 -0.512 4.519 1.00 0.00 C ATOM 0 H VAL A 41 -0.012 -0.202 6.990 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.866 0.543 7.246 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.320 -2.107 5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.517 -1.608 4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.599 -1.438 6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.499 0.011 5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.424 -1.102 3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.383 0.524 4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.978 -0.556 4.557 1.00 0.00 H new ATOM 618 N LEU A 42 -2.176 -0.628 9.447 1.00 0.00 N ATOM 619 CA LEU A 42 -2.059 -1.470 10.683 1.00 0.00 C ATOM 620 C LEU A 42 -3.400 -1.543 11.421 1.00 0.00 C ATOM 621 O LEU A 42 -3.456 -1.960 12.561 1.00 0.00 O ATOM 622 CB LEU A 42 -1.021 -0.860 11.626 1.00 0.00 C ATOM 623 CG LEU A 42 0.385 -1.089 11.073 1.00 0.00 C ATOM 624 CD1 LEU A 42 1.394 -0.344 11.951 1.00 0.00 C ATOM 625 CD2 LEU A 42 0.713 -2.589 11.083 1.00 0.00 C ATOM 0 H LEU A 42 -2.375 0.358 9.614 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.757 -2.473 10.381 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.206 0.208 11.742 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.109 -1.308 12.616 1.00 0.00 H new ATOM 0 HG LEU A 42 0.437 -0.719 10.049 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.400 -0.502 11.563 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.166 0.722 11.944 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.335 -0.720 12.972 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.717 -2.745 10.687 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.663 -2.966 12.105 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.008 -3.123 10.464 1.00 0.00 H new ATOM 637 N SER A 43 -4.477 -1.141 10.803 1.00 0.00 N ATOM 638 CA SER A 43 -5.793 -1.195 11.512 1.00 0.00 C ATOM 639 C SER A 43 -6.894 -1.647 10.553 1.00 0.00 C ATOM 640 O SER A 43 -6.858 -1.368 9.370 1.00 0.00 O ATOM 641 CB SER A 43 -6.133 0.194 12.055 1.00 0.00 C ATOM 642 OG SER A 43 -7.177 0.080 13.013 1.00 0.00 O ATOM 0 H SER A 43 -4.507 -0.781 9.849 1.00 0.00 H new ATOM 0 HA SER A 43 -5.724 -1.908 12.333 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.252 0.644 12.512 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.441 0.850 11.241 1.00 0.00 H new ATOM 0 HG SER A 43 -7.397 0.968 13.365 1.00 0.00 H new ATOM 648 N GLY A 44 -7.880 -2.337 11.061 1.00 0.00 N ATOM 649 CA GLY A 44 -8.994 -2.801 10.190 1.00 0.00 C ATOM 650 C GLY A 44 -9.746 -1.583 9.656 1.00 0.00 C ATOM 651 O GLY A 44 -10.407 -1.644 8.639 1.00 0.00 O ATOM 0 H GLY A 44 -7.960 -2.599 12.044 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.604 -3.395 9.364 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.670 -3.444 10.753 1.00 0.00 H new ATOM 655 N ALA A 45 -9.640 -0.474 10.335 1.00 0.00 N ATOM 656 CA ALA A 45 -10.337 0.755 9.869 1.00 0.00 C ATOM 657 C ALA A 45 -9.471 1.439 8.811 1.00 0.00 C ATOM 658 O ALA A 45 -9.968 2.067 7.897 1.00 0.00 O ATOM 659 CB ALA A 45 -10.546 1.704 11.050 1.00 0.00 C ATOM 0 H ALA A 45 -9.100 -0.367 11.194 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.306 0.494 9.444 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.057 2.604 10.708 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.151 1.211 11.811 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.579 1.975 11.475 1.00 0.00 H new ATOM 665 N GLU A 46 -8.177 1.315 8.925 1.00 0.00 N ATOM 666 CA GLU A 46 -7.275 1.948 7.924 1.00 0.00 C ATOM 667 C GLU A 46 -7.364 1.165 6.613 1.00 0.00 C ATOM 668 O GLU A 46 -7.372 1.732 5.541 1.00 0.00 O ATOM 669 CB GLU A 46 -5.835 1.921 8.440 1.00 0.00 C ATOM 670 CG GLU A 46 -5.644 3.026 9.482 1.00 0.00 C ATOM 671 CD GLU A 46 -4.270 2.879 10.138 1.00 0.00 C ATOM 672 OE1 GLU A 46 -4.141 2.046 11.018 1.00 0.00 O ATOM 673 OE2 GLU A 46 -3.369 3.604 9.746 1.00 0.00 O ATOM 0 H GLU A 46 -7.706 0.802 9.670 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.575 2.983 7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.614 0.949 8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.139 2.062 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.730 4.004 9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.427 2.967 10.238 1.00 0.00 H new ATOM 680 N GLY A 47 -7.440 -0.134 6.692 1.00 0.00 N ATOM 681 CA GLY A 47 -7.536 -0.947 5.447 1.00 0.00 C ATOM 682 C GLY A 47 -8.781 -0.522 4.667 1.00 0.00 C ATOM 683 O GLY A 47 -8.788 -0.501 3.452 1.00 0.00 O ATOM 0 H GLY A 47 -7.440 -0.667 7.562 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.644 -0.807 4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.590 -2.007 5.693 1.00 0.00 H new ATOM 687 N SER A 48 -9.833 -0.178 5.359 1.00 0.00 N ATOM 688 CA SER A 48 -11.078 0.251 4.662 1.00 0.00 C ATOM 689 C SER A 48 -10.973 1.735 4.310 1.00 0.00 C ATOM 690 O SER A 48 -11.410 2.166 3.260 1.00 0.00 O ATOM 691 CB SER A 48 -12.279 0.030 5.582 1.00 0.00 C ATOM 692 OG SER A 48 -13.478 0.152 4.828 1.00 0.00 O ATOM 0 H SER A 48 -9.884 -0.176 6.378 1.00 0.00 H new ATOM 0 HA SER A 48 -11.207 -0.333 3.751 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.223 -0.957 6.041 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.270 0.759 6.392 1.00 0.00 H new ATOM 0 HG SER A 48 -14.250 0.009 5.415 1.00 0.00 H new ATOM 698 N PHE A 49 -10.394 2.521 5.176 1.00 0.00 N ATOM 699 CA PHE A 49 -10.260 3.975 4.888 1.00 0.00 C ATOM 700 C PHE A 49 -9.377 4.165 3.652 1.00 0.00 C ATOM 701 O PHE A 49 -9.732 4.867 2.727 1.00 0.00 O ATOM 702 CB PHE A 49 -9.624 4.679 6.090 1.00 0.00 C ATOM 703 CG PHE A 49 -9.905 6.161 6.013 1.00 0.00 C ATOM 704 CD1 PHE A 49 -9.234 6.954 5.074 1.00 0.00 C ATOM 705 CD2 PHE A 49 -10.838 6.743 6.880 1.00 0.00 C ATOM 706 CE1 PHE A 49 -9.496 8.326 5.002 1.00 0.00 C ATOM 707 CE2 PHE A 49 -11.100 8.117 6.808 1.00 0.00 C ATOM 708 CZ PHE A 49 -10.429 8.908 5.868 1.00 0.00 C ATOM 0 H PHE A 49 -10.008 2.218 6.070 1.00 0.00 H new ATOM 0 HA PHE A 49 -11.244 4.404 4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -10.024 4.270 7.018 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.549 4.502 6.101 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -8.514 6.506 4.405 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -11.356 6.132 7.605 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.978 8.937 4.278 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -11.819 8.566 7.477 1.00 0.00 H new ATOM 0 HZ PHE A 49 -10.631 9.967 5.811 1.00 0.00 H new ATOM 718 N VAL A 50 -8.232 3.538 3.626 1.00 0.00 N ATOM 719 CA VAL A 50 -7.337 3.681 2.446 1.00 0.00 C ATOM 720 C VAL A 50 -8.073 3.180 1.204 1.00 0.00 C ATOM 721 O VAL A 50 -7.966 3.747 0.136 1.00 0.00 O ATOM 722 CB VAL A 50 -6.065 2.856 2.652 1.00 0.00 C ATOM 723 CG1 VAL A 50 -5.131 3.050 1.457 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.358 3.318 3.930 1.00 0.00 C ATOM 0 H VAL A 50 -7.880 2.935 4.369 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.063 4.729 2.321 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.328 1.802 2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.225 2.462 1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.632 2.722 0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.869 4.104 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.452 2.730 4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.096 4.372 3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.022 3.180 4.783 1.00 0.00 H new ATOM 734 N SER A 51 -8.825 2.122 1.340 1.00 0.00 N ATOM 735 CA SER A 51 -9.575 1.583 0.171 1.00 0.00 C ATOM 736 C SER A 51 -10.574 2.632 -0.321 1.00 0.00 C ATOM 737 O SER A 51 -10.686 2.888 -1.500 1.00 0.00 O ATOM 738 CB SER A 51 -10.327 0.320 0.588 1.00 0.00 C ATOM 739 OG SER A 51 -11.441 0.132 -0.276 1.00 0.00 O ATOM 0 H SER A 51 -8.952 1.607 2.211 1.00 0.00 H new ATOM 0 HA SER A 51 -8.876 1.343 -0.630 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.665 -0.544 0.540 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.663 0.407 1.621 1.00 0.00 H new ATOM 0 HG SER A 51 -11.481 -0.805 -0.560 1.00 0.00 H new ATOM 745 N SER A 52 -11.302 3.240 0.575 1.00 0.00 N ATOM 746 CA SER A 52 -12.296 4.270 0.158 1.00 0.00 C ATOM 747 C SER A 52 -11.564 5.510 -0.361 1.00 0.00 C ATOM 748 O SER A 52 -12.102 6.288 -1.125 1.00 0.00 O ATOM 749 CB SER A 52 -13.163 4.657 1.357 1.00 0.00 C ATOM 750 OG SER A 52 -12.454 5.578 2.173 1.00 0.00 O ATOM 0 H SER A 52 -11.252 3.068 1.579 1.00 0.00 H new ATOM 0 HA SER A 52 -12.927 3.864 -0.633 1.00 0.00 H new ATOM 0 HB2 SER A 52 -14.098 5.101 1.016 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.424 3.769 1.933 1.00 0.00 H new ATOM 0 HG SER A 52 -11.544 5.248 2.324 1.00 0.00 H new ATOM 756 N LEU A 53 -10.340 5.701 0.048 1.00 0.00 N ATOM 757 CA LEU A 53 -9.571 6.889 -0.418 1.00 0.00 C ATOM 758 C LEU A 53 -9.094 6.644 -1.851 1.00 0.00 C ATOM 759 O LEU A 53 -8.831 7.570 -2.593 1.00 0.00 O ATOM 760 CB LEU A 53 -8.365 7.093 0.517 1.00 0.00 C ATOM 761 CG LEU A 53 -7.252 7.892 -0.179 1.00 0.00 C ATOM 762 CD1 LEU A 53 -7.718 9.330 -0.416 1.00 0.00 C ATOM 763 CD2 LEU A 53 -6.011 7.913 0.717 1.00 0.00 C ATOM 0 H LEU A 53 -9.838 5.084 0.686 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.197 7.781 -0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.684 7.617 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.978 6.124 0.833 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.016 7.423 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.926 9.893 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.607 9.325 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.954 9.798 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.218 8.479 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.258 8.383 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.672 6.892 0.893 1.00 0.00 H new ATOM 775 N VAL A 54 -8.964 5.403 -2.237 1.00 0.00 N ATOM 776 CA VAL A 54 -8.482 5.086 -3.615 1.00 0.00 C ATOM 777 C VAL A 54 -9.530 4.260 -4.369 1.00 0.00 C ATOM 778 O VAL A 54 -9.235 3.636 -5.369 1.00 0.00 O ATOM 779 CB VAL A 54 -7.177 4.294 -3.503 1.00 0.00 C ATOM 780 CG1 VAL A 54 -6.187 5.076 -2.638 1.00 0.00 C ATOM 781 CG2 VAL A 54 -7.450 2.934 -2.850 1.00 0.00 C ATOM 0 H VAL A 54 -9.172 4.591 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.313 6.011 -4.167 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.761 4.140 -4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.255 4.516 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.989 6.045 -3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.611 5.225 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.518 2.374 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.866 3.086 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.160 2.374 -3.459 1.00 0.00 H new ATOM 791 N LYS A 55 -10.749 4.246 -3.901 1.00 0.00 N ATOM 792 CA LYS A 55 -11.806 3.453 -4.599 1.00 0.00 C ATOM 793 C LYS A 55 -12.467 4.306 -5.684 1.00 0.00 C ATOM 794 O LYS A 55 -13.276 3.827 -6.454 1.00 0.00 O ATOM 795 CB LYS A 55 -12.865 3.010 -3.584 1.00 0.00 C ATOM 796 CG LYS A 55 -14.052 2.379 -4.319 1.00 0.00 C ATOM 797 CD LYS A 55 -14.866 1.520 -3.345 1.00 0.00 C ATOM 798 CE LYS A 55 -15.481 2.411 -2.265 1.00 0.00 C ATOM 799 NZ LYS A 55 -16.566 1.665 -1.566 1.00 0.00 N ATOM 0 H LYS A 55 -11.060 4.747 -3.069 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.350 2.577 -5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.435 2.293 -2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.201 3.865 -2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.683 3.158 -4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.695 1.767 -5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.651 0.988 -3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.226 0.766 -2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.716 2.716 -1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.880 3.321 -2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.985 2.270 -0.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.299 1.395 -2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.171 0.809 -1.126 1.00 0.00 H new ATOM 896 N SER A 62 -6.675 -0.501 -11.732 1.00 0.00 N ATOM 897 CA SER A 62 -7.358 -1.575 -10.952 1.00 0.00 C ATOM 898 C SER A 62 -6.498 -1.981 -9.757 1.00 0.00 C ATOM 899 O SER A 62 -6.824 -2.899 -9.038 1.00 0.00 O ATOM 900 CB SER A 62 -7.578 -2.791 -11.852 1.00 0.00 C ATOM 901 OG SER A 62 -7.775 -3.943 -11.045 1.00 0.00 O ATOM 0 HA SER A 62 -8.317 -1.201 -10.592 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.444 -2.630 -12.494 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.718 -2.934 -12.506 1.00 0.00 H new ATOM 0 HG SER A 62 -6.952 -4.141 -10.551 1.00 0.00 H new ATOM 907 N TYR A 63 -5.401 -1.313 -9.535 1.00 0.00 N ATOM 908 CA TYR A 63 -4.537 -1.680 -8.369 1.00 0.00 C ATOM 909 C TYR A 63 -3.842 -0.424 -7.833 1.00 0.00 C ATOM 910 O TYR A 63 -3.825 0.610 -8.471 1.00 0.00 O ATOM 911 CB TYR A 63 -3.481 -2.700 -8.805 1.00 0.00 C ATOM 912 CG TYR A 63 -4.053 -4.096 -8.731 1.00 0.00 C ATOM 913 CD1 TYR A 63 -4.909 -4.558 -9.738 1.00 0.00 C ATOM 914 CD2 TYR A 63 -3.728 -4.930 -7.654 1.00 0.00 C ATOM 915 CE1 TYR A 63 -5.440 -5.851 -9.665 1.00 0.00 C ATOM 916 CE2 TYR A 63 -4.258 -6.221 -7.584 1.00 0.00 C ATOM 917 CZ TYR A 63 -5.114 -6.682 -8.589 1.00 0.00 C ATOM 918 OH TYR A 63 -5.638 -7.958 -8.519 1.00 0.00 O ATOM 0 H TYR A 63 -5.064 -0.535 -10.102 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.157 -2.117 -7.587 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.154 -2.485 -9.822 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.602 -2.623 -8.164 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.159 -3.917 -10.570 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.067 -4.575 -6.877 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.102 -6.207 -10.440 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.006 -6.863 -6.753 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.126 -8.555 -9.104 1.00 0.00 H new ATOM 928 N VAL A 64 -3.277 -0.504 -6.657 1.00 0.00 N ATOM 929 CA VAL A 64 -2.590 0.687 -6.067 1.00 0.00 C ATOM 930 C VAL A 64 -1.356 0.225 -5.278 1.00 0.00 C ATOM 931 O VAL A 64 -1.323 -0.864 -4.747 1.00 0.00 O ATOM 932 CB VAL A 64 -3.582 1.401 -5.139 1.00 0.00 C ATOM 933 CG1 VAL A 64 -2.950 2.650 -4.528 1.00 0.00 C ATOM 934 CG2 VAL A 64 -4.823 1.800 -5.940 1.00 0.00 C ATOM 0 H VAL A 64 -3.261 -1.343 -6.077 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.263 1.370 -6.851 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.858 0.722 -4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.671 3.140 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.070 2.367 -3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.657 3.336 -5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.531 2.308 -5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.534 2.469 -6.750 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.290 0.907 -6.356 1.00 0.00 H new ATOM 944 N TRP A 65 -0.336 1.040 -5.202 1.00 0.00 N ATOM 945 CA TRP A 65 0.894 0.634 -4.453 1.00 0.00 C ATOM 946 C TRP A 65 0.765 1.046 -2.981 1.00 0.00 C ATOM 947 O TRP A 65 0.204 2.076 -2.664 1.00 0.00 O ATOM 948 CB TRP A 65 2.115 1.369 -5.028 1.00 0.00 C ATOM 949 CG TRP A 65 2.929 0.522 -5.963 1.00 0.00 C ATOM 950 CD1 TRP A 65 3.562 1.022 -7.047 1.00 0.00 C ATOM 951 CD2 TRP A 65 3.244 -0.910 -5.933 1.00 0.00 C ATOM 952 NE1 TRP A 65 4.233 0.006 -7.690 1.00 0.00 N ATOM 953 CE2 TRP A 65 4.067 -1.202 -7.051 1.00 0.00 C ATOM 954 CE3 TRP A 65 2.907 -1.976 -5.073 1.00 0.00 C ATOM 955 CZ2 TRP A 65 4.531 -2.487 -7.307 1.00 0.00 C ATOM 956 CZ3 TRP A 65 3.378 -3.275 -5.331 1.00 0.00 C ATOM 957 CH2 TRP A 65 4.186 -3.529 -6.448 1.00 0.00 C ATOM 0 H TRP A 65 -0.300 1.968 -5.625 1.00 0.00 H new ATOM 0 HA TRP A 65 1.012 -0.446 -4.543 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.778 2.261 -5.556 1.00 0.00 H new ATOM 0 HB3 TRP A 65 2.749 1.705 -4.207 1.00 0.00 H new ATOM 0 HD1 TRP A 65 3.544 2.056 -7.360 1.00 0.00 H new ATOM 0 HE1 TRP A 65 4.786 0.133 -8.537 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.283 -1.793 -4.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.156 -2.677 -8.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 3.116 -4.083 -4.664 1.00 0.00 H new ATOM 0 HH2 TRP A 65 4.541 -4.530 -6.643 1.00 0.00 H new ATOM 968 N ILE A 66 1.333 0.279 -2.087 1.00 0.00 N ATOM 969 CA ILE A 66 1.301 0.658 -0.644 1.00 0.00 C ATOM 970 C ILE A 66 2.683 0.338 -0.054 1.00 0.00 C ATOM 971 O ILE A 66 3.514 -0.254 -0.712 1.00 0.00 O ATOM 972 CB ILE A 66 0.200 -0.109 0.097 1.00 0.00 C ATOM 973 CG1 ILE A 66 0.398 -1.615 -0.064 1.00 0.00 C ATOM 974 CG2 ILE A 66 -1.159 0.279 -0.483 1.00 0.00 C ATOM 975 CD1 ILE A 66 -0.772 -2.349 0.599 1.00 0.00 C ATOM 0 H ILE A 66 1.818 -0.594 -2.295 1.00 0.00 H new ATOM 0 HA ILE A 66 1.078 1.719 -0.534 1.00 0.00 H new ATOM 0 HB ILE A 66 0.246 0.144 1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.455 -1.876 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.340 -1.921 0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.946 -0.264 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.314 1.351 -0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.188 0.027 -1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.637 -3.425 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.807 -2.096 1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.706 -2.050 0.123 1.00 0.00 H new ATOM 987 N GLY A 67 2.965 0.754 1.153 1.00 0.00 N ATOM 988 CA GLY A 67 4.317 0.504 1.728 1.00 0.00 C ATOM 989 C GLY A 67 4.397 -0.850 2.429 1.00 0.00 C ATOM 990 O GLY A 67 4.835 -0.930 3.555 1.00 0.00 O ATOM 0 H GLY A 67 2.319 1.255 1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.062 0.546 0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.562 1.295 2.437 1.00 0.00 H new ATOM 994 N LEU A 68 4.017 -1.920 1.781 1.00 0.00 N ATOM 995 CA LEU A 68 4.130 -3.256 2.444 1.00 0.00 C ATOM 996 C LEU A 68 4.800 -4.243 1.494 1.00 0.00 C ATOM 997 O LEU A 68 4.396 -4.403 0.361 1.00 0.00 O ATOM 998 CB LEU A 68 2.747 -3.784 2.844 1.00 0.00 C ATOM 999 CG LEU A 68 2.874 -5.158 3.544 1.00 0.00 C ATOM 1000 CD1 LEU A 68 4.022 -5.152 4.551 1.00 0.00 C ATOM 1001 CD2 LEU A 68 1.590 -5.467 4.310 1.00 0.00 C ATOM 0 H LEU A 68 3.638 -1.930 0.834 1.00 0.00 H new ATOM 0 HA LEU A 68 4.732 -3.146 3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.259 -3.073 3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.117 -3.877 1.960 1.00 0.00 H new ATOM 0 HG LEU A 68 3.060 -5.907 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.091 -6.129 5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.957 -4.934 4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.838 -4.389 5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.684 -6.435 4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.419 -4.695 5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.750 -5.492 3.616 1.00 0.00 H new ATOM 1013 N HIS A 69 5.823 -4.908 1.955 1.00 0.00 N ATOM 1014 CA HIS A 69 6.534 -5.895 1.097 1.00 0.00 C ATOM 1015 C HIS A 69 6.573 -7.235 1.810 1.00 0.00 C ATOM 1016 O HIS A 69 6.024 -7.404 2.878 1.00 0.00 O ATOM 1017 CB HIS A 69 7.964 -5.425 0.822 1.00 0.00 C ATOM 1018 CG HIS A 69 8.686 -5.260 2.124 1.00 0.00 C ATOM 1019 ND1 HIS A 69 9.828 -5.977 2.441 1.00 0.00 N ATOM 1020 CD2 HIS A 69 8.428 -4.466 3.205 1.00 0.00 C ATOM 1021 CE1 HIS A 69 10.212 -5.599 3.674 1.00 0.00 C ATOM 1022 NE2 HIS A 69 9.391 -4.677 4.186 1.00 0.00 N ATOM 0 H HIS A 69 6.199 -4.808 2.898 1.00 0.00 H new ATOM 0 HA HIS A 69 6.006 -5.991 0.148 1.00 0.00 H new ATOM 0 HB2 HIS A 69 8.483 -6.149 0.194 1.00 0.00 H new ATOM 0 HB3 HIS A 69 7.951 -4.481 0.277 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.600 -3.777 3.286 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.077 -5.992 4.187 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.457 -4.226 5.098 1.00 0.00 H new ATOM 1180 N TRP A 82 5.667 -10.223 5.690 1.00 0.00 N ATOM 1181 CA TRP A 82 4.838 -9.014 5.412 1.00 0.00 C ATOM 1182 C TRP A 82 5.154 -7.917 6.435 1.00 0.00 C ATOM 1183 O TRP A 82 4.732 -7.985 7.571 1.00 0.00 O ATOM 1184 CB TRP A 82 3.350 -9.371 5.508 1.00 0.00 C ATOM 1185 CG TRP A 82 3.118 -10.775 5.042 1.00 0.00 C ATOM 1186 CD1 TRP A 82 3.887 -11.446 4.154 1.00 0.00 C ATOM 1187 CD2 TRP A 82 2.048 -11.686 5.427 1.00 0.00 C ATOM 1188 NE1 TRP A 82 3.358 -12.712 3.972 1.00 0.00 N ATOM 1189 CE2 TRP A 82 2.224 -12.907 4.736 1.00 0.00 C ATOM 1190 CE3 TRP A 82 0.954 -11.571 6.302 1.00 0.00 C ATOM 1191 CZ2 TRP A 82 1.344 -13.977 4.908 1.00 0.00 C ATOM 1192 CZ3 TRP A 82 0.067 -12.645 6.478 1.00 0.00 C ATOM 1193 CH2 TRP A 82 0.261 -13.846 5.781 1.00 0.00 C ATOM 0 HA TRP A 82 5.067 -8.655 4.408 1.00 0.00 H new ATOM 0 HB2 TRP A 82 3.009 -9.262 6.538 1.00 0.00 H new ATOM 0 HB3 TRP A 82 2.764 -8.679 4.903 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.769 -11.057 3.667 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.757 -13.415 3.350 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.795 -10.650 6.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.499 -14.900 4.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.769 -12.545 7.154 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.425 -14.668 5.919 1.00 0.00 H new ATOM 1204 N GLU A 83 5.881 -6.896 6.047 1.00 0.00 N ATOM 1205 CA GLU A 83 6.189 -5.801 7.024 1.00 0.00 C ATOM 1206 C GLU A 83 6.126 -4.442 6.320 1.00 0.00 C ATOM 1207 O GLU A 83 6.726 -4.241 5.285 1.00 0.00 O ATOM 1208 CB GLU A 83 7.590 -6.009 7.614 1.00 0.00 C ATOM 1209 CG GLU A 83 7.653 -5.398 9.016 1.00 0.00 C ATOM 1210 CD GLU A 83 9.113 -5.277 9.455 1.00 0.00 C ATOM 1211 OE1 GLU A 83 9.944 -5.955 8.874 1.00 0.00 O ATOM 1212 OE2 GLU A 83 9.376 -4.507 10.365 1.00 0.00 O ATOM 0 H GLU A 83 6.269 -6.773 5.112 1.00 0.00 H new ATOM 0 HA GLU A 83 5.452 -5.825 7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.822 -7.073 7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.339 -5.547 6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.179 -4.416 9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.101 -6.020 9.720 1.00 0.00 H new ATOM 1219 N TRP A 84 5.394 -3.508 6.874 1.00 0.00 N ATOM 1220 CA TRP A 84 5.277 -2.167 6.251 1.00 0.00 C ATOM 1221 C TRP A 84 6.636 -1.483 6.273 1.00 0.00 C ATOM 1222 O TRP A 84 7.490 -1.810 7.073 1.00 0.00 O ATOM 1223 CB TRP A 84 4.261 -1.352 7.045 1.00 0.00 C ATOM 1224 CG TRP A 84 3.244 -2.292 7.610 1.00 0.00 C ATOM 1225 CD1 TRP A 84 3.361 -2.948 8.787 1.00 0.00 C ATOM 1226 CD2 TRP A 84 1.974 -2.710 7.033 1.00 0.00 C ATOM 1227 NE1 TRP A 84 2.244 -3.740 8.970 1.00 0.00 N ATOM 1228 CE2 TRP A 84 1.360 -3.628 7.916 1.00 0.00 C ATOM 1229 CE3 TRP A 84 1.303 -2.385 5.843 1.00 0.00 C ATOM 1230 CZ2 TRP A 84 0.123 -4.203 7.629 1.00 0.00 C ATOM 1231 CZ3 TRP A 84 0.057 -2.962 5.548 1.00 0.00 C ATOM 1232 CH2 TRP A 84 -0.530 -3.870 6.440 1.00 0.00 C ATOM 0 H TRP A 84 4.869 -3.625 7.741 1.00 0.00 H new ATOM 0 HA TRP A 84 4.945 -2.253 5.216 1.00 0.00 H new ATOM 0 HB2 TRP A 84 4.757 -0.803 7.846 1.00 0.00 H new ATOM 0 HB3 TRP A 84 3.781 -0.614 6.402 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.192 -2.866 9.472 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.091 -4.335 9.784 1.00 0.00 H new ATOM 0 HE3 TRP A 84 1.748 -1.687 5.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -0.327 -4.900 8.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.451 -2.705 4.630 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.488 -4.312 6.208 1.00 0.00 H new ATOM 1243 N SER A 85 6.859 -0.546 5.393 1.00 0.00 N ATOM 1244 CA SER A 85 8.181 0.130 5.371 1.00 0.00 C ATOM 1245 C SER A 85 8.138 1.395 6.211 1.00 0.00 C ATOM 1246 O SER A 85 9.118 2.103 6.336 1.00 0.00 O ATOM 1247 CB SER A 85 8.568 0.473 3.932 1.00 0.00 C ATOM 1248 OG SER A 85 8.671 -0.726 3.175 1.00 0.00 O ATOM 0 H SER A 85 6.188 -0.223 4.695 1.00 0.00 H new ATOM 0 HA SER A 85 8.927 -0.545 5.790 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.822 1.133 3.490 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.517 1.009 3.916 1.00 0.00 H new ATOM 0 HG SER A 85 8.917 -0.510 2.251 1.00 0.00 H new ATOM 1288 N VAL A 89 5.299 -3.299 12.537 1.00 0.00 N ATOM 1289 CA VAL A 89 5.362 -4.766 12.294 1.00 0.00 C ATOM 1290 C VAL A 89 3.985 -5.246 11.843 1.00 0.00 C ATOM 1291 O VAL A 89 2.993 -4.572 12.033 1.00 0.00 O ATOM 1292 CB VAL A 89 5.758 -5.483 13.587 1.00 0.00 C ATOM 1293 CG1 VAL A 89 4.678 -5.259 14.646 1.00 0.00 C ATOM 1294 CG2 VAL A 89 5.899 -6.983 13.313 1.00 0.00 C ATOM 0 HA VAL A 89 6.102 -4.985 11.525 1.00 0.00 H new ATOM 0 HB VAL A 89 6.707 -5.086 13.947 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.960 -5.770 15.567 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.575 -4.191 14.840 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.729 -5.656 14.287 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.181 -7.496 14.233 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.949 -7.378 12.954 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.668 -7.144 12.557 1.00 0.00 H new ATOM 1304 N MET A 90 3.912 -6.398 11.244 1.00 0.00 N ATOM 1305 CA MET A 90 2.594 -6.909 10.783 1.00 0.00 C ATOM 1306 C MET A 90 1.613 -6.941 11.956 1.00 0.00 C ATOM 1307 O MET A 90 1.433 -7.958 12.595 1.00 0.00 O ATOM 1308 CB MET A 90 2.767 -8.323 10.220 1.00 0.00 C ATOM 1309 CG MET A 90 1.563 -8.683 9.343 1.00 0.00 C ATOM 1310 SD MET A 90 1.237 -10.460 9.464 1.00 0.00 S ATOM 1311 CE MET A 90 0.079 -10.384 10.853 1.00 0.00 C ATOM 0 H MET A 90 4.707 -7.008 11.053 1.00 0.00 H new ATOM 0 HA MET A 90 2.202 -6.252 10.007 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.685 -8.382 9.635 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.862 -9.040 11.035 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.686 -8.119 9.661 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.759 -8.408 8.307 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.519 -11.295 10.879 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.635 -10.289 11.786 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.578 -9.522 10.732 1.00 0.00 H new ATOM 1321 N ASN A 91 0.969 -5.838 12.241 1.00 0.00 N ATOM 1322 CA ASN A 91 -0.009 -5.819 13.368 1.00 0.00 C ATOM 1323 C ASN A 91 -1.413 -5.991 12.791 1.00 0.00 C ATOM 1324 O ASN A 91 -2.377 -6.168 13.511 1.00 0.00 O ATOM 1325 CB ASN A 91 0.090 -4.482 14.121 1.00 0.00 C ATOM 1326 CG ASN A 91 -0.004 -4.730 15.629 1.00 0.00 C ATOM 1327 OD1 ASN A 91 -1.085 -4.810 16.178 1.00 0.00 O ATOM 1328 ND2 ASN A 91 1.092 -4.855 16.326 1.00 0.00 N ATOM 0 H ASN A 91 1.078 -4.954 11.744 1.00 0.00 H new ATOM 0 HA ASN A 91 0.207 -6.627 14.067 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.032 -3.988 13.882 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.710 -3.814 13.802 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.041 -5.020 17.331 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.000 -4.788 15.866 1.00 0.00 H new ATOM 1335 N TYR A 92 -1.529 -5.947 11.489 1.00 0.00 N ATOM 1336 CA TYR A 92 -2.860 -6.117 10.842 1.00 0.00 C ATOM 1337 C TYR A 92 -2.741 -7.151 9.718 1.00 0.00 C ATOM 1338 O TYR A 92 -1.677 -7.354 9.167 1.00 0.00 O ATOM 1339 CB TYR A 92 -3.325 -4.776 10.268 1.00 0.00 C ATOM 1340 CG TYR A 92 -4.669 -4.943 9.590 1.00 0.00 C ATOM 1341 CD1 TYR A 92 -5.755 -5.478 10.298 1.00 0.00 C ATOM 1342 CD2 TYR A 92 -4.827 -4.561 8.252 1.00 0.00 C ATOM 1343 CE1 TYR A 92 -6.994 -5.632 9.665 1.00 0.00 C ATOM 1344 CE2 TYR A 92 -6.067 -4.715 7.621 1.00 0.00 C ATOM 1345 CZ TYR A 92 -7.150 -5.251 8.328 1.00 0.00 C ATOM 1346 OH TYR A 92 -8.373 -5.403 7.706 1.00 0.00 O ATOM 0 H TYR A 92 -0.753 -5.800 10.844 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.588 -6.460 11.577 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -3.399 -4.036 11.065 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.591 -4.403 9.553 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.635 -5.771 11.331 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -3.992 -4.147 7.707 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.830 -6.045 10.209 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -6.188 -4.420 6.589 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.310 -5.089 6.780 1.00 0.00 H new ATOM 1356 N PHE A 93 -3.817 -7.813 9.381 1.00 0.00 N ATOM 1357 CA PHE A 93 -3.753 -8.842 8.298 1.00 0.00 C ATOM 1358 C PHE A 93 -4.941 -8.678 7.345 1.00 0.00 C ATOM 1359 O PHE A 93 -6.059 -8.454 7.763 1.00 0.00 O ATOM 1360 CB PHE A 93 -3.795 -10.236 8.923 1.00 0.00 C ATOM 1361 CG PHE A 93 -5.072 -10.397 9.712 1.00 0.00 C ATOM 1362 CD1 PHE A 93 -6.258 -10.750 9.056 1.00 0.00 C ATOM 1363 CD2 PHE A 93 -5.072 -10.194 11.097 1.00 0.00 C ATOM 1364 CE1 PHE A 93 -7.443 -10.898 9.786 1.00 0.00 C ATOM 1365 CE2 PHE A 93 -6.258 -10.344 11.826 1.00 0.00 C ATOM 1366 CZ PHE A 93 -7.443 -10.696 11.171 1.00 0.00 C ATOM 0 H PHE A 93 -4.735 -7.687 9.807 1.00 0.00 H new ATOM 0 HA PHE A 93 -2.827 -8.714 7.738 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.738 -10.997 8.145 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.933 -10.380 9.574 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -6.258 -10.908 7.988 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.158 -9.922 11.603 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -8.358 -11.168 9.280 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -6.258 -10.188 12.895 1.00 0.00 H new ATOM 0 HZ PHE A 93 -8.357 -10.812 11.734 1.00 0.00 H new ATOM 1376 N ALA A 94 -4.705 -8.799 6.065 1.00 0.00 N ATOM 1377 CA ALA A 94 -5.816 -8.660 5.080 1.00 0.00 C ATOM 1378 C ALA A 94 -5.314 -9.037 3.681 1.00 0.00 C ATOM 1379 O ALA A 94 -5.851 -8.606 2.681 1.00 0.00 O ATOM 1380 CB ALA A 94 -6.319 -7.214 5.075 1.00 0.00 C ATOM 0 H ALA A 94 -3.789 -8.988 5.659 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.633 -9.325 5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.131 -7.114 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.681 -6.951 6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.503 -6.546 4.798 1.00 0.00 H new ATOM 1386 N TRP A 95 -4.285 -9.839 3.604 1.00 0.00 N ATOM 1387 CA TRP A 95 -3.746 -10.244 2.276 1.00 0.00 C ATOM 1388 C TRP A 95 -4.791 -11.073 1.526 1.00 0.00 C ATOM 1389 O TRP A 95 -5.658 -11.682 2.119 1.00 0.00 O ATOM 1390 CB TRP A 95 -2.481 -11.082 2.481 1.00 0.00 C ATOM 1391 CG TRP A 95 -2.679 -11.996 3.647 1.00 0.00 C ATOM 1392 CD1 TRP A 95 -2.315 -11.719 4.921 1.00 0.00 C ATOM 1393 CD2 TRP A 95 -3.281 -13.323 3.673 1.00 0.00 C ATOM 1394 NE1 TRP A 95 -2.655 -12.791 5.725 1.00 0.00 N ATOM 1395 CE2 TRP A 95 -3.252 -13.804 5.003 1.00 0.00 C ATOM 1396 CE3 TRP A 95 -3.843 -14.148 2.682 1.00 0.00 C ATOM 1397 CZ2 TRP A 95 -3.764 -15.058 5.339 1.00 0.00 C ATOM 1398 CZ3 TRP A 95 -4.358 -15.411 3.016 1.00 0.00 C ATOM 1399 CH2 TRP A 95 -4.318 -15.865 4.342 1.00 0.00 C ATOM 0 H TRP A 95 -3.794 -10.231 4.407 1.00 0.00 H new ATOM 0 HA TRP A 95 -3.508 -9.354 1.693 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.265 -11.661 1.583 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.624 -10.431 2.655 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.837 -10.810 5.255 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -2.485 -12.829 6.730 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.879 -13.808 1.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -3.732 -15.402 6.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.787 -16.036 2.247 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.715 -16.838 4.592 1.00 0.00 H new ATOM 1410 N GLU A 96 -4.712 -11.104 0.223 1.00 0.00 N ATOM 1411 CA GLU A 96 -5.697 -11.895 -0.568 1.00 0.00 C ATOM 1412 C GLU A 96 -5.359 -13.383 -0.456 1.00 0.00 C ATOM 1413 O GLU A 96 -6.195 -14.196 -0.119 1.00 0.00 O ATOM 1414 CB GLU A 96 -5.633 -11.469 -2.038 1.00 0.00 C ATOM 1415 CG GLU A 96 -6.885 -11.961 -2.766 1.00 0.00 C ATOM 1416 CD GLU A 96 -6.686 -11.815 -4.278 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -5.874 -12.546 -4.822 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -7.349 -10.976 -4.864 1.00 0.00 O ATOM 0 H GLU A 96 -4.007 -10.615 -0.328 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.701 -11.717 -0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.560 -10.384 -2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.740 -11.881 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.080 -13.003 -2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.754 -11.387 -2.446 1.00 0.00 H new ATOM 1564 N HIS A 107 7.949 -9.414 -4.118 1.00 0.00 N ATOM 1565 CA HIS A 107 8.288 -8.927 -2.748 1.00 0.00 C ATOM 1566 C HIS A 107 7.669 -7.545 -2.539 1.00 0.00 C ATOM 1567 O HIS A 107 8.301 -6.637 -2.037 1.00 0.00 O ATOM 1568 CB HIS A 107 9.813 -8.845 -2.592 1.00 0.00 C ATOM 1569 CG HIS A 107 10.461 -9.921 -3.418 1.00 0.00 C ATOM 1570 ND1 HIS A 107 10.348 -11.265 -3.103 1.00 0.00 N ATOM 1571 CD2 HIS A 107 11.232 -9.870 -4.551 1.00 0.00 C ATOM 1572 CE1 HIS A 107 11.035 -11.954 -4.030 1.00 0.00 C ATOM 1573 NE2 HIS A 107 11.594 -11.153 -4.934 1.00 0.00 N ATOM 0 HA HIS A 107 7.892 -9.618 -2.004 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.169 -7.865 -2.909 1.00 0.00 H new ATOM 0 HB3 HIS A 107 10.089 -8.961 -1.544 1.00 0.00 H new ATOM 0 HD2 HIS A 107 11.515 -8.965 -5.068 1.00 0.00 H new ATOM 0 HE1 HIS A 107 11.123 -13.030 -4.040 1.00 0.00 H new ATOM 0 HE2 HIS A 107 12.165 -11.424 -5.735 1.00 0.00 H new ATOM 1581 N CYS A 108 6.435 -7.379 -2.933 1.00 0.00 N ATOM 1582 CA CYS A 108 5.764 -6.057 -2.771 1.00 0.00 C ATOM 1583 C CYS A 108 4.260 -6.280 -2.599 1.00 0.00 C ATOM 1584 O CYS A 108 3.750 -7.343 -2.888 1.00 0.00 O ATOM 1585 CB CYS A 108 6.017 -5.208 -4.019 1.00 0.00 C ATOM 1586 SG CYS A 108 7.441 -5.875 -4.910 1.00 0.00 S ATOM 0 H CYS A 108 5.861 -8.105 -3.362 1.00 0.00 H new ATOM 0 HA CYS A 108 6.160 -5.542 -1.896 1.00 0.00 H new ATOM 0 HB2 CYS A 108 5.136 -5.212 -4.661 1.00 0.00 H new ATOM 0 HB3 CYS A 108 6.202 -4.171 -3.737 1.00 0.00 H new ATOM 1591 N ALA A 109 3.542 -5.290 -2.134 1.00 0.00 N ATOM 1592 CA ALA A 109 2.070 -5.462 -1.951 1.00 0.00 C ATOM 1593 C ALA A 109 1.324 -4.262 -2.542 1.00 0.00 C ATOM 1594 O ALA A 109 1.742 -3.125 -2.424 1.00 0.00 O ATOM 1595 CB ALA A 109 1.752 -5.580 -0.457 1.00 0.00 C ATOM 0 H ALA A 109 3.909 -4.375 -1.874 1.00 0.00 H new ATOM 0 HA ALA A 109 1.749 -6.368 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.678 -5.706 -0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.273 -6.442 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.079 -4.676 0.057 1.00 0.00 H new ATOM 1601 N SER A 110 0.211 -4.521 -3.173 1.00 0.00 N ATOM 1602 CA SER A 110 -0.602 -3.429 -3.776 1.00 0.00 C ATOM 1603 C SER A 110 -2.080 -3.725 -3.501 1.00 0.00 C ATOM 1604 O SER A 110 -2.441 -4.833 -3.153 1.00 0.00 O ATOM 1605 CB SER A 110 -0.355 -3.382 -5.290 1.00 0.00 C ATOM 1606 OG SER A 110 0.424 -4.508 -5.672 1.00 0.00 O ATOM 0 H SER A 110 -0.174 -5.457 -3.297 1.00 0.00 H new ATOM 0 HA SER A 110 -0.325 -2.467 -3.344 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.304 -3.383 -5.826 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.161 -2.460 -5.558 1.00 0.00 H new ATOM 0 HG SER A 110 1.376 -4.286 -5.604 1.00 0.00 H new ATOM 1612 N LEU A 111 -2.940 -2.759 -3.655 1.00 0.00 N ATOM 1613 CA LEU A 111 -4.386 -3.012 -3.403 1.00 0.00 C ATOM 1614 C LEU A 111 -5.022 -3.529 -4.692 1.00 0.00 C ATOM 1615 O LEU A 111 -4.608 -3.179 -5.777 1.00 0.00 O ATOM 1616 CB LEU A 111 -5.081 -1.711 -2.979 1.00 0.00 C ATOM 1617 CG LEU A 111 -4.557 -1.252 -1.604 1.00 0.00 C ATOM 1618 CD1 LEU A 111 -4.235 0.245 -1.637 1.00 0.00 C ATOM 1619 CD2 LEU A 111 -5.626 -1.502 -0.536 1.00 0.00 C ATOM 0 H LEU A 111 -2.707 -1.809 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.496 -3.747 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -4.901 -0.935 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -6.159 -1.864 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.654 -1.815 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -3.866 0.559 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.473 0.437 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.137 0.806 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.253 -1.177 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.527 -0.942 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.860 -2.566 -0.497 1.00 0.00 H new ATOM 1631 N SER A 112 -6.013 -4.365 -4.579 1.00 0.00 N ATOM 1632 CA SER A 112 -6.680 -4.919 -5.796 1.00 0.00 C ATOM 1633 C SER A 112 -8.106 -4.372 -5.898 1.00 0.00 C ATOM 1634 O SER A 112 -8.933 -4.599 -5.039 1.00 0.00 O ATOM 1635 CB SER A 112 -6.731 -6.446 -5.689 1.00 0.00 C ATOM 1636 OG SER A 112 -5.552 -6.911 -5.047 1.00 0.00 O ATOM 0 H SER A 112 -6.395 -4.693 -3.692 1.00 0.00 H new ATOM 0 HA SER A 112 -6.118 -4.627 -6.683 1.00 0.00 H new ATOM 0 HB2 SER A 112 -7.612 -6.753 -5.125 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.818 -6.889 -6.681 1.00 0.00 H new ATOM 0 HG SER A 112 -4.767 -6.504 -5.470 1.00 0.00 H new ATOM 1642 N ARG A 113 -8.395 -3.657 -6.947 1.00 0.00 N ATOM 1643 CA ARG A 113 -9.766 -3.096 -7.119 1.00 0.00 C ATOM 1644 C ARG A 113 -10.786 -4.237 -7.131 1.00 0.00 C ATOM 1645 O ARG A 113 -11.888 -4.102 -6.638 1.00 0.00 O ATOM 1646 CB ARG A 113 -9.840 -2.332 -8.445 1.00 0.00 C ATOM 1647 CG ARG A 113 -11.276 -1.858 -8.690 1.00 0.00 C ATOM 1648 CD ARG A 113 -11.319 -0.973 -9.935 1.00 0.00 C ATOM 1649 NE ARG A 113 -12.729 -0.833 -10.395 1.00 0.00 N ATOM 1650 CZ ARG A 113 -13.050 0.104 -11.246 1.00 0.00 C ATOM 1651 NH1 ARG A 113 -13.402 1.284 -10.817 1.00 0.00 N ATOM 1652 NH2 ARG A 113 -13.017 -0.142 -12.529 1.00 0.00 N ATOM 0 H ARG A 113 -7.740 -3.435 -7.697 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.988 -2.418 -6.295 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.164 -1.477 -8.421 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.514 -2.973 -9.264 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.936 -2.716 -8.819 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -11.639 -1.303 -7.825 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.899 0.008 -9.712 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.709 -1.409 -10.726 1.00 0.00 H new ATOM 0 HE ARG A 113 -13.445 -1.470 -10.045 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -13.427 1.476 -9.816 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -13.652 2.015 -11.483 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.741 -1.065 -12.864 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -13.267 0.589 -13.195 1.00 0.00 H new ATOM 1666 N SER A 114 -10.429 -5.359 -7.696 1.00 0.00 N ATOM 1667 CA SER A 114 -11.381 -6.506 -7.742 1.00 0.00 C ATOM 1668 C SER A 114 -11.835 -6.856 -6.324 1.00 0.00 C ATOM 1669 O SER A 114 -12.931 -7.339 -6.114 1.00 0.00 O ATOM 1670 CB SER A 114 -10.690 -7.716 -8.369 1.00 0.00 C ATOM 1671 OG SER A 114 -11.377 -8.900 -7.986 1.00 0.00 O ATOM 0 H SER A 114 -9.521 -5.531 -8.127 1.00 0.00 H new ATOM 0 HA SER A 114 -12.249 -6.231 -8.341 1.00 0.00 H new ATOM 0 HB2 SER A 114 -10.681 -7.622 -9.455 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.650 -7.764 -8.045 1.00 0.00 H new ATOM 0 HG SER A 114 -10.937 -9.678 -8.388 1.00 0.00 H new ATOM 1677 N THR A 115 -11.000 -6.616 -5.348 1.00 0.00 N ATOM 1678 CA THR A 115 -11.375 -6.935 -3.940 1.00 0.00 C ATOM 1679 C THR A 115 -11.778 -5.648 -3.218 1.00 0.00 C ATOM 1680 O THR A 115 -11.635 -5.528 -2.016 1.00 0.00 O ATOM 1681 CB THR A 115 -10.176 -7.562 -3.226 1.00 0.00 C ATOM 1682 OG1 THR A 115 -9.090 -6.647 -3.240 1.00 0.00 O ATOM 1683 CG2 THR A 115 -9.770 -8.852 -3.941 1.00 0.00 C ATOM 0 H THR A 115 -10.071 -6.211 -5.466 1.00 0.00 H new ATOM 0 HA THR A 115 -12.211 -7.634 -3.934 1.00 0.00 H new ATOM 0 HB THR A 115 -10.445 -7.792 -2.195 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.282 -5.921 -3.870 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.916 -9.297 -3.431 1.00 0.00 H new ATOM 0 HG22 THR A 115 -10.605 -9.553 -3.930 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.500 -8.627 -4.973 1.00 0.00 H new ATOM 1691 N ALA A 116 -12.275 -4.684 -3.941 1.00 0.00 N ATOM 1692 CA ALA A 116 -12.682 -3.403 -3.298 1.00 0.00 C ATOM 1693 C ALA A 116 -11.473 -2.789 -2.588 1.00 0.00 C ATOM 1694 O ALA A 116 -11.610 -2.054 -1.632 1.00 0.00 O ATOM 1695 CB ALA A 116 -13.794 -3.669 -2.280 1.00 0.00 C ATOM 0 H ALA A 116 -12.417 -4.727 -4.950 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.049 -2.714 -4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.090 -2.731 -1.811 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.653 -4.109 -2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.431 -4.358 -1.517 1.00 0.00 H new ATOM 1701 N PHE A 117 -10.292 -3.089 -3.054 1.00 0.00 N ATOM 1702 CA PHE A 117 -9.066 -2.530 -2.414 1.00 0.00 C ATOM 1703 C PHE A 117 -9.017 -2.956 -0.948 1.00 0.00 C ATOM 1704 O PHE A 117 -8.338 -2.355 -0.139 1.00 0.00 O ATOM 1705 CB PHE A 117 -9.086 -1.002 -2.503 1.00 0.00 C ATOM 1706 CG PHE A 117 -9.376 -0.580 -3.924 1.00 0.00 C ATOM 1707 CD1 PHE A 117 -8.329 -0.461 -4.845 1.00 0.00 C ATOM 1708 CD2 PHE A 117 -10.692 -0.305 -4.318 1.00 0.00 C ATOM 1709 CE1 PHE A 117 -8.596 -0.068 -6.161 1.00 0.00 C ATOM 1710 CE2 PHE A 117 -10.959 0.086 -5.636 1.00 0.00 C ATOM 1711 CZ PHE A 117 -9.912 0.205 -6.557 1.00 0.00 C ATOM 0 H PHE A 117 -10.122 -3.699 -3.853 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.185 -2.908 -2.933 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.844 -0.599 -1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -8.127 -0.596 -2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.315 -0.673 -4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -11.499 -0.394 -3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.788 0.025 -6.871 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -11.973 0.296 -5.942 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.118 0.507 -7.573 1.00 0.00 H new ATOM 1721 N LEU A 118 -9.731 -3.992 -0.599 1.00 0.00 N ATOM 1722 CA LEU A 118 -9.729 -4.464 0.816 1.00 0.00 C ATOM 1723 C LEU A 118 -8.773 -5.651 0.957 1.00 0.00 C ATOM 1724 O LEU A 118 -8.672 -6.256 2.005 1.00 0.00 O ATOM 1725 CB LEU A 118 -11.143 -4.900 1.204 1.00 0.00 C ATOM 1726 CG LEU A 118 -12.053 -3.672 1.323 1.00 0.00 C ATOM 1727 CD1 LEU A 118 -13.493 -4.131 1.564 1.00 0.00 C ATOM 1728 CD2 LEU A 118 -11.596 -2.787 2.493 1.00 0.00 C ATOM 0 H LEU A 118 -10.317 -4.533 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 118 -9.402 -3.656 1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.540 -5.586 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.120 -5.439 2.151 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.998 -3.096 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.143 -3.260 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.822 -4.749 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.541 -4.711 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -12.249 -1.918 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -11.643 -3.358 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.571 -2.457 2.321 1.00 0.00 H new ATOM 1740 N ARG A 119 -8.070 -5.987 -0.095 1.00 0.00 N ATOM 1741 CA ARG A 119 -7.117 -7.135 -0.028 1.00 0.00 C ATOM 1742 C ARG A 119 -5.786 -6.727 -0.665 1.00 0.00 C ATOM 1743 O ARG A 119 -5.744 -5.916 -1.569 1.00 0.00 O ATOM 1744 CB ARG A 119 -7.700 -8.329 -0.787 1.00 0.00 C ATOM 1745 CG ARG A 119 -9.025 -8.755 -0.147 1.00 0.00 C ATOM 1746 CD ARG A 119 -8.762 -9.416 1.210 1.00 0.00 C ATOM 1747 NE ARG A 119 -9.918 -10.290 1.566 1.00 0.00 N ATOM 1748 CZ ARG A 119 -9.742 -11.326 2.339 1.00 0.00 C ATOM 1749 NH1 ARG A 119 -8.644 -11.441 3.038 1.00 0.00 N ATOM 1750 NH2 ARG A 119 -10.662 -12.248 2.415 1.00 0.00 N ATOM 0 H ARG A 119 -8.115 -5.515 -0.998 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.954 -7.412 1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.859 -8.064 -1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -6.995 -9.160 -0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.672 -7.887 -0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -9.549 -9.449 -0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -7.846 -10.005 1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -8.618 -8.654 1.976 1.00 0.00 H new ATOM 0 HE ARG A 119 -10.848 -10.077 1.204 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -7.924 -10.721 2.979 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -8.507 -12.251 3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -11.519 -12.159 1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -10.524 -13.058 3.020 1.00 0.00 H new ATOM 1764 N TRP A 120 -4.698 -7.281 -0.200 1.00 0.00 N ATOM 1765 CA TRP A 120 -3.367 -6.925 -0.775 1.00 0.00 C ATOM 1766 C TRP A 120 -2.903 -8.026 -1.730 1.00 0.00 C ATOM 1767 O TRP A 120 -3.047 -9.201 -1.454 1.00 0.00 O ATOM 1768 CB TRP A 120 -2.344 -6.788 0.354 1.00 0.00 C ATOM 1769 CG TRP A 120 -2.910 -5.946 1.449 1.00 0.00 C ATOM 1770 CD1 TRP A 120 -3.537 -4.760 1.279 1.00 0.00 C ATOM 1771 CD2 TRP A 120 -2.908 -6.206 2.880 1.00 0.00 C ATOM 1772 NE1 TRP A 120 -3.920 -4.275 2.517 1.00 0.00 N ATOM 1773 CE2 TRP A 120 -3.553 -5.132 3.536 1.00 0.00 C ATOM 1774 CE3 TRP A 120 -2.411 -7.262 3.665 1.00 0.00 C ATOM 1775 CZ2 TRP A 120 -3.702 -5.107 4.922 1.00 0.00 C ATOM 1776 CZ3 TRP A 120 -2.559 -7.240 5.060 1.00 0.00 C ATOM 1777 CH2 TRP A 120 -3.203 -6.165 5.688 1.00 0.00 C ATOM 0 H TRP A 120 -4.673 -7.966 0.555 1.00 0.00 H new ATOM 0 HA TRP A 120 -3.454 -5.983 -1.316 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -2.080 -7.773 0.739 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -1.427 -6.338 -0.026 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -3.710 -4.271 0.332 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -4.413 -3.393 2.659 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -1.913 -8.095 3.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.199 -4.276 5.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -2.174 -8.056 5.654 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.314 -6.154 6.762 1.00 0.00 H new ATOM 1788 N LYS A 121 -2.339 -7.654 -2.848 1.00 0.00 N ATOM 1789 CA LYS A 121 -1.852 -8.673 -3.827 1.00 0.00 C ATOM 1790 C LYS A 121 -0.355 -8.491 -4.040 1.00 0.00 C ATOM 1791 O LYS A 121 0.176 -7.406 -3.913 1.00 0.00 O ATOM 1792 CB LYS A 121 -2.585 -8.501 -5.160 1.00 0.00 C ATOM 1793 CG LYS A 121 -2.445 -9.778 -5.992 1.00 0.00 C ATOM 1794 CD LYS A 121 -3.258 -9.640 -7.281 1.00 0.00 C ATOM 1795 CE LYS A 121 -3.419 -11.014 -7.933 1.00 0.00 C ATOM 1796 NZ LYS A 121 -2.075 -11.586 -8.227 1.00 0.00 N ATOM 0 H LYS A 121 -2.193 -6.684 -3.128 1.00 0.00 H new ATOM 0 HA LYS A 121 -2.047 -9.672 -3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -3.638 -8.285 -4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.173 -7.652 -5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.396 -9.957 -6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -2.794 -10.638 -5.420 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -4.237 -9.213 -7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -2.758 -8.956 -7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -3.972 -11.680 -7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -3.998 -10.926 -8.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -2.177 -12.405 -8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -1.484 -10.865 -8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -1.625 -11.888 -7.340 1.00 0.00 H new ATOM 1810 N ASP A 122 0.334 -9.551 -4.356 1.00 0.00 N ATOM 1811 CA ASP A 122 1.801 -9.442 -4.564 1.00 0.00 C ATOM 1812 C ASP A 122 2.081 -8.880 -5.961 1.00 0.00 C ATOM 1813 O ASP A 122 1.358 -9.138 -6.901 1.00 0.00 O ATOM 1814 CB ASP A 122 2.441 -10.824 -4.431 1.00 0.00 C ATOM 1815 CG ASP A 122 2.386 -11.274 -2.970 1.00 0.00 C ATOM 1816 OD1 ASP A 122 1.505 -10.813 -2.262 1.00 0.00 O ATOM 1817 OD2 ASP A 122 3.226 -12.070 -2.583 1.00 0.00 O ATOM 0 H ASP A 122 -0.056 -10.486 -4.479 1.00 0.00 H new ATOM 0 HA ASP A 122 2.224 -8.774 -3.814 1.00 0.00 H new ATOM 0 HB2 ASP A 122 1.918 -11.541 -5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 122 3.475 -10.792 -4.774 1.00 0.00 H new ATOM 1822 N TYR A 123 3.128 -8.110 -6.105 1.00 0.00 N ATOM 1823 CA TYR A 123 3.448 -7.534 -7.444 1.00 0.00 C ATOM 1824 C TYR A 123 4.933 -7.146 -7.496 1.00 0.00 C ATOM 1825 O TYR A 123 5.567 -6.944 -6.479 1.00 0.00 O ATOM 1826 CB TYR A 123 2.570 -6.296 -7.682 1.00 0.00 C ATOM 1827 CG TYR A 123 1.423 -6.654 -8.601 1.00 0.00 C ATOM 1828 CD1 TYR A 123 1.684 -7.047 -9.921 1.00 0.00 C ATOM 1829 CD2 TYR A 123 0.102 -6.591 -8.137 1.00 0.00 C ATOM 1830 CE1 TYR A 123 0.624 -7.379 -10.774 1.00 0.00 C ATOM 1831 CE2 TYR A 123 -0.956 -6.923 -8.992 1.00 0.00 C ATOM 1832 CZ TYR A 123 -0.695 -7.316 -10.309 1.00 0.00 C ATOM 1833 OH TYR A 123 -1.739 -7.643 -11.152 1.00 0.00 O ATOM 0 H TYR A 123 3.773 -7.856 -5.356 1.00 0.00 H new ATOM 0 HA TYR A 123 3.249 -8.272 -8.221 1.00 0.00 H new ATOM 0 HB2 TYR A 123 2.185 -5.923 -6.733 1.00 0.00 H new ATOM 0 HB3 TYR A 123 3.165 -5.495 -8.122 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.702 -7.094 -10.280 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -0.100 -6.287 -7.121 1.00 0.00 H new ATOM 0 HE1 TYR A 123 0.824 -7.684 -11.791 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -1.974 -6.876 -8.635 1.00 0.00 H new ATOM 0 HH TYR A 123 -2.589 -7.548 -10.673 1.00 0.00 H new ATOM 1843 N ASN A 124 5.492 -7.046 -8.675 1.00 0.00 N ATOM 1844 CA ASN A 124 6.932 -6.678 -8.800 1.00 0.00 C ATOM 1845 C ASN A 124 7.146 -5.258 -8.277 1.00 0.00 C ATOM 1846 O ASN A 124 6.504 -4.323 -8.702 1.00 0.00 O ATOM 1847 CB ASN A 124 7.350 -6.748 -10.272 1.00 0.00 C ATOM 1848 CG ASN A 124 8.873 -6.658 -10.374 1.00 0.00 C ATOM 1849 OD1 ASN A 124 9.492 -5.852 -9.708 1.00 0.00 O ATOM 1850 ND2 ASN A 124 9.509 -7.456 -11.188 1.00 0.00 N ATOM 0 H ASN A 124 5.009 -7.204 -9.560 1.00 0.00 H new ATOM 0 HA ASN A 124 7.535 -7.373 -8.216 1.00 0.00 H new ATOM 0 HB2 ASN A 124 6.999 -7.679 -10.717 1.00 0.00 H new ATOM 0 HB3 ASN A 124 6.889 -5.934 -10.831 1.00 0.00 H new ATOM 0 HD21 ASN A 124 10.525 -7.403 -11.265 1.00 0.00 H new ATOM 0 HD22 ASN A 124 8.990 -8.133 -11.747 1.00 0.00 H new ATOM 1857 N CYS A 125 8.041 -5.101 -7.345 1.00 0.00 N ATOM 1858 CA CYS A 125 8.307 -3.751 -6.759 1.00 0.00 C ATOM 1859 C CYS A 125 8.654 -2.733 -7.849 1.00 0.00 C ATOM 1860 O CYS A 125 8.726 -1.548 -7.590 1.00 0.00 O ATOM 1861 CB CYS A 125 9.485 -3.842 -5.786 1.00 0.00 C ATOM 1862 SG CYS A 125 8.983 -4.732 -4.295 1.00 0.00 S ATOM 0 H CYS A 125 8.608 -5.855 -6.957 1.00 0.00 H new ATOM 0 HA CYS A 125 7.405 -3.423 -6.243 1.00 0.00 H new ATOM 0 HB2 CYS A 125 10.322 -4.354 -6.261 1.00 0.00 H new ATOM 0 HB3 CYS A 125 9.830 -2.842 -5.524 1.00 0.00 H new ATOM 1867 N ASN A 126 8.896 -3.167 -9.055 1.00 0.00 N ATOM 1868 CA ASN A 126 9.265 -2.193 -10.124 1.00 0.00 C ATOM 1869 C ASN A 126 8.017 -1.687 -10.853 1.00 0.00 C ATOM 1870 O ASN A 126 7.949 -0.541 -11.248 1.00 0.00 O ATOM 1871 CB ASN A 126 10.205 -2.864 -11.127 1.00 0.00 C ATOM 1872 CG ASN A 126 10.527 -1.885 -12.258 1.00 0.00 C ATOM 1873 OD1 ASN A 126 11.308 -0.971 -12.083 1.00 0.00 O ATOM 1874 ND2 ASN A 126 9.953 -2.039 -13.420 1.00 0.00 N ATOM 0 H ASN A 126 8.855 -4.144 -9.346 1.00 0.00 H new ATOM 0 HA ASN A 126 9.765 -1.343 -9.660 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.123 -3.176 -10.629 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.741 -3.763 -11.531 1.00 0.00 H new ATOM 0 HD21 ASN A 126 10.160 -1.392 -14.181 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.297 -2.806 -13.567 1.00 0.00 H new ATOM 1881 N VAL A 127 7.022 -2.514 -11.029 1.00 0.00 N ATOM 1882 CA VAL A 127 5.793 -2.034 -11.728 1.00 0.00 C ATOM 1883 C VAL A 127 5.299 -0.801 -10.981 1.00 0.00 C ATOM 1884 O VAL A 127 5.140 -0.827 -9.777 1.00 0.00 O ATOM 1885 CB VAL A 127 4.720 -3.130 -11.697 1.00 0.00 C ATOM 1886 CG1 VAL A 127 3.336 -2.513 -11.935 1.00 0.00 C ATOM 1887 CG2 VAL A 127 5.011 -4.159 -12.792 1.00 0.00 C ATOM 0 H VAL A 127 7.004 -3.487 -10.725 1.00 0.00 H new ATOM 0 HA VAL A 127 6.006 -1.793 -12.769 1.00 0.00 H new ATOM 0 HB VAL A 127 4.734 -3.617 -10.722 1.00 0.00 H new ATOM 0 HG11 VAL A 127 2.579 -3.297 -11.912 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.125 -1.781 -11.155 1.00 0.00 H new ATOM 0 HG13 VAL A 127 3.319 -2.021 -12.908 1.00 0.00 H new ATOM 0 HG21 VAL A 127 4.249 -4.938 -12.771 1.00 0.00 H new ATOM 0 HG22 VAL A 127 5.001 -3.668 -13.765 1.00 0.00 H new ATOM 0 HG23 VAL A 127 5.991 -4.605 -12.621 1.00 0.00 H new ATOM 1897 N ARG A 128 5.081 0.296 -11.659 1.00 0.00 N ATOM 1898 CA ARG A 128 4.639 1.501 -10.922 1.00 0.00 C ATOM 1899 C ARG A 128 3.134 1.503 -10.790 1.00 0.00 C ATOM 1900 O ARG A 128 2.447 0.959 -11.631 1.00 0.00 O ATOM 1901 CB ARG A 128 5.097 2.752 -11.693 1.00 0.00 C ATOM 1902 CG ARG A 128 5.219 2.442 -13.186 1.00 0.00 C ATOM 1903 CD ARG A 128 3.863 1.991 -13.730 1.00 0.00 C ATOM 1904 NE ARG A 128 3.818 2.220 -15.202 1.00 0.00 N ATOM 1905 CZ ARG A 128 2.806 1.777 -15.899 1.00 0.00 C ATOM 1906 NH1 ARG A 128 2.766 0.527 -16.269 1.00 0.00 N ATOM 1907 NH2 ARG A 128 1.836 2.585 -16.226 1.00 0.00 N ATOM 0 H ARG A 128 5.189 0.403 -12.668 1.00 0.00 H new ATOM 0 HA ARG A 128 5.077 1.501 -9.924 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.384 3.563 -11.540 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.057 3.094 -11.306 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.562 3.326 -13.724 1.00 0.00 H new ATOM 0 HG3 ARG A 128 5.964 1.662 -13.346 1.00 0.00 H new ATOM 0 HD2 ARG A 128 3.704 0.935 -13.510 1.00 0.00 H new ATOM 0 HD3 ARG A 128 3.061 2.543 -13.240 1.00 0.00 H new ATOM 0 HE ARG A 128 4.576 2.722 -15.664 1.00 0.00 H new ATOM 0 HH11 ARG A 128 3.525 -0.105 -16.014 1.00 0.00 H new ATOM 0 HH12 ARG A 128 1.976 0.181 -16.813 1.00 0.00 H new ATOM 0 HH21 ARG A 128 1.868 3.563 -15.938 1.00 0.00 H new ATOM 0 HH22 ARG A 128 1.046 2.239 -16.770 1.00 0.00 H new ATOM 1921 N LEU A 129 2.580 2.089 -9.750 1.00 0.00 N ATOM 1922 CA LEU A 129 1.074 2.033 -9.681 1.00 0.00 C ATOM 1923 C LEU A 129 0.554 3.293 -9.043 1.00 0.00 C ATOM 1924 O LEU A 129 1.287 3.940 -8.320 1.00 0.00 O ATOM 1925 CB LEU A 129 0.660 0.835 -8.808 1.00 0.00 C ATOM 1926 CG LEU A 129 0.472 -0.427 -9.663 1.00 0.00 C ATOM 1927 CD1 LEU A 129 0.891 -1.660 -8.858 1.00 0.00 C ATOM 1928 CD2 LEU A 129 -0.998 -0.568 -10.064 1.00 0.00 C ATOM 0 H LEU A 129 3.062 2.573 -8.992 1.00 0.00 H new ATOM 0 HA LEU A 129 0.666 1.931 -10.687 1.00 0.00 H new ATOM 0 HB2 LEU A 129 1.420 0.654 -8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.267 1.065 -8.284 1.00 0.00 H new ATOM 0 HG LEU A 129 1.088 -0.344 -10.558 1.00 0.00 H new ATOM 0 HD11 LEU A 129 0.757 -2.554 -9.466 1.00 0.00 H new ATOM 0 HD12 LEU A 129 1.939 -1.569 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.276 -1.735 -7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.125 -1.465 -10.670 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -1.614 -0.645 -9.168 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -1.303 0.306 -10.640 1.00 0.00 H new ATOM 1940 N PRO A 130 -0.688 3.647 -9.207 1.00 0.00 N ATOM 1941 CA PRO A 130 -1.180 4.837 -8.492 1.00 0.00 C ATOM 1942 C PRO A 130 -0.983 4.554 -7.003 1.00 0.00 C ATOM 1943 O PRO A 130 -1.113 3.421 -6.587 1.00 0.00 O ATOM 1944 CB PRO A 130 -2.659 4.890 -8.889 1.00 0.00 C ATOM 1945 CG PRO A 130 -2.955 3.714 -9.837 1.00 0.00 C ATOM 1946 CD PRO A 130 -1.655 2.924 -10.068 1.00 0.00 C ATOM 0 HA PRO A 130 -0.685 5.781 -8.718 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -3.291 4.830 -8.003 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.886 5.837 -9.379 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -3.719 3.066 -9.407 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -3.346 4.083 -10.785 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -1.757 1.879 -9.776 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -1.354 2.934 -11.115 1.00 0.00 H new ATOM 1954 N TYR A 131 -0.611 5.506 -6.194 1.00 0.00 N ATOM 1955 CA TYR A 131 -0.366 5.143 -4.765 1.00 0.00 C ATOM 1956 C TYR A 131 -0.800 6.237 -3.802 1.00 0.00 C ATOM 1957 O TYR A 131 -1.205 7.314 -4.195 1.00 0.00 O ATOM 1958 CB TYR A 131 1.132 4.907 -4.581 1.00 0.00 C ATOM 1959 CG TYR A 131 1.876 6.213 -4.744 1.00 0.00 C ATOM 1960 CD1 TYR A 131 1.993 6.795 -6.012 1.00 0.00 C ATOM 1961 CD2 TYR A 131 2.447 6.840 -3.630 1.00 0.00 C ATOM 1962 CE1 TYR A 131 2.683 8.003 -6.165 1.00 0.00 C ATOM 1963 CE2 TYR A 131 3.137 8.049 -3.785 1.00 0.00 C ATOM 1964 CZ TYR A 131 3.255 8.631 -5.052 1.00 0.00 C ATOM 1965 OH TYR A 131 3.933 9.821 -5.204 1.00 0.00 O ATOM 0 H TYR A 131 -0.469 6.485 -6.443 1.00 0.00 H new ATOM 0 HA TYR A 131 -0.952 4.252 -4.542 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.326 4.488 -3.594 1.00 0.00 H new ATOM 0 HB3 TYR A 131 1.488 4.181 -5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 131 1.551 6.312 -6.871 1.00 0.00 H new ATOM 0 HD2 TYR A 131 2.355 6.392 -2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 131 2.774 8.452 -7.143 1.00 0.00 H new ATOM 0 HE2 TYR A 131 3.578 8.532 -2.926 1.00 0.00 H new ATOM 0 HH TYR A 131 4.266 10.121 -4.333 1.00 0.00 H new ATOM 1975 N VAL A 132 -0.682 5.962 -2.524 1.00 0.00 N ATOM 1976 CA VAL A 132 -1.049 6.976 -1.497 1.00 0.00 C ATOM 1977 C VAL A 132 0.201 7.273 -0.673 1.00 0.00 C ATOM 1978 O VAL A 132 1.106 6.465 -0.602 1.00 0.00 O ATOM 1979 CB VAL A 132 -2.161 6.426 -0.600 1.00 0.00 C ATOM 1980 CG1 VAL A 132 -2.461 7.423 0.523 1.00 0.00 C ATOM 1981 CG2 VAL A 132 -3.426 6.211 -1.433 1.00 0.00 C ATOM 0 H VAL A 132 -0.346 5.074 -2.152 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.415 7.889 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 132 -1.838 5.479 -0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -3.253 7.027 1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.562 7.581 1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.782 8.371 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -4.219 5.819 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.743 7.160 -1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.219 5.500 -2.233 1.00 0.00 H new ATOM 1991 N CYS A 133 0.280 8.424 -0.068 1.00 0.00 N ATOM 1992 CA CYS A 133 1.499 8.760 0.725 1.00 0.00 C ATOM 1993 C CYS A 133 1.108 9.344 2.083 1.00 0.00 C ATOM 1994 O CYS A 133 0.317 10.260 2.165 1.00 0.00 O ATOM 1995 CB CYS A 133 2.318 9.793 -0.053 1.00 0.00 C ATOM 1996 SG CYS A 133 3.776 10.271 0.906 1.00 0.00 S ATOM 0 H CYS A 133 -0.441 9.145 -0.086 1.00 0.00 H new ATOM 0 HA CYS A 133 2.084 7.855 0.890 1.00 0.00 H new ATOM 0 HB2 CYS A 133 2.624 9.379 -1.014 1.00 0.00 H new ATOM 0 HB3 CYS A 133 1.707 10.671 -0.264 1.00 0.00 H new ATOM 2001 N LYS A 134 1.674 8.833 3.148 1.00 0.00 N ATOM 2002 CA LYS A 134 1.347 9.375 4.501 1.00 0.00 C ATOM 2003 C LYS A 134 2.480 10.309 4.926 1.00 0.00 C ATOM 2004 O LYS A 134 3.609 10.129 4.525 1.00 0.00 O ATOM 2005 CB LYS A 134 1.232 8.216 5.498 1.00 0.00 C ATOM 2006 CG LYS A 134 2.624 7.651 5.801 1.00 0.00 C ATOM 2007 CD LYS A 134 2.489 6.284 6.476 1.00 0.00 C ATOM 2008 CE LYS A 134 1.749 6.435 7.810 1.00 0.00 C ATOM 2009 NZ LYS A 134 2.185 5.358 8.743 1.00 0.00 N ATOM 0 H LYS A 134 2.346 8.066 3.138 1.00 0.00 H new ATOM 0 HA LYS A 134 0.402 9.917 4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 134 0.762 8.562 6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 134 0.593 7.434 5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.198 7.557 4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.172 8.335 6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 134 1.947 5.598 5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 134 3.476 5.852 6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 134 1.956 7.413 8.244 1.00 0.00 H new ATOM 0 HE3 LYS A 134 0.672 6.378 7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 1.920 5.613 9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 1.723 4.464 8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 3.217 5.244 8.684 1.00 0.00 H new ATOM 2023 N PHE A 135 2.197 11.311 5.719 1.00 0.00 N ATOM 2024 CA PHE A 135 3.293 12.247 6.137 1.00 0.00 C ATOM 2025 C PHE A 135 2.759 13.294 7.116 1.00 0.00 C ATOM 2026 O PHE A 135 1.886 14.074 6.789 1.00 0.00 O ATOM 2027 CB PHE A 135 3.856 12.965 4.907 1.00 0.00 C ATOM 2028 CG PHE A 135 2.751 13.712 4.196 1.00 0.00 C ATOM 2029 CD1 PHE A 135 1.952 13.055 3.254 1.00 0.00 C ATOM 2030 CD2 PHE A 135 2.527 15.065 4.481 1.00 0.00 C ATOM 2031 CE1 PHE A 135 0.929 13.749 2.595 1.00 0.00 C ATOM 2032 CE2 PHE A 135 1.506 15.759 3.822 1.00 0.00 C ATOM 2033 CZ PHE A 135 0.706 15.101 2.880 1.00 0.00 C ATOM 0 H PHE A 135 1.271 11.523 6.092 1.00 0.00 H new ATOM 0 HA PHE A 135 4.076 11.665 6.623 1.00 0.00 H new ATOM 0 HB2 PHE A 135 4.641 13.659 5.208 1.00 0.00 H new ATOM 0 HB3 PHE A 135 4.312 12.242 4.230 1.00 0.00 H new ATOM 0 HD1 PHE A 135 2.124 12.012 3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 135 3.142 15.573 5.209 1.00 0.00 H new ATOM 0 HE1 PHE A 135 0.313 13.241 1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 135 1.335 16.803 4.040 1.00 0.00 H new ATOM 0 HZ PHE A 135 -0.083 15.637 2.373 1.00 0.00 H new