USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 565 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 52 TYR OH : rot 74:sc= 1.33 USER MOD Set 1.2: A 67 CYS SG : rot 69:sc= 2.28 USER MOD Set 2.1: A 21 CYS SG : rot 130:sc= 1.1 USER MOD Set 2.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 7 SER OG : rot 180:sc= 0.433 USER MOD Set 3.2: A 10 GLN : amide:sc= 0.723 K(o=1.2,f=-4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 81:sc= 1.23 USER MOD Single : A 18 ASN : amide:sc= -0.0221 K(o=-0.022,f=-1.1) USER MOD Single : A 22 GLN : amide:sc= 2.16 K(o=2.2,f=-5.9!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.239 USER MOD Single : A 31 THR OG1 : rot -72:sc= 0.775 USER MOD Single : A 32 GLN : amide:sc= 0.871 K(o=0.87,f=-0.083) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 73:sc= 0.098 USER MOD Single : A 43 THR OG1 : rot 72:sc= 0.439 USER MOD Single : A 46 HIS : no HE2:sc= 0.537 K(o=0.54,f=-3.5!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0.933 USER MOD ----------------------------------------------------------------- ATOM 55 N LEU A 6 5.663 -14.238 -4.757 1.00 0.00 N ATOM 56 CA LEU A 6 5.680 -13.337 -3.611 1.00 0.00 C ATOM 57 C LEU A 6 4.354 -13.373 -2.862 1.00 0.00 C ATOM 58 O LEU A 6 3.306 -13.647 -3.448 1.00 0.00 O ATOM 59 CB LEU A 6 5.997 -11.907 -4.065 1.00 0.00 C ATOM 60 CG LEU A 6 7.330 -11.737 -4.805 1.00 0.00 C ATOM 61 CD1 LEU A 6 7.483 -10.301 -5.284 1.00 0.00 C ATOM 62 CD2 LEU A 6 8.476 -12.123 -3.883 1.00 0.00 C ATOM 0 HA LEU A 6 6.461 -13.673 -2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.193 -11.562 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.000 -11.257 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 6 7.347 -12.390 -5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.433 -10.191 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.665 -10.054 -5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.461 -9.627 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.423 -12.002 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.466 -11.481 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.362 -13.163 -3.576 1.00 0.00 H new ATOM 74 N SER A 7 4.406 -13.096 -1.564 1.00 0.00 N ATOM 75 CA SER A 7 3.196 -12.938 -0.765 1.00 0.00 C ATOM 76 C SER A 7 2.523 -11.599 -1.045 1.00 0.00 C ATOM 77 O SER A 7 3.115 -10.713 -1.660 1.00 0.00 O ATOM 78 CB SER A 7 3.523 -13.066 0.710 1.00 0.00 C ATOM 79 OG SER A 7 4.228 -11.955 1.192 1.00 0.00 O ATOM 0 H SER A 7 5.274 -12.976 -1.042 1.00 0.00 H new ATOM 0 HA SER A 7 2.499 -13.729 -1.043 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.599 -13.182 1.277 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.113 -13.968 0.873 1.00 0.00 H new ATOM 0 HG SER A 7 4.418 -12.076 2.146 1.00 0.00 H new ATOM 85 N LEU A 8 1.282 -11.459 -0.589 1.00 0.00 N ATOM 86 CA LEU A 8 0.567 -10.193 -0.689 1.00 0.00 C ATOM 87 C LEU A 8 1.235 -9.116 0.157 1.00 0.00 C ATOM 88 O LEU A 8 1.129 -7.926 -0.139 1.00 0.00 O ATOM 89 CB LEU A 8 -0.895 -10.375 -0.264 1.00 0.00 C ATOM 90 CG LEU A 8 -1.868 -10.711 -1.401 1.00 0.00 C ATOM 91 CD1 LEU A 8 -1.303 -11.836 -2.256 1.00 0.00 C ATOM 92 CD2 LEU A 8 -3.217 -11.103 -0.816 1.00 0.00 C ATOM 0 H LEU A 8 0.751 -12.209 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 8 0.595 -9.869 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.944 -11.169 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.232 -9.460 0.223 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.002 -9.835 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.001 -12.067 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.349 -11.525 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.154 -12.722 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.908 -11.342 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.095 -11.975 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.615 -10.274 -0.231 1.00 0.00 H new ATOM 104 N THR A 9 1.923 -9.541 1.212 1.00 0.00 N ATOM 105 CA THR A 9 2.731 -8.633 2.016 1.00 0.00 C ATOM 106 C THR A 9 3.927 -8.115 1.229 1.00 0.00 C ATOM 107 O THR A 9 4.188 -6.911 1.196 1.00 0.00 O ATOM 108 CB THR A 9 3.232 -9.311 3.305 1.00 0.00 C ATOM 109 OG1 THR A 9 2.113 -9.689 4.116 1.00 0.00 O ATOM 110 CG2 THR A 9 4.128 -8.367 4.091 1.00 0.00 C ATOM 0 H THR A 9 1.937 -10.510 1.530 1.00 0.00 H new ATOM 0 HA THR A 9 2.087 -7.796 2.284 1.00 0.00 H new ATOM 0 HB THR A 9 3.806 -10.196 3.032 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.434 -10.122 4.935 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.472 -8.863 4.998 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.987 -8.089 3.481 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.567 -7.471 4.358 1.00 0.00 H new ATOM 118 N GLN A 10 4.652 -9.028 0.593 1.00 0.00 N ATOM 119 CA GLN A 10 5.814 -8.665 -0.208 1.00 0.00 C ATOM 120 C GLN A 10 5.413 -7.800 -1.397 1.00 0.00 C ATOM 121 O GLN A 10 6.107 -6.844 -1.744 1.00 0.00 O ATOM 122 CB GLN A 10 6.538 -9.920 -0.703 1.00 0.00 C ATOM 123 CG GLN A 10 7.254 -10.695 0.390 1.00 0.00 C ATOM 124 CD GLN A 10 7.812 -12.015 -0.109 1.00 0.00 C ATOM 125 OE1 GLN A 10 7.063 -12.957 -0.389 1.00 0.00 O ATOM 126 NE2 GLN A 10 9.133 -12.095 -0.220 1.00 0.00 N ATOM 0 H GLN A 10 4.454 -10.028 0.617 1.00 0.00 H new ATOM 0 HA GLN A 10 6.488 -8.090 0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.814 -10.577 -1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.263 -9.632 -1.464 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.066 -10.088 0.790 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.562 -10.883 1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.715 -11.293 0.022 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.566 -12.959 -0.547 1.00 0.00 H new ATOM 135 N LEU A 11 4.290 -8.142 -2.019 1.00 0.00 N ATOM 136 CA LEU A 11 3.824 -7.432 -3.205 1.00 0.00 C ATOM 137 C LEU A 11 3.458 -5.991 -2.874 1.00 0.00 C ATOM 138 O LEU A 11 3.843 -5.064 -3.588 1.00 0.00 O ATOM 139 CB LEU A 11 2.623 -8.161 -3.821 1.00 0.00 C ATOM 140 CG LEU A 11 2.954 -9.476 -4.536 1.00 0.00 C ATOM 141 CD1 LEU A 11 1.671 -10.212 -4.897 1.00 0.00 C ATOM 142 CD2 LEU A 11 3.777 -9.185 -5.782 1.00 0.00 C ATOM 0 H LEU A 11 3.685 -8.907 -1.721 1.00 0.00 H new ATOM 0 HA LEU A 11 4.637 -7.414 -3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.900 -8.367 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.138 -7.492 -4.531 1.00 0.00 H new ATOM 0 HG LEU A 11 3.537 -10.113 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.917 -11.145 -5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.109 -10.430 -3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.067 -9.589 -5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.012 -10.121 -6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.207 -8.542 -6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.702 -8.684 -5.498 1.00 0.00 H new ATOM 154 N ILE A 12 2.712 -5.809 -1.791 1.00 0.00 N ATOM 155 CA ILE A 12 2.284 -4.480 -1.370 1.00 0.00 C ATOM 156 C ILE A 12 3.475 -3.621 -0.964 1.00 0.00 C ATOM 157 O ILE A 12 3.571 -2.455 -1.346 1.00 0.00 O ATOM 158 CB ILE A 12 1.290 -4.552 -0.196 1.00 0.00 C ATOM 159 CG1 ILE A 12 -0.045 -5.140 -0.661 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.085 -3.173 0.412 1.00 0.00 C ATOM 161 CD1 ILE A 12 -0.988 -5.483 0.469 1.00 0.00 C ATOM 0 H ILE A 12 2.390 -6.566 -1.188 1.00 0.00 H new ATOM 0 HA ILE A 12 1.787 -4.024 -2.226 1.00 0.00 H new ATOM 0 HB ILE A 12 1.705 -5.207 0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.533 -4.427 -1.325 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.149 -6.039 -1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.380 -3.242 1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.038 -2.791 0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.690 -2.496 -0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.911 -5.894 0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.521 -6.220 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.213 -4.583 1.041 1.00 0.00 H new ATOM 173 N LEU A 13 4.381 -4.205 -0.187 1.00 0.00 N ATOM 174 CA LEU A 13 5.539 -3.478 0.318 1.00 0.00 C ATOM 175 C LEU A 13 6.455 -3.043 -0.819 1.00 0.00 C ATOM 176 O LEU A 13 6.939 -1.912 -0.840 1.00 0.00 O ATOM 177 CB LEU A 13 6.310 -4.342 1.324 1.00 0.00 C ATOM 178 CG LEU A 13 5.587 -4.603 2.651 1.00 0.00 C ATOM 179 CD1 LEU A 13 6.378 -5.595 3.492 1.00 0.00 C ATOM 180 CD2 LEU A 13 5.401 -3.290 3.397 1.00 0.00 C ATOM 0 H LEU A 13 4.335 -5.181 0.107 1.00 0.00 H new ATOM 0 HA LEU A 13 5.181 -2.581 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.536 -5.301 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.264 -3.859 1.537 1.00 0.00 H new ATOM 0 HG LEU A 13 4.606 -5.034 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.856 -5.773 4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.478 -6.535 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.368 -5.189 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.887 -3.477 4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.375 -2.844 3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.807 -2.607 2.789 1.00 0.00 H new ATOM 192 N ILE A 14 6.689 -3.947 -1.763 1.00 0.00 N ATOM 193 CA ILE A 14 7.504 -3.643 -2.933 1.00 0.00 C ATOM 194 C ILE A 14 6.832 -2.595 -3.812 1.00 0.00 C ATOM 195 O ILE A 14 7.495 -1.717 -4.365 1.00 0.00 O ATOM 196 CB ILE A 14 7.782 -4.902 -3.773 1.00 0.00 C ATOM 197 CG1 ILE A 14 8.718 -5.851 -3.018 1.00 0.00 C ATOM 198 CG2 ILE A 14 8.378 -4.523 -5.120 1.00 0.00 C ATOM 199 CD1 ILE A 14 8.819 -7.227 -3.635 1.00 0.00 C ATOM 0 H ILE A 14 6.325 -4.899 -1.741 1.00 0.00 H new ATOM 0 HA ILE A 14 8.451 -3.251 -2.563 1.00 0.00 H new ATOM 0 HB ILE A 14 6.837 -5.417 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 14 9.713 -5.408 -2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.369 -5.949 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 14 8.568 -5.426 -5.701 1.00 0.00 H new ATOM 0 HG22 ILE A 14 7.679 -3.884 -5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.314 -3.987 -4.966 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.499 -7.841 -3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.833 -7.691 -3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 14 9.198 -7.142 -4.654 1.00 0.00 H new ATOM 211 N ARG A 15 5.514 -2.693 -3.938 1.00 0.00 N ATOM 212 CA ARG A 15 4.746 -1.729 -4.718 1.00 0.00 C ATOM 213 C ARG A 15 4.849 -0.331 -4.124 1.00 0.00 C ATOM 214 O ARG A 15 4.963 0.656 -4.850 1.00 0.00 O ATOM 215 CB ARG A 15 3.295 -2.156 -4.889 1.00 0.00 C ATOM 216 CG ARG A 15 2.434 -1.191 -5.688 1.00 0.00 C ATOM 217 CD ARG A 15 2.843 -1.036 -7.106 1.00 0.00 C ATOM 218 NE ARG A 15 1.984 -0.161 -7.890 1.00 0.00 N ATOM 219 CZ ARG A 15 2.189 0.152 -9.184 1.00 0.00 C ATOM 220 NH1 ARG A 15 3.238 -0.303 -9.833 1.00 0.00 N ATOM 221 NH2 ARG A 15 1.318 0.949 -9.778 1.00 0.00 N ATOM 0 H ARG A 15 4.954 -3.430 -3.510 1.00 0.00 H new ATOM 0 HA ARG A 15 5.186 -1.701 -5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.273 -3.130 -5.378 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.851 -2.285 -3.902 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.400 -1.534 -5.656 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.461 -0.214 -5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.861 -0.648 -7.137 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.863 -2.020 -7.575 1.00 0.00 H new ATOM 0 HE ARG A 15 1.170 0.243 -7.427 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.912 -0.903 -9.357 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.378 -0.056 -10.813 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.518 1.309 -9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.446 1.204 -10.757 1.00 0.00 H new ATOM 235 N LEU A 16 4.809 -0.253 -2.798 1.00 0.00 N ATOM 236 CA LEU A 16 4.878 1.028 -2.102 1.00 0.00 C ATOM 237 C LEU A 16 6.323 1.466 -1.897 1.00 0.00 C ATOM 238 O LEU A 16 6.585 2.566 -1.410 1.00 0.00 O ATOM 239 CB LEU A 16 4.150 0.939 -0.756 1.00 0.00 C ATOM 240 CG LEU A 16 2.642 0.671 -0.845 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.050 0.554 0.553 1.00 0.00 C ATOM 242 CD2 LEU A 16 1.971 1.791 -1.624 1.00 0.00 C ATOM 0 H LEU A 16 4.729 -1.063 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 16 4.385 1.778 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.609 0.147 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.306 1.872 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 16 2.470 -0.270 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.979 0.364 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.529 -0.269 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.217 1.483 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.900 1.600 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.141 2.740 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.391 1.837 -2.629 1.00 0.00 H new ATOM 254 N SER A 17 7.257 0.598 -2.271 1.00 0.00 N ATOM 255 CA SER A 17 8.663 0.974 -2.350 1.00 0.00 C ATOM 256 C SER A 17 9.017 1.497 -3.737 1.00 0.00 C ATOM 257 O SER A 17 9.921 2.320 -3.889 1.00 0.00 O ATOM 258 CB SER A 17 9.541 -0.210 -1.992 1.00 0.00 C ATOM 259 OG SER A 17 9.339 -0.635 -0.671 1.00 0.00 O ATOM 0 H SER A 17 7.065 -0.371 -2.524 1.00 0.00 H new ATOM 0 HA SER A 17 8.840 1.777 -1.634 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.333 -1.035 -2.674 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.588 0.061 -2.129 1.00 0.00 H new ATOM 0 HG SER A 17 8.537 -1.196 -0.627 1.00 0.00 H new ATOM 265 N ASN A 18 8.299 1.014 -4.745 1.00 0.00 N ATOM 266 CA ASN A 18 8.523 1.448 -6.120 1.00 0.00 C ATOM 267 C ASN A 18 7.611 2.613 -6.484 1.00 0.00 C ATOM 268 O ASN A 18 7.835 3.301 -7.480 1.00 0.00 O ATOM 269 CB ASN A 18 8.331 0.307 -7.100 1.00 0.00 C ATOM 270 CG ASN A 18 9.399 -0.749 -7.016 1.00 0.00 C ATOM 271 OD1 ASN A 18 10.531 -0.483 -6.597 1.00 0.00 O ATOM 272 ND2 ASN A 18 9.070 -1.925 -7.488 1.00 0.00 N ATOM 0 H ASN A 18 7.557 0.322 -4.636 1.00 0.00 H new ATOM 0 HA ASN A 18 9.558 1.784 -6.187 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.360 -0.155 -6.920 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.309 0.709 -8.113 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.763 -2.673 -7.522 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.121 -2.093 -7.822 1.00 0.00 H new ATOM 279 N ARG A 19 6.583 2.831 -5.670 1.00 0.00 N ATOM 280 CA ARG A 19 5.656 3.935 -5.885 1.00 0.00 C ATOM 281 C ARG A 19 5.394 4.694 -4.589 1.00 0.00 C ATOM 282 O ARG A 19 5.363 4.105 -3.509 1.00 0.00 O ATOM 283 CB ARG A 19 4.358 3.478 -6.535 1.00 0.00 C ATOM 284 CG ARG A 19 4.506 2.944 -7.950 1.00 0.00 C ATOM 285 CD ARG A 19 4.870 3.974 -8.959 1.00 0.00 C ATOM 286 NE ARG A 19 4.922 3.486 -10.327 1.00 0.00 N ATOM 287 CZ ARG A 19 6.004 2.923 -10.899 1.00 0.00 C ATOM 288 NH1 ARG A 19 7.136 2.810 -10.240 1.00 0.00 N ATOM 289 NH2 ARG A 19 5.905 2.510 -12.150 1.00 0.00 N ATOM 0 H ARG A 19 6.371 2.256 -4.854 1.00 0.00 H new ATOM 0 HA ARG A 19 6.133 4.622 -6.585 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.911 2.702 -5.914 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.661 4.316 -6.549 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.267 2.164 -7.953 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.568 2.475 -8.249 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.148 4.789 -8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.842 4.392 -8.699 1.00 0.00 H new ATOM 0 HE ARG A 19 4.079 3.576 -10.894 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.204 3.151 -9.281 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.946 2.381 -10.688 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.026 2.621 -12.656 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.707 2.080 -12.610 1.00 0.00 H new ATOM 303 N GLY A 20 5.207 6.004 -4.705 1.00 0.00 N ATOM 304 CA GLY A 20 5.029 6.859 -3.537 1.00 0.00 C ATOM 305 C GLY A 20 3.884 6.364 -2.664 1.00 0.00 C ATOM 306 O GLY A 20 4.022 6.254 -1.446 1.00 0.00 O ATOM 0 H GLY A 20 5.175 6.498 -5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.950 6.881 -2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.830 7.881 -3.858 1.00 0.00 H new ATOM 310 N CYS A 21 2.752 6.066 -3.292 1.00 0.00 N ATOM 311 CA CYS A 21 1.600 5.525 -2.582 1.00 0.00 C ATOM 312 C CYS A 21 0.584 4.932 -3.549 1.00 0.00 C ATOM 313 O CYS A 21 0.546 5.297 -4.724 1.00 0.00 O ATOM 314 CB CYS A 21 1.024 6.758 -1.884 1.00 0.00 C ATOM 315 SG CYS A 21 0.523 8.086 -3.004 1.00 0.00 S ATOM 0 H CYS A 21 2.608 6.191 -4.294 1.00 0.00 H new ATOM 0 HA CYS A 21 1.860 4.716 -1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.161 6.455 -1.291 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.768 7.147 -1.189 1.00 0.00 H new ATOM 0 HG CYS A 21 -0.681 8.474 -2.706 1.00 0.00 H new ATOM 321 N GLN A 22 -0.238 4.016 -3.049 1.00 0.00 N ATOM 322 CA GLN A 22 -1.214 3.325 -3.883 1.00 0.00 C ATOM 323 C GLN A 22 -2.502 3.053 -3.114 1.00 0.00 C ATOM 324 O GLN A 22 -2.484 2.878 -1.896 1.00 0.00 O ATOM 325 CB GLN A 22 -0.635 2.007 -4.403 1.00 0.00 C ATOM 326 CG GLN A 22 0.539 2.173 -5.352 1.00 0.00 C ATOM 327 CD GLN A 22 0.099 2.512 -6.763 1.00 0.00 C ATOM 328 OE1 GLN A 22 -0.242 1.626 -7.552 1.00 0.00 O ATOM 329 NE2 GLN A 22 0.108 3.799 -7.093 1.00 0.00 N ATOM 0 H GLN A 22 -0.248 3.735 -2.069 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.447 3.973 -4.728 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.318 1.402 -3.553 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.423 1.453 -4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.195 2.960 -4.980 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.123 1.253 -5.368 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.397 4.499 -6.410 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.174 4.087 -8.030 1.00 0.00 H new ATOM 338 N THR A 23 -3.618 3.019 -3.834 1.00 0.00 N ATOM 339 CA THR A 23 -4.911 2.725 -3.228 1.00 0.00 C ATOM 340 C THR A 23 -5.118 1.224 -3.071 1.00 0.00 C ATOM 341 O THR A 23 -4.392 0.423 -3.660 1.00 0.00 O ATOM 342 CB THR A 23 -6.070 3.309 -4.058 1.00 0.00 C ATOM 343 OG1 THR A 23 -6.153 2.623 -5.314 1.00 0.00 O ATOM 344 CG2 THR A 23 -5.852 4.793 -4.310 1.00 0.00 C ATOM 0 H THR A 23 -3.653 3.192 -4.839 1.00 0.00 H new ATOM 0 HA THR A 23 -4.909 3.193 -2.244 1.00 0.00 H new ATOM 0 HB THR A 23 -6.998 3.178 -3.501 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.891 2.994 -5.841 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.681 5.188 -4.898 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.799 5.320 -3.357 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.919 4.936 -4.856 1.00 0.00 H new ATOM 352 N LEU A 24 -6.113 0.850 -2.274 1.00 0.00 N ATOM 353 CA LEU A 24 -6.476 -0.552 -2.109 1.00 0.00 C ATOM 354 C LEU A 24 -6.903 -1.171 -3.433 1.00 0.00 C ATOM 355 O LEU A 24 -6.643 -2.345 -3.695 1.00 0.00 O ATOM 356 CB LEU A 24 -7.594 -0.692 -1.070 1.00 0.00 C ATOM 357 CG LEU A 24 -8.025 -2.132 -0.764 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.835 -2.937 -0.257 1.00 0.00 C ATOM 359 CD2 LEU A 24 -9.146 -2.120 0.266 1.00 0.00 C ATOM 0 H LEU A 24 -6.683 1.499 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.595 -1.089 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.267 -0.223 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.464 -0.136 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.392 -2.603 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.151 -3.958 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.055 -2.951 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.447 -2.479 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.452 -3.143 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.794 -1.645 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.996 -1.563 -0.128 1.00 0.00 H new ATOM 371 N GLU A 25 -7.562 -0.373 -4.267 1.00 0.00 N ATOM 372 CA GLU A 25 -8.017 -0.836 -5.573 1.00 0.00 C ATOM 373 C GLU A 25 -6.847 -1.019 -6.531 1.00 0.00 C ATOM 374 O GLU A 25 -6.825 -1.955 -7.331 1.00 0.00 O ATOM 375 CB GLU A 25 -9.034 0.141 -6.165 1.00 0.00 C ATOM 376 CG GLU A 25 -10.374 0.168 -5.443 1.00 0.00 C ATOM 377 CD GLU A 25 -11.290 1.205 -6.029 1.00 0.00 C ATOM 378 OE1 GLU A 25 -10.868 1.910 -6.916 1.00 0.00 O ATOM 379 OE2 GLU A 25 -12.444 1.221 -5.673 1.00 0.00 O ATOM 0 H GLU A 25 -7.793 0.599 -4.061 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.498 -1.804 -5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.607 1.144 -6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.203 -0.119 -7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.844 -0.813 -5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.215 0.376 -4.385 1.00 0.00 H new ATOM 386 N GLU A 26 -5.874 -0.117 -6.447 1.00 0.00 N ATOM 387 CA GLU A 26 -4.649 -0.237 -7.229 1.00 0.00 C ATOM 388 C GLU A 26 -3.836 -1.451 -6.795 1.00 0.00 C ATOM 389 O GLU A 26 -3.217 -2.121 -7.621 1.00 0.00 O ATOM 390 CB GLU A 26 -3.806 1.034 -7.102 1.00 0.00 C ATOM 391 CG GLU A 26 -4.331 2.220 -7.897 1.00 0.00 C ATOM 392 CD GLU A 26 -3.459 3.430 -7.714 1.00 0.00 C ATOM 393 OE1 GLU A 26 -3.247 3.822 -6.592 1.00 0.00 O ATOM 394 OE2 GLU A 26 -2.912 3.896 -8.687 1.00 0.00 O ATOM 0 H GLU A 26 -5.910 0.705 -5.845 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.931 -0.371 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.750 1.314 -6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.789 0.815 -7.429 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.378 1.960 -8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.348 2.451 -7.580 1.00 0.00 H new ATOM 401 N LEU A 27 -3.840 -1.726 -5.496 1.00 0.00 N ATOM 402 CA LEU A 27 -3.170 -2.906 -4.962 1.00 0.00 C ATOM 403 C LEU A 27 -3.901 -4.182 -5.358 1.00 0.00 C ATOM 404 O LEU A 27 -3.281 -5.229 -5.546 1.00 0.00 O ATOM 405 CB LEU A 27 -3.060 -2.806 -3.434 1.00 0.00 C ATOM 406 CG LEU A 27 -2.095 -1.732 -2.919 1.00 0.00 C ATOM 407 CD1 LEU A 27 -2.205 -1.615 -1.405 1.00 0.00 C ATOM 408 CD2 LEU A 27 -0.673 -2.085 -3.331 1.00 0.00 C ATOM 0 H LEU A 27 -4.300 -1.148 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.168 -2.948 -5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.051 -2.607 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.743 -3.773 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.357 -0.768 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.516 -0.850 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.224 -1.340 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.954 -2.572 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.012 -1.321 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.400 -3.051 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.611 -2.136 -4.418 1.00 0.00 H new ATOM 420 N GLU A 28 -5.219 -4.089 -5.483 1.00 0.00 N ATOM 421 CA GLU A 28 -6.022 -5.195 -5.991 1.00 0.00 C ATOM 422 C GLU A 28 -5.622 -5.556 -7.416 1.00 0.00 C ATOM 423 O GLU A 28 -5.425 -6.727 -7.739 1.00 0.00 O ATOM 424 CB GLU A 28 -7.511 -4.848 -5.935 1.00 0.00 C ATOM 425 CG GLU A 28 -8.434 -5.960 -6.410 1.00 0.00 C ATOM 426 CD GLU A 28 -9.859 -5.489 -6.497 1.00 0.00 C ATOM 427 OE1 GLU A 28 -10.097 -4.331 -6.249 1.00 0.00 O ATOM 428 OE2 GLU A 28 -10.693 -6.255 -6.919 1.00 0.00 O ATOM 0 H GLU A 28 -5.756 -3.257 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.837 -6.060 -5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.773 -4.589 -4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.688 -3.961 -6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.106 -6.315 -7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.370 -6.806 -5.726 1.00 0.00 H new ATOM 435 N GLU A 29 -5.503 -4.542 -8.267 1.00 0.00 N ATOM 436 CA GLU A 29 -5.128 -4.750 -9.660 1.00 0.00 C ATOM 437 C GLU A 29 -3.682 -5.215 -9.778 1.00 0.00 C ATOM 438 O GLU A 29 -3.348 -6.015 -10.652 1.00 0.00 O ATOM 439 CB GLU A 29 -5.335 -3.467 -10.469 1.00 0.00 C ATOM 440 CG GLU A 29 -6.793 -3.083 -10.674 1.00 0.00 C ATOM 441 CD GLU A 29 -6.914 -1.753 -11.366 1.00 0.00 C ATOM 442 OE1 GLU A 29 -5.905 -1.138 -11.614 1.00 0.00 O ATOM 443 OE2 GLU A 29 -8.006 -1.401 -11.747 1.00 0.00 O ATOM 0 H GLU A 29 -5.661 -3.566 -8.015 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.772 -5.531 -10.064 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.823 -2.647 -9.965 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.863 -3.586 -11.444 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.294 -3.850 -11.265 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.300 -3.042 -9.710 1.00 0.00 H new ATOM 450 N PHE A 30 -2.829 -4.711 -8.894 1.00 0.00 N ATOM 451 CA PHE A 30 -1.420 -5.083 -8.889 1.00 0.00 C ATOM 452 C PHE A 30 -1.240 -6.551 -8.521 1.00 0.00 C ATOM 453 O PHE A 30 -0.539 -7.292 -9.211 1.00 0.00 O ATOM 454 CB PHE A 30 -0.636 -4.198 -7.919 1.00 0.00 C ATOM 455 CG PHE A 30 0.822 -4.547 -7.823 1.00 0.00 C ATOM 456 CD1 PHE A 30 1.700 -4.202 -8.840 1.00 0.00 C ATOM 457 CD2 PHE A 30 1.319 -5.221 -6.718 1.00 0.00 C ATOM 458 CE1 PHE A 30 3.043 -4.522 -8.752 1.00 0.00 C ATOM 459 CE2 PHE A 30 2.659 -5.541 -6.627 1.00 0.00 C ATOM 460 CZ PHE A 30 3.521 -5.193 -7.646 1.00 0.00 C ATOM 0 H PHE A 30 -3.090 -4.042 -8.170 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.032 -4.934 -9.897 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.731 -3.158 -8.232 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.084 -4.275 -6.928 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.331 -3.678 -9.710 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.649 -5.499 -5.918 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.717 -4.246 -9.549 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.032 -6.063 -5.758 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.569 -5.446 -7.578 1.00 0.00 H new ATOM 470 N THR A 31 -1.877 -6.966 -7.432 1.00 0.00 N ATOM 471 CA THR A 31 -1.685 -8.308 -6.896 1.00 0.00 C ATOM 472 C THR A 31 -2.641 -9.301 -7.544 1.00 0.00 C ATOM 473 O THR A 31 -2.407 -10.509 -7.518 1.00 0.00 O ATOM 474 CB THR A 31 -1.883 -8.340 -5.369 1.00 0.00 C ATOM 475 OG1 THR A 31 -3.238 -7.993 -5.053 1.00 0.00 O ATOM 476 CG2 THR A 31 -0.940 -7.361 -4.688 1.00 0.00 C ATOM 0 H THR A 31 -2.532 -6.391 -6.902 1.00 0.00 H new ATOM 0 HA THR A 31 -0.659 -8.594 -7.125 1.00 0.00 H new ATOM 0 HB THR A 31 -1.665 -9.346 -5.010 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.374 -7.035 -5.205 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.094 -7.397 -3.610 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.091 -7.630 -4.916 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.140 -6.352 -5.049 1.00 0.00 H new ATOM 484 N GLN A 32 -3.719 -8.785 -8.125 1.00 0.00 N ATOM 485 CA GLN A 32 -4.801 -9.628 -8.618 1.00 0.00 C ATOM 486 C GLN A 32 -5.275 -10.601 -7.546 1.00 0.00 C ATOM 487 O GLN A 32 -5.302 -11.812 -7.762 1.00 0.00 O ATOM 488 CB GLN A 32 -4.351 -10.406 -9.859 1.00 0.00 C ATOM 489 CG GLN A 32 -4.080 -9.535 -11.074 1.00 0.00 C ATOM 490 CD GLN A 32 -5.354 -8.975 -11.680 1.00 0.00 C ATOM 491 OE1 GLN A 32 -6.277 -9.720 -12.017 1.00 0.00 O ATOM 492 NE2 GLN A 32 -5.408 -7.654 -11.825 1.00 0.00 N ATOM 0 H GLN A 32 -3.866 -7.786 -8.266 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.633 -8.976 -8.884 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.447 -10.964 -9.616 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.118 -11.137 -10.114 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.424 -8.712 -10.789 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.550 -10.120 -11.826 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.620 -7.076 -11.532 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.237 -7.219 -12.229 1.00 0.00 H new ATOM 501 N ALA A 33 -5.648 -10.064 -6.390 1.00 0.00 N ATOM 502 CA ALA A 33 -6.001 -10.888 -5.240 1.00 0.00 C ATOM 503 C ALA A 33 -7.194 -10.308 -4.491 1.00 0.00 C ATOM 504 O ALA A 33 -7.608 -9.176 -4.747 1.00 0.00 O ATOM 505 CB ALA A 33 -4.809 -11.037 -4.308 1.00 0.00 C ATOM 0 H ALA A 33 -5.714 -9.060 -6.224 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.284 -11.874 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.089 -11.655 -3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.985 -11.510 -4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.497 -10.054 -3.957 1.00 0.00 H new ATOM 511 N LYS A 34 -7.743 -11.086 -3.566 1.00 0.00 N ATOM 512 CA LYS A 34 -8.917 -10.669 -2.810 1.00 0.00 C ATOM 513 C LYS A 34 -8.680 -9.330 -2.122 1.00 0.00 C ATOM 514 O LYS A 34 -7.719 -9.169 -1.371 1.00 0.00 O ATOM 515 CB LYS A 34 -9.295 -11.731 -1.776 1.00 0.00 C ATOM 516 CG LYS A 34 -10.576 -11.434 -1.009 1.00 0.00 C ATOM 517 CD LYS A 34 -11.794 -11.490 -1.920 1.00 0.00 C ATOM 518 CE LYS A 34 -13.074 -11.204 -1.152 1.00 0.00 C ATOM 519 NZ LYS A 34 -14.273 -11.239 -2.034 1.00 0.00 N ATOM 0 H LYS A 34 -7.392 -12.012 -3.321 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.742 -10.551 -3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.403 -12.691 -2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.476 -11.836 -1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.692 -12.154 -0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.507 -10.447 -0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.681 -10.765 -2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.858 -12.474 -2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.189 -11.937 -0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.001 -10.225 -0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.124 -11.039 -1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.176 -10.522 -2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.358 -12.181 -2.467 1.00 0.00 H new ATOM 533 N ARG A 35 -9.564 -8.373 -2.384 1.00 0.00 N ATOM 534 CA ARG A 35 -9.431 -7.033 -1.821 1.00 0.00 C ATOM 535 C ARG A 35 -9.467 -7.070 -0.299 1.00 0.00 C ATOM 536 O ARG A 35 -8.719 -6.355 0.368 1.00 0.00 O ATOM 537 CB ARG A 35 -10.467 -6.071 -2.380 1.00 0.00 C ATOM 538 CG ARG A 35 -10.299 -4.624 -1.943 1.00 0.00 C ATOM 539 CD ARG A 35 -11.381 -3.716 -2.401 1.00 0.00 C ATOM 540 NE ARG A 35 -11.521 -3.624 -3.846 1.00 0.00 N ATOM 541 CZ ARG A 35 -12.593 -3.112 -4.479 1.00 0.00 C ATOM 542 NH1 ARG A 35 -13.635 -2.678 -3.805 1.00 0.00 N ATOM 543 NH2 ARG A 35 -12.581 -3.077 -5.801 1.00 0.00 N ATOM 0 H ARG A 35 -10.380 -8.500 -2.982 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.455 -6.653 -2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.431 -6.113 -3.469 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.458 -6.413 -2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.248 -4.589 -0.855 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.346 -4.252 -2.318 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.326 -4.056 -1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.194 -2.719 -2.003 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.753 -3.972 -4.420 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.640 -2.726 -2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.439 -2.293 -4.301 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.774 -3.432 -6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.379 -2.695 -6.308 1.00 0.00 H new ATOM 557 N GLU A 36 -10.343 -7.907 0.247 1.00 0.00 N ATOM 558 CA GLU A 36 -10.496 -8.021 1.692 1.00 0.00 C ATOM 559 C GLU A 36 -9.207 -8.503 2.347 1.00 0.00 C ATOM 560 O GLU A 36 -8.798 -7.990 3.388 1.00 0.00 O ATOM 561 CB GLU A 36 -11.647 -8.969 2.036 1.00 0.00 C ATOM 562 CG GLU A 36 -13.030 -8.420 1.716 1.00 0.00 C ATOM 563 CD GLU A 36 -14.099 -9.445 1.979 1.00 0.00 C ATOM 564 OE1 GLU A 36 -13.761 -10.551 2.329 1.00 0.00 O ATOM 565 OE2 GLU A 36 -15.254 -9.092 1.941 1.00 0.00 O ATOM 0 H GLU A 36 -10.959 -8.517 -0.291 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.726 -7.029 2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.506 -9.904 1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.601 -9.207 3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.219 -7.531 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.068 -8.111 0.671 1.00 0.00 H new ATOM 572 N VAL A 37 -8.572 -9.493 1.730 1.00 0.00 N ATOM 573 CA VAL A 37 -7.316 -10.032 2.239 1.00 0.00 C ATOM 574 C VAL A 37 -6.208 -8.990 2.183 1.00 0.00 C ATOM 575 O VAL A 37 -5.390 -8.889 3.099 1.00 0.00 O ATOM 576 CB VAL A 37 -6.875 -11.280 1.451 1.00 0.00 C ATOM 577 CG1 VAL A 37 -5.477 -11.709 1.872 1.00 0.00 C ATOM 578 CG2 VAL A 37 -7.865 -12.417 1.655 1.00 0.00 C ATOM 0 H VAL A 37 -8.907 -9.939 0.876 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.493 -10.314 3.277 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.854 -11.028 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.181 -12.592 1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.774 -10.900 1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.473 -11.943 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.537 -13.290 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.918 -12.668 2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.850 -12.108 1.306 1.00 0.00 H new ATOM 588 N LEU A 38 -6.183 -8.216 1.103 1.00 0.00 N ATOM 589 CA LEU A 38 -5.216 -7.135 0.957 1.00 0.00 C ATOM 590 C LEU A 38 -5.370 -6.104 2.069 1.00 0.00 C ATOM 591 O LEU A 38 -4.380 -5.607 2.608 1.00 0.00 O ATOM 592 CB LEU A 38 -5.372 -6.467 -0.414 1.00 0.00 C ATOM 593 CG LEU A 38 -4.960 -7.331 -1.612 1.00 0.00 C ATOM 594 CD1 LEU A 38 -5.438 -6.689 -2.908 1.00 0.00 C ATOM 595 CD2 LEU A 38 -3.448 -7.501 -1.621 1.00 0.00 C ATOM 0 H LEU A 38 -6.823 -8.318 0.315 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.216 -7.563 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.414 -6.172 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.779 -5.553 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.423 -8.314 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.141 -7.310 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.524 -6.597 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.992 -5.700 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.156 -8.115 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.972 -6.523 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.131 -7.986 -0.698 1.00 0.00 H new ATOM 607 N LEU A 39 -6.615 -5.789 2.408 1.00 0.00 N ATOM 608 CA LEU A 39 -6.900 -4.830 3.469 1.00 0.00 C ATOM 609 C LEU A 39 -6.428 -5.348 4.822 1.00 0.00 C ATOM 610 O LEU A 39 -5.894 -4.593 5.635 1.00 0.00 O ATOM 611 CB LEU A 39 -8.402 -4.518 3.512 1.00 0.00 C ATOM 612 CG LEU A 39 -8.820 -3.470 4.550 1.00 0.00 C ATOM 613 CD1 LEU A 39 -8.124 -2.146 4.266 1.00 0.00 C ATOM 614 CD2 LEU A 39 -10.333 -3.299 4.519 1.00 0.00 C ATOM 0 H LEU A 39 -7.444 -6.184 1.963 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.353 -3.913 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.714 -4.174 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.943 -5.442 3.714 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.524 -3.805 5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.428 -1.409 5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.044 -2.285 4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.401 -1.795 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.630 -2.554 5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.642 -2.970 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.812 -4.250 4.751 1.00 0.00 H new ATOM 626 N VAL A 40 -6.627 -6.641 5.057 1.00 0.00 N ATOM 627 CA VAL A 40 -6.157 -7.278 6.280 1.00 0.00 C ATOM 628 C VAL A 40 -4.640 -7.204 6.392 1.00 0.00 C ATOM 629 O VAL A 40 -4.098 -6.940 7.465 1.00 0.00 O ATOM 630 CB VAL A 40 -6.595 -8.753 6.354 1.00 0.00 C ATOM 631 CG1 VAL A 40 -5.902 -9.458 7.510 1.00 0.00 C ATOM 632 CG2 VAL A 40 -8.106 -8.855 6.499 1.00 0.00 C ATOM 0 H VAL A 40 -7.111 -7.268 4.415 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.607 -6.733 7.110 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.304 -9.244 5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.224 -10.499 7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.822 -9.417 7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.163 -8.964 8.446 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.397 -9.904 6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.419 -8.347 7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.586 -8.387 5.640 1.00 0.00 H new ATOM 642 N THR A 41 -3.958 -7.438 5.276 1.00 0.00 N ATOM 643 CA THR A 41 -2.505 -7.319 5.227 1.00 0.00 C ATOM 644 C THR A 41 -2.058 -5.895 5.532 1.00 0.00 C ATOM 645 O THR A 41 -1.101 -5.680 6.275 1.00 0.00 O ATOM 646 CB THR A 41 -1.950 -7.735 3.852 1.00 0.00 C ATOM 647 OG1 THR A 41 -2.252 -9.116 3.611 1.00 0.00 O ATOM 648 CG2 THR A 41 -0.443 -7.534 3.801 1.00 0.00 C ATOM 0 H THR A 41 -4.388 -7.711 4.393 1.00 0.00 H new ATOM 0 HA THR A 41 -2.110 -7.992 5.988 1.00 0.00 H new ATOM 0 HB THR A 41 -2.415 -7.114 3.086 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.208 -9.213 3.418 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.069 -7.833 2.822 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.210 -6.483 3.973 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.031 -8.141 4.572 1.00 0.00 H new ATOM 656 N LEU A 42 -2.758 -4.923 4.955 1.00 0.00 N ATOM 657 CA LEU A 42 -2.455 -3.517 5.193 1.00 0.00 C ATOM 658 C LEU A 42 -2.656 -3.150 6.657 1.00 0.00 C ATOM 659 O LEU A 42 -1.878 -2.384 7.228 1.00 0.00 O ATOM 660 CB LEU A 42 -3.328 -2.630 4.297 1.00 0.00 C ATOM 661 CG LEU A 42 -2.974 -2.661 2.804 1.00 0.00 C ATOM 662 CD1 LEU A 42 -4.085 -2.010 1.991 1.00 0.00 C ATOM 663 CD2 LEU A 42 -1.650 -1.945 2.579 1.00 0.00 C ATOM 0 H LEU A 42 -3.539 -5.084 4.319 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.407 -3.350 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.368 -2.935 4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.256 -1.601 4.650 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.872 -3.695 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.825 -2.037 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.017 -2.552 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.209 -0.975 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.400 -1.968 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.735 -0.910 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.865 -2.444 3.148 1.00 0.00 H new ATOM 675 N THR A 43 -3.702 -3.701 7.262 1.00 0.00 N ATOM 676 CA THR A 43 -3.996 -3.448 8.668 1.00 0.00 C ATOM 677 C THR A 43 -2.927 -4.046 9.571 1.00 0.00 C ATOM 678 O THR A 43 -2.465 -3.404 10.515 1.00 0.00 O ATOM 679 CB THR A 43 -5.370 -4.015 9.069 1.00 0.00 C ATOM 680 OG1 THR A 43 -6.399 -3.362 8.316 1.00 0.00 O ATOM 681 CG2 THR A 43 -5.621 -3.801 10.554 1.00 0.00 C ATOM 0 H THR A 43 -4.362 -4.327 6.800 1.00 0.00 H new ATOM 0 HA THR A 43 -4.009 -2.366 8.796 1.00 0.00 H new ATOM 0 HB THR A 43 -5.380 -5.084 8.858 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.366 -3.666 7.385 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.597 -4.208 10.820 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.847 -4.308 11.131 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.600 -2.734 10.777 1.00 0.00 H new ATOM 689 N ARG A 44 -2.534 -5.280 9.277 1.00 0.00 N ATOM 690 CA ARG A 44 -1.538 -5.981 10.080 1.00 0.00 C ATOM 691 C ARG A 44 -0.171 -5.323 9.959 1.00 0.00 C ATOM 692 O ARG A 44 0.607 -5.305 10.914 1.00 0.00 O ATOM 693 CB ARG A 44 -1.474 -7.465 9.748 1.00 0.00 C ATOM 694 CG ARG A 44 -2.661 -8.281 10.233 1.00 0.00 C ATOM 695 CD ARG A 44 -2.612 -9.717 9.855 1.00 0.00 C ATOM 696 NE ARG A 44 -3.717 -10.513 10.367 1.00 0.00 N ATOM 697 CZ ARG A 44 -3.913 -11.816 10.091 1.00 0.00 C ATOM 698 NH1 ARG A 44 -3.106 -12.466 9.281 1.00 0.00 N ATOM 699 NH2 ARG A 44 -4.953 -12.420 10.637 1.00 0.00 N ATOM 0 H ARG A 44 -2.891 -5.817 8.487 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.854 -5.905 11.120 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.392 -7.577 8.667 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.564 -7.881 10.182 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.720 -8.205 11.319 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.576 -7.843 9.833 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.599 -9.793 8.768 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.676 -10.143 10.216 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.391 -10.051 10.978 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.317 -11.983 8.851 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.269 -13.453 9.083 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.582 -11.900 11.249 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.128 -13.407 10.447 1.00 0.00 H new ATOM 713 N LEU A 45 0.119 -4.781 8.781 1.00 0.00 N ATOM 714 CA LEU A 45 1.332 -4.000 8.573 1.00 0.00 C ATOM 715 C LEU A 45 1.237 -2.642 9.256 1.00 0.00 C ATOM 716 O LEU A 45 2.237 -2.107 9.737 1.00 0.00 O ATOM 717 CB LEU A 45 1.600 -3.826 7.073 1.00 0.00 C ATOM 718 CG LEU A 45 2.027 -5.100 6.332 1.00 0.00 C ATOM 719 CD1 LEU A 45 2.058 -4.845 4.831 1.00 0.00 C ATOM 720 CD2 LEU A 45 3.392 -5.544 6.834 1.00 0.00 C ATOM 0 H LEU A 45 -0.471 -4.869 7.954 1.00 0.00 H new ATOM 0 HA LEU A 45 2.165 -4.543 9.021 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.697 -3.437 6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.377 -3.073 6.944 1.00 0.00 H new ATOM 0 HG LEU A 45 1.307 -5.895 6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.362 -5.755 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.065 -4.549 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.769 -4.048 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.696 -6.449 6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.121 -4.755 6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.338 -5.747 7.904 1.00 0.00 H new ATOM 732 N HIS A 46 0.029 -2.089 9.298 1.00 0.00 N ATOM 733 CA HIS A 46 -0.211 -0.827 9.986 1.00 0.00 C ATOM 734 C HIS A 46 0.042 -0.958 11.483 1.00 0.00 C ATOM 735 O HIS A 46 0.551 -0.035 12.118 1.00 0.00 O ATOM 736 CB HIS A 46 -1.643 -0.339 9.738 1.00 0.00 C ATOM 737 CG HIS A 46 -1.927 1.011 10.318 1.00 0.00 C ATOM 738 ND1 HIS A 46 -1.318 2.160 9.861 1.00 0.00 N ATOM 739 CD2 HIS A 46 -2.756 1.395 11.319 1.00 0.00 C ATOM 740 CE1 HIS A 46 -1.760 3.194 10.556 1.00 0.00 C ATOM 741 NE2 HIS A 46 -2.633 2.757 11.445 1.00 0.00 N ATOM 0 H HIS A 46 -0.799 -2.496 8.863 1.00 0.00 H new ATOM 0 HA HIS A 46 0.487 -0.094 9.583 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.826 -0.309 8.664 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.342 -1.061 10.161 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -0.634 2.205 9.106 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.393 0.751 11.907 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.458 4.222 10.420 1.00 0.00 H new ATOM 749 N GLN A 47 -0.317 -2.110 12.039 1.00 0.00 N ATOM 750 CA GLN A 47 -0.123 -2.366 13.462 1.00 0.00 C ATOM 751 C GLN A 47 1.351 -2.302 13.837 1.00 0.00 C ATOM 752 O GLN A 47 1.700 -1.949 14.963 1.00 0.00 O ATOM 753 CB GLN A 47 -0.696 -3.735 13.842 1.00 0.00 C ATOM 754 CG GLN A 47 -2.213 -3.793 13.857 1.00 0.00 C ATOM 755 CD GLN A 47 -2.736 -5.185 14.156 1.00 0.00 C ATOM 756 OE1 GLN A 47 -1.962 -6.128 14.335 1.00 0.00 O ATOM 757 NE2 GLN A 47 -4.057 -5.322 14.206 1.00 0.00 N ATOM 0 H GLN A 47 -0.744 -2.881 11.526 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.653 -1.590 14.014 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.322 -4.480 13.140 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.323 -4.011 14.828 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.593 -3.097 14.605 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.596 -3.464 12.891 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.660 -4.514 14.052 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.468 -6.235 14.399 1.00 0.00 H new ATOM 766 N ARG A 48 2.213 -2.649 12.888 1.00 0.00 N ATOM 767 CA ARG A 48 3.653 -2.647 13.122 1.00 0.00 C ATOM 768 C ARG A 48 4.283 -1.336 12.671 1.00 0.00 C ATOM 769 O ARG A 48 5.499 -1.159 12.756 1.00 0.00 O ATOM 770 CB ARG A 48 4.341 -3.845 12.484 1.00 0.00 C ATOM 771 CG ARG A 48 3.938 -5.194 13.057 1.00 0.00 C ATOM 772 CD ARG A 48 4.327 -5.397 14.475 1.00 0.00 C ATOM 773 NE ARG A 48 5.757 -5.330 14.724 1.00 0.00 N ATOM 774 CZ ARG A 48 6.324 -5.342 15.947 1.00 0.00 C ATOM 775 NH1 ARG A 48 5.586 -5.377 17.034 1.00 0.00 N ATOM 776 NH2 ARG A 48 7.642 -5.289 16.025 1.00 0.00 N ATOM 0 H ARG A 48 1.940 -2.936 11.948 1.00 0.00 H new ATOM 0 HA ARG A 48 3.802 -2.736 14.198 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.127 -3.842 11.415 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.419 -3.727 12.594 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.857 -5.304 12.970 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.389 -5.981 12.453 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.829 -4.644 15.086 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.959 -6.369 14.804 1.00 0.00 H new ATOM 0 HE ARG A 48 6.376 -5.270 13.916 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.569 -5.396 16.960 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.030 -5.386 17.952 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.202 -5.241 15.174 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.100 -5.296 16.937 1.00 0.00 H new ATOM 790 N GLY A 49 3.450 -0.419 12.192 1.00 0.00 N ATOM 791 CA GLY A 49 3.914 0.906 11.796 1.00 0.00 C ATOM 792 C GLY A 49 4.659 0.854 10.468 1.00 0.00 C ATOM 793 O GLY A 49 5.543 1.670 10.210 1.00 0.00 O ATOM 0 H GLY A 49 2.449 -0.569 12.068 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.063 1.582 11.713 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.569 1.311 12.568 1.00 0.00 H new ATOM 797 N VAL A 50 4.295 -0.110 9.629 1.00 0.00 N ATOM 798 CA VAL A 50 4.955 -0.294 8.342 1.00 0.00 C ATOM 799 C VAL A 50 4.276 0.526 7.252 1.00 0.00 C ATOM 800 O VAL A 50 4.926 1.297 6.546 1.00 0.00 O ATOM 801 CB VAL A 50 4.971 -1.775 7.921 1.00 0.00 C ATOM 802 CG1 VAL A 50 5.632 -1.937 6.560 1.00 0.00 C ATOM 803 CG2 VAL A 50 5.690 -2.618 8.965 1.00 0.00 C ATOM 0 H VAL A 50 3.546 -0.776 9.818 1.00 0.00 H new ATOM 0 HA VAL A 50 5.982 0.050 8.465 1.00 0.00 H new ATOM 0 HB VAL A 50 3.940 -2.122 7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.634 -2.990 6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.078 -1.364 5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.658 -1.573 6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.692 -3.662 8.651 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.717 -2.269 9.070 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.176 -2.528 9.922 1.00 0.00 H new ATOM 813 N ILE A 51 2.965 0.353 7.118 1.00 0.00 N ATOM 814 CA ILE A 51 2.187 1.119 6.154 1.00 0.00 C ATOM 815 C ILE A 51 1.127 1.965 6.847 1.00 0.00 C ATOM 816 O ILE A 51 0.428 1.489 7.742 1.00 0.00 O ATOM 817 CB ILE A 51 1.504 0.202 5.123 1.00 0.00 C ATOM 818 CG1 ILE A 51 2.554 -0.572 4.319 1.00 0.00 C ATOM 819 CG2 ILE A 51 0.611 1.013 4.197 1.00 0.00 C ATOM 820 CD1 ILE A 51 1.969 -1.633 3.415 1.00 0.00 C ATOM 0 H ILE A 51 2.420 -0.312 7.666 1.00 0.00 H new ATOM 0 HA ILE A 51 2.888 1.774 5.636 1.00 0.00 H new ATOM 0 HB ILE A 51 0.881 -0.516 5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.127 0.132 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.254 -1.042 5.010 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.137 0.348 3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.156 1.519 4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.212 1.753 3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.773 -2.138 2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.420 -2.359 4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.292 -1.168 2.699 1.00 0.00 H new ATOM 832 N TYR A 52 1.011 3.220 6.429 1.00 0.00 N ATOM 833 CA TYR A 52 -0.009 4.116 6.962 1.00 0.00 C ATOM 834 C TYR A 52 -0.966 4.573 5.869 1.00 0.00 C ATOM 835 O TYR A 52 -0.690 4.410 4.680 1.00 0.00 O ATOM 836 CB TYR A 52 0.640 5.328 7.634 1.00 0.00 C ATOM 837 CG TYR A 52 1.385 6.232 6.677 1.00 0.00 C ATOM 838 CD1 TYR A 52 2.722 6.011 6.385 1.00 0.00 C ATOM 839 CD2 TYR A 52 0.750 7.307 6.072 1.00 0.00 C ATOM 840 CE1 TYR A 52 3.408 6.833 5.513 1.00 0.00 C ATOM 841 CE2 TYR A 52 1.426 8.136 5.197 1.00 0.00 C ATOM 842 CZ TYR A 52 2.757 7.895 4.921 1.00 0.00 C ATOM 843 OH TYR A 52 3.435 8.718 4.052 1.00 0.00 O ATOM 0 H TYR A 52 1.612 3.641 5.721 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.582 3.563 7.707 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.132 5.908 8.140 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.331 4.979 8.402 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.236 5.181 6.848 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.290 7.499 6.289 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.449 6.645 5.296 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.916 8.967 4.732 1.00 0.00 H new ATOM 0 HH TYR A 52 3.573 8.252 3.201 1.00 0.00 H new ATOM 853 N ARG A 53 -2.093 5.147 6.278 1.00 0.00 N ATOM 854 CA ARG A 53 -3.147 5.517 5.343 1.00 0.00 C ATOM 855 C ARG A 53 -3.433 7.012 5.398 1.00 0.00 C ATOM 856 O ARG A 53 -3.258 7.650 6.437 1.00 0.00 O ATOM 857 CB ARG A 53 -4.413 4.700 5.552 1.00 0.00 C ATOM 858 CG ARG A 53 -5.140 4.971 6.859 1.00 0.00 C ATOM 859 CD ARG A 53 -6.214 3.994 7.175 1.00 0.00 C ATOM 860 NE ARG A 53 -6.914 4.252 8.424 1.00 0.00 N ATOM 861 CZ ARG A 53 -7.779 3.399 9.007 1.00 0.00 C ATOM 862 NH1 ARG A 53 -8.083 2.251 8.441 1.00 0.00 N ATOM 863 NH2 ARG A 53 -8.333 3.757 10.152 1.00 0.00 N ATOM 0 H ARG A 53 -2.299 5.366 7.253 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.783 5.283 4.342 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.096 4.897 4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.156 3.642 5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.414 4.971 7.672 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.574 5.970 6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.938 3.993 6.360 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.779 2.995 7.216 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.738 5.141 8.891 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.662 1.995 7.548 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.740 1.616 8.895 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.102 4.658 10.571 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.992 3.132 10.617 1.00 0.00 H new ATOM 877 N LYS A 54 -3.874 7.568 4.274 1.00 0.00 N ATOM 878 CA LYS A 54 -4.168 8.993 4.188 1.00 0.00 C ATOM 879 C LYS A 54 -5.334 9.260 3.246 1.00 0.00 C ATOM 880 O LYS A 54 -5.683 8.416 2.419 1.00 0.00 O ATOM 881 CB LYS A 54 -2.931 9.767 3.727 1.00 0.00 C ATOM 882 CG LYS A 54 -2.444 9.401 2.331 1.00 0.00 C ATOM 883 CD LYS A 54 -1.175 10.157 1.972 1.00 0.00 C ATOM 884 CE LYS A 54 -0.678 9.780 0.583 1.00 0.00 C ATOM 885 NZ LYS A 54 0.516 10.573 0.185 1.00 0.00 N ATOM 0 H LYS A 54 -4.036 7.052 3.409 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.450 9.336 5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.154 10.834 3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.123 9.593 4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.258 8.328 2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.222 9.626 1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.365 11.230 2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.401 9.941 2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.432 8.718 0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.476 9.937 -0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.822 10.286 -0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.275 11.585 0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.287 10.404 0.863 1.00 0.00 H new ATOM 899 N TRP A 55 -5.935 10.438 3.373 1.00 0.00 N ATOM 900 CA TRP A 55 -7.090 10.801 2.559 1.00 0.00 C ATOM 901 C TRP A 55 -6.807 12.048 1.730 1.00 0.00 C ATOM 902 O TRP A 55 -6.338 13.059 2.250 1.00 0.00 O ATOM 903 CB TRP A 55 -8.316 11.029 3.446 1.00 0.00 C ATOM 904 CG TRP A 55 -8.872 9.765 4.031 1.00 0.00 C ATOM 905 CD1 TRP A 55 -9.898 9.019 3.532 1.00 0.00 C ATOM 906 CD2 TRP A 55 -8.436 9.104 5.224 1.00 0.00 C ATOM 907 NE1 TRP A 55 -10.128 7.933 4.339 1.00 0.00 N ATOM 908 CE2 TRP A 55 -9.241 7.962 5.386 1.00 0.00 C ATOM 909 CE3 TRP A 55 -7.439 9.367 6.172 1.00 0.00 C ATOM 910 CZ2 TRP A 55 -9.086 7.087 6.450 1.00 0.00 C ATOM 911 CZ3 TRP A 55 -7.282 8.489 7.238 1.00 0.00 C ATOM 912 CH2 TRP A 55 -8.082 7.383 7.373 1.00 0.00 C ATOM 0 H TRP A 55 -5.641 11.159 4.032 1.00 0.00 H new ATOM 0 HA TRP A 55 -7.293 9.975 1.877 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.048 11.708 4.256 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -9.092 11.522 2.860 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -10.450 9.249 2.632 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -10.842 7.221 4.186 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.804 10.236 6.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -9.714 6.215 6.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.515 8.681 7.974 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.931 6.724 8.215 1.00 0.00 H new ATOM 923 N ARG A 56 -7.096 11.967 0.434 1.00 0.00 N ATOM 924 CA ARG A 56 -6.884 13.092 -0.468 1.00 0.00 C ATOM 925 C ARG A 56 -8.066 13.269 -1.413 1.00 0.00 C ATOM 926 O ARG A 56 -8.687 12.294 -1.837 1.00 0.00 O ATOM 927 CB ARG A 56 -5.574 12.976 -1.231 1.00 0.00 C ATOM 928 CG ARG A 56 -4.324 13.041 -0.369 1.00 0.00 C ATOM 929 CD ARG A 56 -4.061 14.375 0.229 1.00 0.00 C ATOM 930 NE ARG A 56 -2.803 14.473 0.954 1.00 0.00 N ATOM 931 CZ ARG A 56 -2.637 14.139 2.249 1.00 0.00 C ATOM 932 NH1 ARG A 56 -3.652 13.724 2.975 1.00 0.00 N ATOM 933 NH2 ARG A 56 -1.434 14.266 2.777 1.00 0.00 N ATOM 0 H ARG A 56 -7.477 11.134 -0.014 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.811 13.988 0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.572 12.034 -1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.529 13.775 -1.971 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.411 12.308 0.433 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.465 12.751 -0.974 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.068 15.123 -0.564 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.877 14.622 0.908 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.989 14.819 0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.581 13.651 2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.511 13.475 3.954 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.661 14.609 2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.278 14.021 3.755 1.00 0.00 H new ATOM 947 N HIS A 57 -8.373 14.519 -1.739 1.00 0.00 N ATOM 948 CA HIS A 57 -9.490 14.827 -2.625 1.00 0.00 C ATOM 949 C HIS A 57 -9.025 14.986 -4.066 1.00 0.00 C ATOM 950 O HIS A 57 -8.199 15.844 -4.372 1.00 0.00 O ATOM 951 CB HIS A 57 -10.209 16.101 -2.165 1.00 0.00 C ATOM 952 CG HIS A 57 -10.870 15.969 -0.828 1.00 0.00 C ATOM 953 ND1 HIS A 57 -12.082 15.332 -0.657 1.00 0.00 N ATOM 954 CD2 HIS A 57 -10.491 16.392 0.400 1.00 0.00 C ATOM 955 CE1 HIS A 57 -12.418 15.369 0.620 1.00 0.00 C ATOM 956 NE2 HIS A 57 -11.470 16.007 1.282 1.00 0.00 N ATOM 0 H HIS A 57 -7.864 15.337 -1.403 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.187 13.990 -2.580 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.490 16.919 -2.126 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.960 16.372 -2.907 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.587 16.932 0.641 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.315 14.949 1.050 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -11.466 16.185 2.286 1.00 0.00 H new ATOM 964 N PHE A 58 -9.560 14.148 -4.950 1.00 0.00 N ATOM 965 CA PHE A 58 -9.260 14.244 -6.373 1.00 0.00 C ATOM 966 C PHE A 58 -10.518 14.533 -7.183 1.00 0.00 C ATOM 967 O PHE A 58 -11.460 13.740 -7.190 1.00 0.00 O ATOM 968 CB PHE A 58 -8.600 12.955 -6.868 1.00 0.00 C ATOM 969 CG PHE A 58 -7.276 12.666 -6.222 1.00 0.00 C ATOM 970 CD1 PHE A 58 -6.105 13.200 -6.738 1.00 0.00 C ATOM 971 CD2 PHE A 58 -7.198 11.860 -5.096 1.00 0.00 C ATOM 972 CE1 PHE A 58 -4.885 12.934 -6.146 1.00 0.00 C ATOM 973 CE2 PHE A 58 -5.979 11.594 -4.501 1.00 0.00 C ATOM 974 CZ PHE A 58 -4.824 12.131 -5.025 1.00 0.00 C ATOM 0 H PHE A 58 -10.203 13.395 -4.705 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.567 15.074 -6.513 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -9.274 12.119 -6.684 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.461 13.020 -7.947 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.147 13.831 -7.613 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.100 11.436 -4.680 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.980 13.354 -6.560 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.932 10.965 -3.625 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.872 11.924 -4.559 1.00 0.00 H new ATOM 984 N SER A 59 -10.527 15.673 -7.866 1.00 0.00 N ATOM 985 CA SER A 59 -11.716 16.131 -8.576 1.00 0.00 C ATOM 986 C SER A 59 -12.886 16.327 -7.621 1.00 0.00 C ATOM 987 O SER A 59 -14.046 16.199 -8.012 1.00 0.00 O ATOM 988 CB SER A 59 -12.083 15.146 -9.668 1.00 0.00 C ATOM 989 OG SER A 59 -11.047 14.975 -10.595 1.00 0.00 O ATOM 0 H SER A 59 -9.724 16.297 -7.943 1.00 0.00 H new ATOM 0 HA SER A 59 -11.490 17.096 -9.030 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.330 14.184 -9.219 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.977 15.495 -10.185 1.00 0.00 H new ATOM 0 HG SER A 59 -11.324 14.331 -11.280 1.00 0.00 H new ATOM 995 N GLY A 60 -12.575 16.636 -6.367 1.00 0.00 N ATOM 996 CA GLY A 60 -13.601 16.915 -5.369 1.00 0.00 C ATOM 997 C GLY A 60 -14.109 15.628 -4.730 1.00 0.00 C ATOM 998 O GLY A 60 -15.057 15.646 -3.945 1.00 0.00 O ATOM 0 H GLY A 60 -11.619 16.700 -6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.195 17.571 -4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.431 17.446 -5.835 1.00 0.00 H new ATOM 1002 N ARG A 61 -13.472 14.512 -5.070 1.00 0.00 N ATOM 1003 CA ARG A 61 -13.870 13.212 -4.544 1.00 0.00 C ATOM 1004 C ARG A 61 -12.817 12.658 -3.593 1.00 0.00 C ATOM 1005 O ARG A 61 -11.626 12.643 -3.910 1.00 0.00 O ATOM 1006 CB ARG A 61 -14.199 12.221 -5.649 1.00 0.00 C ATOM 1007 CG ARG A 61 -15.431 12.564 -6.471 1.00 0.00 C ATOM 1008 CD ARG A 61 -15.706 11.623 -7.587 1.00 0.00 C ATOM 1009 NE ARG A 61 -16.916 11.916 -8.339 1.00 0.00 N ATOM 1010 CZ ARG A 61 -17.359 11.193 -9.386 1.00 0.00 C ATOM 1011 NH1 ARG A 61 -16.680 10.160 -9.832 1.00 0.00 N ATOM 1012 NH2 ARG A 61 -18.486 11.566 -9.969 1.00 0.00 N ATOM 0 H ARG A 61 -12.677 14.482 -5.708 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.788 13.364 -3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.342 12.148 -6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.340 11.236 -5.204 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -16.298 12.589 -5.811 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.313 13.568 -6.879 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.857 11.632 -8.271 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.780 10.613 -7.184 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.468 12.725 -8.054 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.803 9.894 -9.384 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.030 9.624 -10.626 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.994 12.381 -9.624 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.848 11.039 -10.764 1.00 0.00 H new ATOM 1026 N LYS A 62 -13.261 12.202 -2.426 1.00 0.00 N ATOM 1027 CA LYS A 62 -12.350 11.720 -1.395 1.00 0.00 C ATOM 1028 C LYS A 62 -11.885 10.299 -1.692 1.00 0.00 C ATOM 1029 O LYS A 62 -12.699 9.388 -1.837 1.00 0.00 O ATOM 1030 CB LYS A 62 -13.018 11.779 -0.021 1.00 0.00 C ATOM 1031 CG LYS A 62 -12.067 11.566 1.150 1.00 0.00 C ATOM 1032 CD LYS A 62 -12.755 11.843 2.479 1.00 0.00 C ATOM 1033 CE LYS A 62 -13.604 10.660 2.921 1.00 0.00 C ATOM 1034 NZ LYS A 62 -14.231 10.892 4.249 1.00 0.00 N ATOM 0 H LYS A 62 -14.248 12.156 -2.171 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.475 12.371 -1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.503 12.748 0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.802 11.023 0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.695 10.542 1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.202 12.221 1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.006 12.060 3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.383 12.730 2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.382 10.474 2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.984 9.764 2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.801 10.063 4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.489 11.044 4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.843 11.732 4.202 1.00 0.00 H new ATOM 1048 N TYR A 63 -10.572 10.120 -1.779 1.00 0.00 N ATOM 1049 CA TYR A 63 -9.991 8.793 -1.955 1.00 0.00 C ATOM 1050 C TYR A 63 -8.983 8.483 -0.856 1.00 0.00 C ATOM 1051 O TYR A 63 -8.338 9.384 -0.320 1.00 0.00 O ATOM 1052 CB TYR A 63 -9.322 8.680 -3.327 1.00 0.00 C ATOM 1053 CG TYR A 63 -10.287 8.776 -4.489 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -10.947 7.652 -4.961 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -10.532 9.991 -5.112 1.00 0.00 C ATOM 1056 CE1 TYR A 63 -11.829 7.734 -6.021 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -11.412 10.086 -6.172 1.00 0.00 C ATOM 1058 CZ TYR A 63 -12.058 8.954 -6.625 1.00 0.00 C ATOM 1059 OH TYR A 63 -12.934 9.041 -7.681 1.00 0.00 O ATOM 0 H TYR A 63 -9.889 10.876 -1.731 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.799 8.064 -1.892 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.575 9.468 -3.422 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.792 7.729 -3.385 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.769 6.696 -4.492 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.026 10.878 -4.762 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -12.336 6.849 -6.375 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.593 11.041 -6.644 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.982 9.970 -7.990 1.00 0.00 H new ATOM 1069 N ARG A 64 -8.853 7.202 -0.523 1.00 0.00 N ATOM 1070 CA ARG A 64 -7.922 6.770 0.511 1.00 0.00 C ATOM 1071 C ARG A 64 -6.710 6.074 -0.095 1.00 0.00 C ATOM 1072 O ARG A 64 -6.850 5.175 -0.924 1.00 0.00 O ATOM 1073 CB ARG A 64 -8.595 5.902 1.564 1.00 0.00 C ATOM 1074 CG ARG A 64 -7.731 5.576 2.771 1.00 0.00 C ATOM 1075 CD ARG A 64 -8.418 4.777 3.818 1.00 0.00 C ATOM 1076 NE ARG A 64 -8.573 3.368 3.496 1.00 0.00 N ATOM 1077 CZ ARG A 64 -9.721 2.802 3.073 1.00 0.00 C ATOM 1078 NH1 ARG A 64 -10.823 3.510 2.958 1.00 0.00 N ATOM 1079 NH2 ARG A 64 -9.717 1.509 2.801 1.00 0.00 N ATOM 0 H ARG A 64 -9.382 6.445 -0.956 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.571 7.667 1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.498 6.407 1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.910 4.968 1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.849 5.031 2.435 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.380 6.508 3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.859 4.864 4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.404 5.207 3.997 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.756 2.766 3.597 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.818 4.503 3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.683 3.066 2.636 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.860 0.967 2.913 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.571 1.053 2.479 1.00 0.00 H new ATOM 1093 N GLU A 65 -5.521 6.494 0.324 1.00 0.00 N ATOM 1094 CA GLU A 65 -4.282 5.945 -0.212 1.00 0.00 C ATOM 1095 C GLU A 65 -3.425 5.338 0.891 1.00 0.00 C ATOM 1096 O GLU A 65 -3.472 5.777 2.039 1.00 0.00 O ATOM 1097 CB GLU A 65 -3.494 7.028 -0.955 1.00 0.00 C ATOM 1098 CG GLU A 65 -4.192 7.581 -2.188 1.00 0.00 C ATOM 1099 CD GLU A 65 -3.370 8.652 -2.847 1.00 0.00 C ATOM 1100 OE1 GLU A 65 -2.366 9.029 -2.294 1.00 0.00 O ATOM 1101 OE2 GLU A 65 -3.682 9.014 -3.957 1.00 0.00 O ATOM 0 H GLU A 65 -5.390 7.214 1.034 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.544 5.153 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.293 7.850 -0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.529 6.618 -1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.377 6.774 -2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.164 7.987 -1.907 1.00 0.00 H new ATOM 1108 N TYR A 66 -2.643 4.324 0.535 1.00 0.00 N ATOM 1109 CA TYR A 66 -1.708 3.712 1.472 1.00 0.00 C ATOM 1110 C TYR A 66 -0.265 3.968 1.057 1.00 0.00 C ATOM 1111 O TYR A 66 0.063 3.943 -0.130 1.00 0.00 O ATOM 1112 CB TYR A 66 -1.965 2.207 1.578 1.00 0.00 C ATOM 1113 CG TYR A 66 -3.320 1.856 2.152 1.00 0.00 C ATOM 1114 CD1 TYR A 66 -4.435 1.751 1.336 1.00 0.00 C ATOM 1115 CD2 TYR A 66 -3.478 1.628 3.512 1.00 0.00 C ATOM 1116 CE1 TYR A 66 -5.675 1.431 1.855 1.00 0.00 C ATOM 1117 CE2 TYR A 66 -4.711 1.306 4.042 1.00 0.00 C ATOM 1118 CZ TYR A 66 -5.808 1.209 3.211 1.00 0.00 C ATOM 1119 OH TYR A 66 -7.040 0.888 3.734 1.00 0.00 O ATOM 0 H TYR A 66 -2.638 3.908 -0.397 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.868 4.169 2.449 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.875 1.762 0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.190 1.759 2.200 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.333 1.922 0.275 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.622 1.704 4.166 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.534 1.355 1.205 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.817 1.131 5.102 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.962 0.763 4.703 1.00 0.00 H new ATOM 1129 N CYS A 67 0.593 4.213 2.040 1.00 0.00 N ATOM 1130 CA CYS A 67 1.989 4.539 1.774 1.00 0.00 C ATOM 1131 C CYS A 67 2.907 3.938 2.832 1.00 0.00 C ATOM 1132 O CYS A 67 2.587 3.946 4.022 1.00 0.00 O ATOM 1133 CB CYS A 67 2.001 6.066 1.857 1.00 0.00 C ATOM 1134 SG CYS A 67 3.617 6.820 1.555 1.00 0.00 S ATOM 0 H CYS A 67 0.346 4.192 3.030 1.00 0.00 H new ATOM 0 HA CYS A 67 2.345 4.149 0.820 1.00 0.00 H new ATOM 0 HB2 CYS A 67 1.288 6.462 1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 67 1.653 6.366 2.845 1.00 0.00 H new ATOM 0 HG CYS A 67 3.942 6.663 0.306 1.00 0.00 H new ATOM 1140 N LEU A 68 4.048 3.419 2.393 1.00 0.00 N ATOM 1141 CA LEU A 68 5.022 2.829 3.303 1.00 0.00 C ATOM 1142 C LEU A 68 5.752 3.903 4.100 1.00 0.00 C ATOM 1143 O LEU A 68 6.292 4.852 3.531 1.00 0.00 O ATOM 1144 CB LEU A 68 6.025 1.970 2.522 1.00 0.00 C ATOM 1145 CG LEU A 68 6.604 0.779 3.295 1.00 0.00 C ATOM 1146 CD1 LEU A 68 7.032 -0.313 2.325 1.00 0.00 C ATOM 1147 CD2 LEU A 68 7.782 1.243 4.138 1.00 0.00 C ATOM 0 H LEU A 68 4.321 3.395 1.411 1.00 0.00 H new ATOM 0 HA LEU A 68 4.485 2.194 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.536 1.596 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.848 2.606 2.196 1.00 0.00 H new ATOM 0 HG LEU A 68 5.841 0.369 3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.442 -1.155 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.169 -0.646 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.792 0.079 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.193 0.396 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.551 1.662 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.448 2.004 4.843 1.00 0.00 H new