USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 617 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 17 ASN : amide:sc= -0.538 K(o=-1.5,f=-4.8!) USER MOD Set 1.2: A 31 GLN : amide:sc= -0.962 K(o=-1.5,f=-6.1) USER MOD Single : A 11 GLN : amide:sc= -0.678 X(o=-0.68,f=-0.37) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 0.776 (180deg=0.752) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.48 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.877 USER MOD Single : A 34 TYR OH : rot 130:sc= -0.506 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc=-0.00932 X(o=-0.0093,f=-0.12) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -17:sc= 0.566 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc=-0.00728 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.5) USER MOD Single : A 75 LYS NZ :NH3+ 176:sc= -1.71 (180deg=-1.72!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.472 6.599 -13.597 1.00 0.00 N ATOM 60 CA GLY A 7 5.086 6.169 -13.679 1.00 0.00 C ATOM 61 C GLY A 7 4.462 6.064 -12.286 1.00 0.00 C ATOM 62 O GLY A 7 4.716 5.105 -11.558 1.00 0.00 O ATOM 0 HA2 GLY A 7 4.517 6.875 -14.284 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.030 5.203 -14.180 1.00 0.00 H new ATOM 66 N LEU A 8 3.656 7.063 -11.956 1.00 0.00 N ATOM 67 CA LEU A 8 2.993 7.095 -10.664 1.00 0.00 C ATOM 68 C LEU A 8 2.503 5.689 -10.312 1.00 0.00 C ATOM 69 O LEU A 8 3.004 5.070 -9.375 1.00 0.00 O ATOM 70 CB LEU A 8 1.887 8.152 -10.654 1.00 0.00 C ATOM 71 CG LEU A 8 2.350 9.606 -10.537 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.174 10.571 -10.703 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.101 9.838 -9.225 1.00 0.00 C ATOM 0 H LEU A 8 3.447 7.857 -12.562 1.00 0.00 H new ATOM 0 HA LEU A 8 3.694 7.394 -9.884 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.305 8.049 -11.570 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.214 7.938 -9.824 1.00 0.00 H new ATOM 0 HG LEU A 8 3.049 9.808 -11.348 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.530 11.597 -10.616 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.721 10.427 -11.684 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.432 10.377 -9.928 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.419 10.879 -9.167 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.444 9.612 -8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.976 9.189 -9.187 1.00 0.00 H new ATOM 85 N ARG A 9 1.529 5.227 -11.082 1.00 0.00 N ATOM 86 CA ARG A 9 0.966 3.905 -10.864 1.00 0.00 C ATOM 87 C ARG A 9 2.083 2.878 -10.668 1.00 0.00 C ATOM 88 O ARG A 9 1.921 1.915 -9.920 1.00 0.00 O ATOM 89 CB ARG A 9 0.090 3.478 -12.043 1.00 0.00 C ATOM 90 CG ARG A 9 -1.341 3.188 -11.586 1.00 0.00 C ATOM 91 CD ARG A 9 -2.358 3.704 -12.606 1.00 0.00 C ATOM 92 NE ARG A 9 -2.274 5.179 -12.702 1.00 0.00 N ATOM 93 CZ ARG A 9 -2.905 5.908 -13.632 1.00 0.00 C ATOM 94 NH1 ARG A 9 -3.670 5.304 -14.552 1.00 0.00 N ATOM 95 NH2 ARG A 9 -2.772 7.241 -13.643 1.00 0.00 N ATOM 0 H ARG A 9 1.115 5.744 -11.858 1.00 0.00 H new ATOM 0 HA ARG A 9 0.349 3.951 -9.966 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.082 4.264 -12.798 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.513 2.590 -12.512 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.472 2.115 -11.448 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.520 3.658 -10.619 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.167 3.256 -13.581 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.364 3.407 -12.311 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.700 5.671 -12.017 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.772 4.289 -14.544 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.150 5.859 -15.260 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.190 7.701 -12.943 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.253 7.796 -14.351 1.00 0.00 H new ATOM 109 N GLU A 10 3.191 3.118 -11.354 1.00 0.00 N ATOM 110 CA GLU A 10 4.334 2.225 -11.265 1.00 0.00 C ATOM 111 C GLU A 10 5.091 2.460 -9.957 1.00 0.00 C ATOM 112 O GLU A 10 5.649 1.527 -9.382 1.00 0.00 O ATOM 113 CB GLU A 10 5.259 2.397 -12.472 1.00 0.00 C ATOM 114 CG GLU A 10 4.991 1.320 -13.525 1.00 0.00 C ATOM 115 CD GLU A 10 5.797 0.053 -13.231 1.00 0.00 C ATOM 116 OE1 GLU A 10 6.946 0.207 -12.762 1.00 0.00 O ATOM 117 OE2 GLU A 10 5.247 -1.041 -13.481 1.00 0.00 O ATOM 0 H GLU A 10 3.321 3.918 -11.974 1.00 0.00 H new ATOM 0 HA GLU A 10 3.969 1.198 -11.271 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.111 3.384 -12.910 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.299 2.344 -12.149 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.927 1.082 -13.545 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.251 1.700 -14.513 1.00 0.00 H new ATOM 124 N GLN A 11 5.085 3.713 -9.524 1.00 0.00 N ATOM 125 CA GLN A 11 5.764 4.082 -8.293 1.00 0.00 C ATOM 126 C GLN A 11 5.148 3.342 -7.104 1.00 0.00 C ATOM 127 O GLN A 11 5.857 2.687 -6.342 1.00 0.00 O ATOM 128 CB GLN A 11 5.723 5.596 -8.078 1.00 0.00 C ATOM 129 CG GLN A 11 6.945 6.273 -8.703 1.00 0.00 C ATOM 130 CD GLN A 11 7.404 7.463 -7.859 1.00 0.00 C ATOM 131 OE1 GLN A 11 8.208 7.339 -6.949 1.00 0.00 O ATOM 132 NE2 GLN A 11 6.850 8.620 -8.209 1.00 0.00 N ATOM 0 H GLN A 11 4.621 4.485 -10.003 1.00 0.00 H new ATOM 0 HA GLN A 11 6.810 3.788 -8.376 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.813 6.004 -8.517 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.688 5.814 -7.011 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.758 5.552 -8.794 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.703 6.609 -9.711 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.184 8.654 -8.981 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.091 9.474 -7.706 1.00 0.00 H new ATOM 141 N VAL A 12 3.835 3.472 -6.983 1.00 0.00 N ATOM 142 CA VAL A 12 3.116 2.824 -5.899 1.00 0.00 C ATOM 143 C VAL A 12 3.192 1.307 -6.079 1.00 0.00 C ATOM 144 O VAL A 12 3.586 0.589 -5.161 1.00 0.00 O ATOM 145 CB VAL A 12 1.680 3.348 -5.838 1.00 0.00 C ATOM 146 CG1 VAL A 12 0.917 2.720 -4.670 1.00 0.00 C ATOM 147 CG2 VAL A 12 1.656 4.875 -5.750 1.00 0.00 C ATOM 0 H VAL A 12 3.250 4.016 -7.617 1.00 0.00 H new ATOM 0 HA VAL A 12 3.575 3.061 -4.939 1.00 0.00 H new ATOM 0 HB VAL A 12 1.178 3.058 -6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.101 3.109 -4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.889 1.637 -4.794 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.419 2.965 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.623 5.221 -5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.183 5.196 -4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.145 5.298 -6.628 1.00 0.00 H new ATOM 157 N GLN A 13 2.808 0.863 -7.267 1.00 0.00 N ATOM 158 CA GLN A 13 2.828 -0.556 -7.578 1.00 0.00 C ATOM 159 C GLN A 13 4.142 -1.184 -7.109 1.00 0.00 C ATOM 160 O GLN A 13 4.197 -2.381 -6.830 1.00 0.00 O ATOM 161 CB GLN A 13 2.610 -0.792 -9.074 1.00 0.00 C ATOM 162 CG GLN A 13 1.121 -0.927 -9.396 1.00 0.00 C ATOM 163 CD GLN A 13 0.905 -1.785 -10.645 1.00 0.00 C ATOM 164 OE1 GLN A 13 0.870 -3.004 -10.594 1.00 0.00 O ATOM 165 NE2 GLN A 13 0.764 -1.083 -11.766 1.00 0.00 N ATOM 0 H GLN A 13 2.481 1.461 -8.026 1.00 0.00 H new ATOM 0 HA GLN A 13 2.008 -1.037 -7.045 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.035 0.035 -9.642 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.136 -1.695 -9.384 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.601 -1.375 -8.549 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.688 0.061 -9.550 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.804 -0.064 -11.738 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.616 -1.564 -12.653 1.00 0.00 H new ATOM 174 N ASP A 14 5.168 -0.348 -7.038 1.00 0.00 N ATOM 175 CA ASP A 14 6.478 -0.807 -6.607 1.00 0.00 C ATOM 176 C ASP A 14 6.629 -0.567 -5.104 1.00 0.00 C ATOM 177 O ASP A 14 7.135 -1.425 -4.383 1.00 0.00 O ATOM 178 CB ASP A 14 7.592 -0.040 -7.323 1.00 0.00 C ATOM 179 CG ASP A 14 8.849 -0.858 -7.624 1.00 0.00 C ATOM 180 OD1 ASP A 14 8.826 -2.069 -7.315 1.00 0.00 O ATOM 181 OD2 ASP A 14 9.806 -0.253 -8.156 1.00 0.00 O ATOM 0 H ASP A 14 5.119 0.644 -7.271 1.00 0.00 H new ATOM 0 HA ASP A 14 6.559 -1.868 -6.845 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.198 0.352 -8.261 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.873 0.818 -6.712 1.00 0.00 H new ATOM 186 N LEU A 15 6.181 0.604 -4.676 1.00 0.00 N ATOM 187 CA LEU A 15 6.260 0.968 -3.271 1.00 0.00 C ATOM 188 C LEU A 15 5.847 -0.231 -2.415 1.00 0.00 C ATOM 189 O LEU A 15 6.687 -0.852 -1.764 1.00 0.00 O ATOM 190 CB LEU A 15 5.441 2.231 -2.998 1.00 0.00 C ATOM 191 CG LEU A 15 5.236 2.591 -1.525 1.00 0.00 C ATOM 192 CD1 LEU A 15 6.546 3.060 -0.888 1.00 0.00 C ATOM 193 CD2 LEU A 15 4.119 3.624 -1.364 1.00 0.00 C ATOM 0 H LEU A 15 5.762 1.313 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 15 7.286 1.217 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.929 3.071 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.462 2.113 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 15 4.923 1.692 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.373 3.310 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.288 2.264 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.912 3.941 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.994 3.863 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.379 4.530 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.187 3.217 -1.757 1.00 0.00 H new ATOM 205 N PHE A 16 4.555 -0.520 -2.442 1.00 0.00 N ATOM 206 CA PHE A 16 4.020 -1.633 -1.676 1.00 0.00 C ATOM 207 C PHE A 16 4.913 -2.868 -1.809 1.00 0.00 C ATOM 208 O PHE A 16 5.279 -3.484 -0.809 1.00 0.00 O ATOM 209 CB PHE A 16 2.640 -1.952 -2.254 1.00 0.00 C ATOM 210 CG PHE A 16 1.614 -0.832 -2.069 1.00 0.00 C ATOM 211 CD1 PHE A 16 1.645 -0.060 -0.949 1.00 0.00 C ATOM 212 CD2 PHE A 16 0.672 -0.608 -3.024 1.00 0.00 C ATOM 213 CE1 PHE A 16 0.693 0.980 -0.778 1.00 0.00 C ATOM 214 CE2 PHE A 16 -0.280 0.432 -2.852 1.00 0.00 C ATOM 215 CZ PHE A 16 -0.250 1.204 -1.733 1.00 0.00 C ATOM 0 H PHE A 16 3.862 -0.002 -2.983 1.00 0.00 H new ATOM 0 HA PHE A 16 3.967 -1.367 -0.620 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.743 -2.164 -3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.261 -2.859 -1.783 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.393 -0.238 -0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.648 -1.221 -3.913 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.718 1.593 0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.028 0.610 -3.610 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.974 1.994 -1.602 1.00 0.00 H new ATOM 225 N ASN A 17 5.238 -3.194 -3.051 1.00 0.00 N ATOM 226 CA ASN A 17 6.081 -4.345 -3.327 1.00 0.00 C ATOM 227 C ASN A 17 7.392 -4.209 -2.551 1.00 0.00 C ATOM 228 O ASN A 17 7.772 -5.111 -1.806 1.00 0.00 O ATOM 229 CB ASN A 17 6.420 -4.434 -4.816 1.00 0.00 C ATOM 230 CG ASN A 17 5.230 -4.964 -5.619 1.00 0.00 C ATOM 231 OD1 ASN A 17 4.193 -5.315 -5.082 1.00 0.00 O ATOM 232 ND2 ASN A 17 5.438 -5.003 -6.932 1.00 0.00 N ATOM 0 H ASN A 17 4.933 -2.681 -3.878 1.00 0.00 H new ATOM 0 HA ASN A 17 5.538 -5.241 -3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.704 -3.449 -5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.280 -5.089 -4.958 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.705 -5.342 -7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.331 -4.694 -7.316 1.00 0.00 H new ATOM 239 N LYS A 18 8.047 -3.075 -2.752 1.00 0.00 N ATOM 240 CA LYS A 18 9.308 -2.810 -2.080 1.00 0.00 C ATOM 241 C LYS A 18 9.095 -2.865 -0.566 1.00 0.00 C ATOM 242 O LYS A 18 9.685 -3.700 0.118 1.00 0.00 O ATOM 243 CB LYS A 18 9.908 -1.491 -2.569 1.00 0.00 C ATOM 244 CG LYS A 18 11.417 -1.623 -2.789 1.00 0.00 C ATOM 245 CD LYS A 18 12.184 -1.390 -1.486 1.00 0.00 C ATOM 246 CE LYS A 18 13.551 -2.074 -1.524 1.00 0.00 C ATOM 247 NZ LYS A 18 14.523 -1.249 -2.275 1.00 0.00 N ATOM 0 H LYS A 18 7.728 -2.329 -3.371 1.00 0.00 H new ATOM 0 HA LYS A 18 10.041 -3.578 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.426 -1.191 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.711 -0.705 -1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.646 -2.615 -3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.743 -0.904 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.313 -0.320 -1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.605 -1.773 -0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.911 -2.236 -0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.461 -3.055 -1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.446 -1.728 -2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.185 -1.116 -3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.622 -0.323 -1.813 1.00 0.00 H new ATOM 261 N LYS A 19 8.250 -1.964 -0.086 1.00 0.00 N ATOM 262 CA LYS A 19 7.952 -1.899 1.335 1.00 0.00 C ATOM 263 C LYS A 19 7.811 -3.319 1.887 1.00 0.00 C ATOM 264 O LYS A 19 8.302 -3.617 2.975 1.00 0.00 O ATOM 265 CB LYS A 19 6.727 -1.017 1.585 1.00 0.00 C ATOM 266 CG LYS A 19 7.082 0.465 1.448 1.00 0.00 C ATOM 267 CD LYS A 19 7.706 1.002 2.738 1.00 0.00 C ATOM 268 CE LYS A 19 8.601 2.209 2.453 1.00 0.00 C ATOM 269 NZ LYS A 19 9.644 2.338 3.495 1.00 0.00 N ATOM 0 H LYS A 19 7.762 -1.273 -0.656 1.00 0.00 H new ATOM 0 HA LYS A 19 8.772 -1.426 1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.939 -1.273 0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.333 -1.210 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.777 0.601 0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.185 1.037 1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.919 1.285 3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.290 0.217 3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.068 2.100 1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.998 3.116 2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.304 3.098 3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.198 2.565 4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.165 1.442 3.578 1.00 0.00 H new ATOM 283 N TYR A 20 7.138 -4.156 1.112 1.00 0.00 N ATOM 284 CA TYR A 20 6.926 -5.538 1.510 1.00 0.00 C ATOM 285 C TYR A 20 8.202 -6.140 2.102 1.00 0.00 C ATOM 286 O TYR A 20 8.165 -6.766 3.160 1.00 0.00 O ATOM 287 CB TYR A 20 6.564 -6.295 0.231 1.00 0.00 C ATOM 288 CG TYR A 20 5.635 -7.489 0.456 1.00 0.00 C ATOM 289 CD1 TYR A 20 4.404 -7.303 1.054 1.00 0.00 C ATOM 290 CD2 TYR A 20 6.026 -8.752 0.062 1.00 0.00 C ATOM 291 CE1 TYR A 20 3.530 -8.427 1.266 1.00 0.00 C ATOM 292 CE2 TYR A 20 5.151 -9.876 0.274 1.00 0.00 C ATOM 293 CZ TYR A 20 3.946 -9.658 0.865 1.00 0.00 C ATOM 294 OH TYR A 20 3.120 -10.720 1.065 1.00 0.00 O ATOM 0 H TYR A 20 6.732 -3.905 0.211 1.00 0.00 H new ATOM 0 HA TYR A 20 6.146 -5.603 2.269 1.00 0.00 H new ATOM 0 HB2 TYR A 20 6.089 -5.604 -0.465 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.481 -6.645 -0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.097 -6.315 1.362 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.989 -8.898 -0.406 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.565 -8.296 1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.445 -10.870 -0.030 1.00 0.00 H new ATOM 0 HH TYR A 20 3.548 -11.535 0.728 1.00 0.00 H new ATOM 304 N GLY A 21 9.301 -5.929 1.392 1.00 0.00 N ATOM 305 CA GLY A 21 10.587 -6.443 1.834 1.00 0.00 C ATOM 306 C GLY A 21 10.812 -6.155 3.319 1.00 0.00 C ATOM 307 O GLY A 21 11.523 -6.894 3.998 1.00 0.00 O ATOM 0 H GLY A 21 9.328 -5.410 0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.633 -7.518 1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.385 -5.989 1.247 1.00 0.00 H new ATOM 311 N GLU A 22 10.193 -5.078 3.780 1.00 0.00 N ATOM 312 CA GLU A 22 10.317 -4.682 5.173 1.00 0.00 C ATOM 313 C GLU A 22 9.393 -5.529 6.050 1.00 0.00 C ATOM 314 O GLU A 22 9.851 -6.200 6.974 1.00 0.00 O ATOM 315 CB GLU A 22 10.023 -3.191 5.348 1.00 0.00 C ATOM 316 CG GLU A 22 10.897 -2.347 4.417 1.00 0.00 C ATOM 317 CD GLU A 22 10.790 -0.861 4.763 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.198 -0.566 5.823 1.00 0.00 O ATOM 319 OE2 GLU A 22 11.303 -0.053 3.959 1.00 0.00 O ATOM 0 H GLU A 22 9.604 -4.467 3.214 1.00 0.00 H new ATOM 0 HA GLU A 22 11.346 -4.855 5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.971 -2.997 5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.202 -2.900 6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.935 -2.669 4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.592 -2.506 3.383 1.00 0.00 H new ATOM 326 N ALA A 23 8.109 -5.472 5.729 1.00 0.00 N ATOM 327 CA ALA A 23 7.116 -6.225 6.476 1.00 0.00 C ATOM 328 C ALA A 23 7.619 -7.655 6.685 1.00 0.00 C ATOM 329 O ALA A 23 7.230 -8.320 7.645 1.00 0.00 O ATOM 330 CB ALA A 23 5.778 -6.180 5.737 1.00 0.00 C ATOM 0 H ALA A 23 7.733 -4.916 4.961 1.00 0.00 H new ATOM 0 HA ALA A 23 6.959 -5.783 7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.033 -6.745 6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.451 -5.145 5.640 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.895 -6.618 4.746 1.00 0.00 H new ATOM 336 N LEU A 24 8.476 -8.086 5.772 1.00 0.00 N ATOM 337 CA LEU A 24 9.036 -9.425 5.844 1.00 0.00 C ATOM 338 C LEU A 24 10.458 -9.349 6.402 1.00 0.00 C ATOM 339 O LEU A 24 10.938 -10.298 7.021 1.00 0.00 O ATOM 340 CB LEU A 24 8.946 -10.118 4.482 1.00 0.00 C ATOM 341 CG LEU A 24 7.571 -10.101 3.811 1.00 0.00 C ATOM 342 CD1 LEU A 24 7.646 -10.673 2.394 1.00 0.00 C ATOM 343 CD2 LEU A 24 6.533 -10.828 4.669 1.00 0.00 C ATOM 0 H LEU A 24 8.797 -7.532 4.978 1.00 0.00 H new ATOM 0 HA LEU A 24 8.457 -10.044 6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.663 -9.647 3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.256 -11.156 4.603 1.00 0.00 H new ATOM 0 HG LEU A 24 7.246 -9.064 3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.656 -10.650 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.334 -10.075 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.002 -11.702 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.565 -10.801 4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.840 -11.864 4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.454 -10.337 5.639 1.00 0.00 H new ATOM 355 N GLY A 25 11.094 -8.211 6.163 1.00 0.00 N ATOM 356 CA GLY A 25 12.451 -7.999 6.635 1.00 0.00 C ATOM 357 C GLY A 25 13.466 -8.254 5.518 1.00 0.00 C ATOM 358 O GLY A 25 14.628 -7.869 5.630 1.00 0.00 O ATOM 0 H GLY A 25 10.694 -7.426 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.557 -6.978 7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.655 -8.662 7.475 1.00 0.00 H new ATOM 362 N ILE A 26 12.988 -8.903 4.466 1.00 0.00 N ATOM 363 CA ILE A 26 13.839 -9.214 3.329 1.00 0.00 C ATOM 364 C ILE A 26 14.690 -7.991 2.985 1.00 0.00 C ATOM 365 O ILE A 26 14.410 -6.885 3.445 1.00 0.00 O ATOM 366 CB ILE A 26 13.000 -9.730 2.158 1.00 0.00 C ATOM 367 CG1 ILE A 26 12.711 -11.224 2.307 1.00 0.00 C ATOM 368 CG2 ILE A 26 13.669 -9.406 0.821 1.00 0.00 C ATOM 369 CD1 ILE A 26 11.436 -11.613 1.556 1.00 0.00 C ATOM 0 H ILE A 26 12.023 -9.222 4.377 1.00 0.00 H new ATOM 0 HA ILE A 26 14.528 -10.021 3.577 1.00 0.00 H new ATOM 0 HB ILE A 26 12.040 -9.214 2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.553 -11.801 1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.606 -11.474 3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.053 -9.783 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.781 -8.326 0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 26 14.651 -9.877 0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 26 11.253 -12.681 1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.592 -11.052 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 26 11.553 -11.384 0.497 1.00 0.00 H new ATOM 381 N LYS A 27 15.714 -8.230 2.178 1.00 0.00 N ATOM 382 CA LYS A 27 16.608 -7.162 1.766 1.00 0.00 C ATOM 383 C LYS A 27 16.357 -6.831 0.294 1.00 0.00 C ATOM 384 O LYS A 27 16.479 -5.678 -0.117 1.00 0.00 O ATOM 385 CB LYS A 27 18.061 -7.530 2.075 1.00 0.00 C ATOM 386 CG LYS A 27 18.606 -6.690 3.232 1.00 0.00 C ATOM 387 CD LYS A 27 18.900 -5.258 2.779 1.00 0.00 C ATOM 388 CE LYS A 27 18.489 -4.248 3.852 1.00 0.00 C ATOM 389 NZ LYS A 27 19.422 -4.304 5.000 1.00 0.00 N ATOM 0 H LYS A 27 15.944 -9.148 1.799 1.00 0.00 H new ATOM 0 HA LYS A 27 16.405 -6.255 2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.126 -8.588 2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.675 -7.376 1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.883 -6.676 4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 27 19.516 -7.147 3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.963 -5.152 2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.364 -5.048 1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.482 -3.243 3.430 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.474 -4.459 4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.129 -3.612 5.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.409 -5.259 5.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 20.385 -4.080 4.676 1.00 0.00 H new ATOM 403 N TYR A 28 16.011 -7.864 -0.461 1.00 0.00 N ATOM 404 CA TYR A 28 15.742 -7.698 -1.879 1.00 0.00 C ATOM 405 C TYR A 28 14.294 -7.261 -2.115 1.00 0.00 C ATOM 406 O TYR A 28 13.455 -7.377 -1.224 1.00 0.00 O ATOM 407 CB TYR A 28 15.957 -9.073 -2.513 1.00 0.00 C ATOM 408 CG TYR A 28 15.302 -10.222 -1.745 1.00 0.00 C ATOM 409 CD1 TYR A 28 13.970 -10.521 -1.952 1.00 0.00 C ATOM 410 CD2 TYR A 28 16.042 -10.960 -0.843 1.00 0.00 C ATOM 411 CE1 TYR A 28 13.353 -11.602 -1.229 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.425 -12.042 -0.120 1.00 0.00 C ATOM 413 CZ TYR A 28 14.111 -12.309 -0.348 1.00 0.00 C ATOM 414 OH TYR A 28 13.528 -13.331 0.335 1.00 0.00 O ATOM 0 H TYR A 28 15.911 -8.819 -0.117 1.00 0.00 H new ATOM 0 HA TYR A 28 16.392 -6.935 -2.306 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.564 -9.058 -3.529 1.00 0.00 H new ATOM 0 HB3 TYR A 28 17.028 -9.264 -2.588 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.391 -9.943 -2.657 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.084 -10.726 -0.680 1.00 0.00 H new ATOM 0 HE1 TYR A 28 12.312 -11.846 -1.382 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.993 -12.628 0.587 1.00 0.00 H new ATOM 0 HH TYR A 28 14.188 -13.747 0.927 1.00 0.00 H new ATOM 424 N PRO A 29 14.041 -6.756 -3.352 1.00 0.00 N ATOM 425 CA PRO A 29 12.709 -6.302 -3.716 1.00 0.00 C ATOM 426 C PRO A 29 11.776 -7.488 -3.971 1.00 0.00 C ATOM 427 O PRO A 29 11.986 -8.258 -4.907 1.00 0.00 O ATOM 428 CB PRO A 29 12.913 -5.432 -4.946 1.00 0.00 C ATOM 429 CG PRO A 29 14.280 -5.804 -5.498 1.00 0.00 C ATOM 430 CD PRO A 29 15.011 -6.605 -4.432 1.00 0.00 C ATOM 0 HA PRO A 29 12.225 -5.737 -2.920 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.132 -5.611 -5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.871 -4.374 -4.687 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.176 -6.390 -6.411 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.844 -4.908 -5.756 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.331 -7.574 -4.815 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.906 -6.085 -4.090 1.00 0.00 H new ATOM 438 N VAL A 30 10.766 -7.598 -3.121 1.00 0.00 N ATOM 439 CA VAL A 30 9.800 -8.677 -3.242 1.00 0.00 C ATOM 440 C VAL A 30 8.515 -8.136 -3.872 1.00 0.00 C ATOM 441 O VAL A 30 8.263 -6.932 -3.843 1.00 0.00 O ATOM 442 CB VAL A 30 9.569 -9.328 -1.877 1.00 0.00 C ATOM 443 CG1 VAL A 30 8.800 -10.643 -2.020 1.00 0.00 C ATOM 444 CG2 VAL A 30 10.893 -9.545 -1.142 1.00 0.00 C ATOM 0 H VAL A 30 10.595 -6.958 -2.346 1.00 0.00 H new ATOM 0 HA VAL A 30 10.180 -9.459 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 30 8.962 -8.648 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.649 -11.085 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.832 -10.450 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.370 -11.332 -2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.700 -10.009 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.536 -10.196 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.387 -8.585 -0.992 1.00 0.00 H new ATOM 454 N GLN A 31 7.735 -9.052 -4.427 1.00 0.00 N ATOM 455 CA GLN A 31 6.481 -8.683 -5.063 1.00 0.00 C ATOM 456 C GLN A 31 5.299 -9.077 -4.175 1.00 0.00 C ATOM 457 O GLN A 31 5.164 -10.240 -3.796 1.00 0.00 O ATOM 458 CB GLN A 31 6.362 -9.318 -6.449 1.00 0.00 C ATOM 459 CG GLN A 31 7.446 -8.788 -7.390 1.00 0.00 C ATOM 460 CD GLN A 31 7.031 -7.453 -8.010 1.00 0.00 C ATOM 461 OE1 GLN A 31 7.536 -6.396 -7.668 1.00 0.00 O ATOM 462 NE2 GLN A 31 6.084 -7.559 -8.938 1.00 0.00 N ATOM 0 H GLN A 31 7.947 -10.049 -4.450 1.00 0.00 H new ATOM 0 HA GLN A 31 6.467 -7.601 -5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.446 -10.401 -6.365 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.378 -9.106 -6.867 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.379 -8.663 -6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.635 -9.516 -8.179 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.704 -8.475 -9.177 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.738 -6.724 -9.411 1.00 0.00 H new ATOM 471 N VAL A 32 4.473 -8.088 -3.870 1.00 0.00 N ATOM 472 CA VAL A 32 3.307 -8.317 -3.034 1.00 0.00 C ATOM 473 C VAL A 32 2.327 -9.230 -3.773 1.00 0.00 C ATOM 474 O VAL A 32 2.065 -9.034 -4.959 1.00 0.00 O ATOM 475 CB VAL A 32 2.686 -6.980 -2.624 1.00 0.00 C ATOM 476 CG1 VAL A 32 1.361 -7.194 -1.890 1.00 0.00 C ATOM 477 CG2 VAL A 32 3.659 -6.162 -1.772 1.00 0.00 C ATOM 0 H VAL A 32 4.588 -7.125 -4.187 1.00 0.00 H new ATOM 0 HA VAL A 32 3.592 -8.824 -2.112 1.00 0.00 H new ATOM 0 HB VAL A 32 2.479 -6.414 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.940 -6.228 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.663 -7.718 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.534 -7.789 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.193 -5.217 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.912 -6.721 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.566 -5.965 -2.343 1.00 0.00 H new ATOM 487 N PRO A 33 1.798 -10.233 -3.023 1.00 0.00 N ATOM 488 CA PRO A 33 0.852 -11.176 -3.594 1.00 0.00 C ATOM 489 C PRO A 33 -0.525 -10.534 -3.769 1.00 0.00 C ATOM 490 O PRO A 33 -1.449 -10.820 -3.009 1.00 0.00 O ATOM 491 CB PRO A 33 0.841 -12.353 -2.633 1.00 0.00 C ATOM 492 CG PRO A 33 1.422 -11.832 -1.328 1.00 0.00 C ATOM 493 CD PRO A 33 2.085 -10.495 -1.615 1.00 0.00 C ATOM 0 HA PRO A 33 1.134 -11.500 -4.596 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.172 -12.728 -2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.435 -13.180 -3.022 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.638 -11.717 -0.580 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.147 -12.539 -0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.683 -9.709 -0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.159 -10.538 -1.431 1.00 0.00 H new ATOM 501 N TYR A 34 -0.620 -9.677 -4.775 1.00 0.00 N ATOM 502 CA TYR A 34 -1.870 -8.992 -5.060 1.00 0.00 C ATOM 503 C TYR A 34 -3.008 -9.992 -5.270 1.00 0.00 C ATOM 504 O TYR A 34 -4.027 -9.932 -4.583 1.00 0.00 O ATOM 505 CB TYR A 34 -1.640 -8.218 -6.360 1.00 0.00 C ATOM 506 CG TYR A 34 -1.303 -6.740 -6.153 1.00 0.00 C ATOM 507 CD1 TYR A 34 -0.544 -6.351 -5.068 1.00 0.00 C ATOM 508 CD2 TYR A 34 -1.758 -5.797 -7.051 1.00 0.00 C ATOM 509 CE1 TYR A 34 -0.227 -4.960 -4.873 1.00 0.00 C ATOM 510 CE2 TYR A 34 -1.442 -4.406 -6.856 1.00 0.00 C ATOM 511 CZ TYR A 34 -0.691 -4.056 -5.777 1.00 0.00 C ATOM 512 OH TYR A 34 -0.392 -2.742 -5.593 1.00 0.00 O ATOM 0 H TYR A 34 0.148 -9.441 -5.403 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.149 -8.342 -4.231 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.829 -8.691 -6.914 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.534 -8.293 -6.979 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.188 -7.090 -4.365 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.351 -6.102 -7.900 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.366 -4.642 -4.028 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.793 -3.657 -7.551 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.031 -2.369 -6.424 1.00 0.00 H new ATOM 522 N LYS A 35 -2.797 -10.889 -6.223 1.00 0.00 N ATOM 523 CA LYS A 35 -3.793 -11.901 -6.532 1.00 0.00 C ATOM 524 C LYS A 35 -4.328 -12.498 -5.229 1.00 0.00 C ATOM 525 O LYS A 35 -5.520 -12.400 -4.941 1.00 0.00 O ATOM 526 CB LYS A 35 -3.218 -12.941 -7.495 1.00 0.00 C ATOM 527 CG LYS A 35 -3.348 -12.475 -8.947 1.00 0.00 C ATOM 528 CD LYS A 35 -3.872 -13.601 -9.840 1.00 0.00 C ATOM 529 CE LYS A 35 -3.256 -13.524 -11.238 1.00 0.00 C ATOM 530 NZ LYS A 35 -4.198 -14.054 -12.249 1.00 0.00 N ATOM 0 H LYS A 35 -1.951 -10.936 -6.791 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.642 -11.455 -7.051 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.169 -13.119 -7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.740 -13.889 -7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.023 -11.621 -8.999 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.378 -12.138 -9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.639 -14.566 -9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.958 -13.537 -9.913 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.003 -12.490 -11.474 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.327 -14.093 -11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.764 -13.994 -13.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.419 -15.047 -12.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.074 -13.494 -12.235 1.00 0.00 H new ATOM 544 N ARG A 36 -3.421 -13.105 -4.477 1.00 0.00 N ATOM 545 CA ARG A 36 -3.787 -13.718 -3.212 1.00 0.00 C ATOM 546 C ARG A 36 -4.435 -12.685 -2.289 1.00 0.00 C ATOM 547 O ARG A 36 -5.331 -13.015 -1.513 1.00 0.00 O ATOM 548 CB ARG A 36 -2.564 -14.318 -2.516 1.00 0.00 C ATOM 549 CG ARG A 36 -1.711 -15.120 -3.501 1.00 0.00 C ATOM 550 CD ARG A 36 -1.105 -16.351 -2.825 1.00 0.00 C ATOM 551 NE ARG A 36 0.303 -16.084 -2.456 1.00 0.00 N ATOM 552 CZ ARG A 36 1.289 -15.892 -3.342 1.00 0.00 C ATOM 553 NH1 ARG A 36 1.028 -15.936 -4.656 1.00 0.00 N ATOM 554 NH2 ARG A 36 2.538 -15.655 -2.916 1.00 0.00 N ATOM 0 H ARG A 36 -2.434 -13.185 -4.720 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.498 -14.517 -3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.965 -13.521 -2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.886 -14.964 -1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.322 -15.430 -4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.915 -14.489 -3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.680 -16.608 -1.935 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.157 -17.208 -3.497 1.00 0.00 H new ATOM 0 HE ARG A 36 0.537 -16.044 -1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.078 -16.116 -4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.779 -15.790 -5.330 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.738 -15.621 -1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.288 -15.509 -3.592 1.00 0.00 H new ATOM 568 N ILE A 37 -3.957 -11.454 -2.402 1.00 0.00 N ATOM 569 CA ILE A 37 -4.478 -10.370 -1.588 1.00 0.00 C ATOM 570 C ILE A 37 -5.881 -10.001 -2.074 1.00 0.00 C ATOM 571 O ILE A 37 -6.671 -9.429 -1.325 1.00 0.00 O ATOM 572 CB ILE A 37 -3.502 -9.192 -1.574 1.00 0.00 C ATOM 573 CG1 ILE A 37 -2.408 -9.399 -0.525 1.00 0.00 C ATOM 574 CG2 ILE A 37 -4.243 -7.868 -1.377 1.00 0.00 C ATOM 575 CD1 ILE A 37 -1.357 -8.289 -0.602 1.00 0.00 C ATOM 0 H ILE A 37 -3.214 -11.184 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.573 -10.686 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.011 -9.144 -2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.852 -9.416 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.931 -10.367 -0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.526 -7.047 -1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.953 -7.724 -2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.779 -7.889 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.591 -8.460 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.898 -8.291 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.833 -7.324 -0.425 1.00 0.00 H new ATOM 587 N LYS A 38 -6.147 -10.343 -3.327 1.00 0.00 N ATOM 588 CA LYS A 38 -7.441 -10.054 -3.922 1.00 0.00 C ATOM 589 C LYS A 38 -8.435 -11.147 -3.525 1.00 0.00 C ATOM 590 O LYS A 38 -9.574 -10.854 -3.164 1.00 0.00 O ATOM 591 CB LYS A 38 -7.304 -9.867 -5.435 1.00 0.00 C ATOM 592 CG LYS A 38 -8.114 -8.661 -5.913 1.00 0.00 C ATOM 593 CD LYS A 38 -8.887 -8.991 -7.192 1.00 0.00 C ATOM 594 CE LYS A 38 -10.165 -9.770 -6.875 1.00 0.00 C ATOM 595 NZ LYS A 38 -11.274 -9.322 -7.746 1.00 0.00 N ATOM 0 H LYS A 38 -5.489 -10.817 -3.946 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.834 -9.111 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.254 -9.731 -5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.645 -10.766 -5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.810 -8.353 -5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.446 -7.819 -6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.139 -8.069 -7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.257 -9.576 -7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.992 -10.837 -7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.435 -9.626 -5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.134 -9.861 -7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.449 -8.309 -7.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.020 -9.481 -8.742 1.00 0.00 H new ATOM 609 N SER A 39 -7.969 -12.385 -3.606 1.00 0.00 N ATOM 610 CA SER A 39 -8.803 -13.523 -3.260 1.00 0.00 C ATOM 611 C SER A 39 -9.000 -13.585 -1.744 1.00 0.00 C ATOM 612 O SER A 39 -10.099 -13.864 -1.268 1.00 0.00 O ATOM 613 CB SER A 39 -8.193 -14.829 -3.771 1.00 0.00 C ATOM 614 OG SER A 39 -8.829 -15.287 -4.961 1.00 0.00 O ATOM 0 H SER A 39 -7.024 -12.625 -3.906 1.00 0.00 H new ATOM 0 HA SER A 39 -9.773 -13.395 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.130 -14.682 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.275 -15.594 -2.999 1.00 0.00 H new ATOM 0 HG SER A 39 -8.409 -16.122 -5.256 1.00 0.00 H new ATOM 620 N ASN A 40 -7.917 -13.321 -1.028 1.00 0.00 N ATOM 621 CA ASN A 40 -7.957 -13.344 0.425 1.00 0.00 C ATOM 622 C ASN A 40 -7.567 -11.966 0.963 1.00 0.00 C ATOM 623 O ASN A 40 -6.426 -11.535 0.808 1.00 0.00 O ATOM 624 CB ASN A 40 -6.968 -14.368 0.986 1.00 0.00 C ATOM 625 CG ASN A 40 -7.447 -15.797 0.719 1.00 0.00 C ATOM 626 OD1 ASN A 40 -8.576 -16.164 1.001 1.00 0.00 O ATOM 627 ND2 ASN A 40 -6.528 -16.579 0.161 1.00 0.00 N ATOM 0 H ASN A 40 -7.007 -13.090 -1.426 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.968 -13.613 0.731 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.988 -14.219 0.533 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.850 -14.215 2.059 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.749 -17.551 -0.057 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.602 -16.207 -0.049 1.00 0.00 H new ATOM 634 N PRO A 41 -8.564 -11.295 1.600 1.00 0.00 N ATOM 635 CA PRO A 41 -8.337 -9.975 2.162 1.00 0.00 C ATOM 636 C PRO A 41 -7.523 -10.062 3.454 1.00 0.00 C ATOM 637 O PRO A 41 -6.868 -9.096 3.846 1.00 0.00 O ATOM 638 CB PRO A 41 -9.726 -9.393 2.374 1.00 0.00 C ATOM 639 CG PRO A 41 -10.680 -10.577 2.360 1.00 0.00 C ATOM 640 CD PRO A 41 -9.928 -11.775 1.802 1.00 0.00 C ATOM 0 HA PRO A 41 -7.747 -9.335 1.506 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.784 -8.856 3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.975 -8.681 1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.041 -10.788 3.366 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.554 -10.356 1.747 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.953 -12.616 2.495 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.369 -12.119 0.867 1.00 0.00 H new ATOM 648 N GLY A 42 -7.589 -11.227 4.081 1.00 0.00 N ATOM 649 CA GLY A 42 -6.865 -11.452 5.321 1.00 0.00 C ATOM 650 C GLY A 42 -5.456 -11.979 5.045 1.00 0.00 C ATOM 651 O GLY A 42 -5.039 -12.980 5.626 1.00 0.00 O ATOM 0 H GLY A 42 -8.133 -12.026 3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.805 -10.521 5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.409 -12.165 5.940 1.00 0.00 H new ATOM 655 N SER A 43 -4.761 -11.281 4.159 1.00 0.00 N ATOM 656 CA SER A 43 -3.406 -11.666 3.799 1.00 0.00 C ATOM 657 C SER A 43 -2.408 -10.647 4.353 1.00 0.00 C ATOM 658 O SER A 43 -1.650 -10.952 5.272 1.00 0.00 O ATOM 659 CB SER A 43 -3.254 -11.789 2.282 1.00 0.00 C ATOM 660 OG SER A 43 -2.401 -12.870 1.917 1.00 0.00 O ATOM 0 H SER A 43 -5.110 -10.451 3.680 1.00 0.00 H new ATOM 0 HA SER A 43 -3.199 -12.642 4.238 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.235 -11.933 1.830 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.852 -10.859 1.881 1.00 0.00 H new ATOM 0 HG SER A 43 -2.331 -12.916 0.941 1.00 0.00 H new ATOM 666 N VAL A 44 -2.441 -9.458 3.770 1.00 0.00 N ATOM 667 CA VAL A 44 -1.549 -8.392 4.193 1.00 0.00 C ATOM 668 C VAL A 44 -2.369 -7.138 4.502 1.00 0.00 C ATOM 669 O VAL A 44 -3.079 -6.628 3.636 1.00 0.00 O ATOM 670 CB VAL A 44 -0.473 -8.157 3.131 1.00 0.00 C ATOM 671 CG1 VAL A 44 0.198 -6.795 3.322 1.00 0.00 C ATOM 672 CG2 VAL A 44 0.561 -9.284 3.138 1.00 0.00 C ATOM 0 H VAL A 44 -3.072 -9.209 3.008 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.027 -8.672 5.108 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.960 -8.157 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.959 -6.653 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.550 -6.006 3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.664 -6.754 4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.314 -9.092 2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.040 -9.332 4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.067 -10.233 2.930 1.00 0.00 H new ATOM 682 N ILE A 45 -2.244 -6.677 5.737 1.00 0.00 N ATOM 683 CA ILE A 45 -2.966 -5.492 6.171 1.00 0.00 C ATOM 684 C ILE A 45 -2.132 -4.249 5.855 1.00 0.00 C ATOM 685 O ILE A 45 -0.925 -4.230 6.092 1.00 0.00 O ATOM 686 CB ILE A 45 -3.357 -5.612 7.645 1.00 0.00 C ATOM 687 CG1 ILE A 45 -3.793 -7.039 7.982 1.00 0.00 C ATOM 688 CG2 ILE A 45 -4.427 -4.583 8.013 1.00 0.00 C ATOM 689 CD1 ILE A 45 -2.780 -7.718 8.906 1.00 0.00 C ATOM 0 H ILE A 45 -1.654 -7.102 6.452 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.904 -5.395 5.624 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.478 -5.393 8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.772 -7.020 8.461 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.898 -7.617 7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.687 -4.690 9.066 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.043 -3.579 7.834 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.314 -4.746 7.402 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.114 -8.731 9.130 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.808 -7.757 8.414 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.695 -7.151 9.833 1.00 0.00 H new ATOM 701 N ILE A 46 -2.808 -3.241 5.324 1.00 0.00 N ATOM 702 CA ILE A 46 -2.145 -1.997 4.973 1.00 0.00 C ATOM 703 C ILE A 46 -2.750 -0.853 5.790 1.00 0.00 C ATOM 704 O ILE A 46 -3.951 -0.596 5.710 1.00 0.00 O ATOM 705 CB ILE A 46 -2.198 -1.769 3.461 1.00 0.00 C ATOM 706 CG1 ILE A 46 -1.157 -2.627 2.740 1.00 0.00 C ATOM 707 CG2 ILE A 46 -2.049 -0.283 3.125 1.00 0.00 C ATOM 708 CD1 ILE A 46 -1.257 -2.452 1.224 1.00 0.00 C ATOM 0 H ILE A 46 -3.809 -3.261 5.128 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.086 -2.045 5.227 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.178 -2.084 3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.157 -2.351 3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.303 -3.676 2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.090 -0.148 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.858 0.278 3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.092 0.081 3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.506 -3.073 0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.250 -2.751 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.087 -1.407 0.966 1.00 0.00 H new ATOM 720 N GLU A 47 -1.892 -0.196 6.556 1.00 0.00 N ATOM 721 CA GLU A 47 -2.327 0.914 7.386 1.00 0.00 C ATOM 722 C GLU A 47 -1.358 2.090 7.251 1.00 0.00 C ATOM 723 O GLU A 47 -0.255 1.933 6.729 1.00 0.00 O ATOM 724 CB GLU A 47 -2.467 0.484 8.848 1.00 0.00 C ATOM 725 CG GLU A 47 -3.900 0.042 9.154 1.00 0.00 C ATOM 726 CD GLU A 47 -4.778 1.241 9.518 1.00 0.00 C ATOM 727 OE1 GLU A 47 -4.617 1.738 10.654 1.00 0.00 O ATOM 728 OE2 GLU A 47 -5.589 1.633 8.652 1.00 0.00 O ATOM 0 H GLU A 47 -0.897 -0.411 6.619 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.309 1.237 7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.778 -0.334 9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.190 1.311 9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.319 -0.470 8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.896 -0.673 9.976 1.00 0.00 H new ATOM 735 N GLY A 48 -1.805 3.242 7.729 1.00 0.00 N ATOM 736 CA GLY A 48 -0.991 4.444 7.668 1.00 0.00 C ATOM 737 C GLY A 48 -1.290 5.245 6.400 1.00 0.00 C ATOM 738 O GLY A 48 -0.855 6.388 6.266 1.00 0.00 O ATOM 0 H GLY A 48 -2.721 3.368 8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.182 5.061 8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.065 4.174 7.691 1.00 0.00 H new ATOM 742 N LEU A 49 -2.030 4.614 5.500 1.00 0.00 N ATOM 743 CA LEU A 49 -2.392 5.253 4.247 1.00 0.00 C ATOM 744 C LEU A 49 -2.949 6.649 4.534 1.00 0.00 C ATOM 745 O LEU A 49 -3.308 6.957 5.670 1.00 0.00 O ATOM 746 CB LEU A 49 -3.346 4.364 3.447 1.00 0.00 C ATOM 747 CG LEU A 49 -2.690 3.380 2.476 1.00 0.00 C ATOM 748 CD1 LEU A 49 -3.715 2.387 1.925 1.00 0.00 C ATOM 749 CD2 LEU A 49 -1.953 4.123 1.359 1.00 0.00 C ATOM 0 H LEU A 49 -2.389 3.666 5.614 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.511 5.383 3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.958 3.798 4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.021 5.006 2.882 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.946 2.802 3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.222 1.699 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.155 1.824 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.499 2.929 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.495 3.401 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.660 4.742 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.178 4.756 1.792 1.00 0.00 H new ATOM 761 N PRO A 50 -3.005 7.478 3.458 1.00 0.00 N ATOM 762 CA PRO A 50 -3.513 8.834 3.583 1.00 0.00 C ATOM 763 C PRO A 50 -5.037 8.840 3.711 1.00 0.00 C ATOM 764 O PRO A 50 -5.685 7.815 3.504 1.00 0.00 O ATOM 765 CB PRO A 50 -3.018 9.556 2.341 1.00 0.00 C ATOM 766 CG PRO A 50 -2.650 8.467 1.345 1.00 0.00 C ATOM 767 CD PRO A 50 -2.589 7.149 2.098 1.00 0.00 C ATOM 0 HA PRO A 50 -3.160 9.333 4.485 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.790 10.211 1.936 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.156 10.183 2.571 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.389 8.416 0.545 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.689 8.685 0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.250 6.407 1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.583 6.730 2.082 1.00 0.00 H new ATOM 775 N PRO A 51 -5.581 10.037 4.059 1.00 0.00 N ATOM 776 CA PRO A 51 -7.017 10.190 4.216 1.00 0.00 C ATOM 777 C PRO A 51 -7.716 10.229 2.856 1.00 0.00 C ATOM 778 O PRO A 51 -7.385 11.055 2.007 1.00 0.00 O ATOM 779 CB PRO A 51 -7.192 11.473 5.011 1.00 0.00 C ATOM 780 CG PRO A 51 -5.882 12.233 4.869 1.00 0.00 C ATOM 781 CD PRO A 51 -4.845 11.272 4.311 1.00 0.00 C ATOM 0 HA PRO A 51 -7.475 9.349 4.737 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.027 12.059 4.628 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.407 11.258 6.058 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.007 13.088 4.205 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.560 12.624 5.834 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.398 11.660 3.396 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.033 11.111 5.020 1.00 0.00 H new ATOM 789 N GLY A 52 -8.671 9.325 2.691 1.00 0.00 N ATOM 790 CA GLY A 52 -9.420 9.245 1.448 1.00 0.00 C ATOM 791 C GLY A 52 -8.883 8.125 0.555 1.00 0.00 C ATOM 792 O GLY A 52 -9.458 7.831 -0.492 1.00 0.00 O ATOM 0 H GLY A 52 -8.943 8.642 3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.474 9.068 1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.358 10.197 0.920 1.00 0.00 H new ATOM 796 N ILE A 53 -7.786 7.530 1.001 1.00 0.00 N ATOM 797 CA ILE A 53 -7.165 6.449 0.255 1.00 0.00 C ATOM 798 C ILE A 53 -7.141 5.187 1.120 1.00 0.00 C ATOM 799 O ILE A 53 -6.292 5.049 2.000 1.00 0.00 O ATOM 800 CB ILE A 53 -5.786 6.872 -0.254 1.00 0.00 C ATOM 801 CG1 ILE A 53 -5.843 8.254 -0.908 1.00 0.00 C ATOM 802 CG2 ILE A 53 -5.201 5.817 -1.195 1.00 0.00 C ATOM 803 CD1 ILE A 53 -4.477 8.651 -1.471 1.00 0.00 C ATOM 0 H ILE A 53 -7.312 7.776 1.870 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.749 6.215 -0.635 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.115 6.948 0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.583 8.251 -1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.167 8.994 -0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.220 6.143 -1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.102 4.870 -0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.863 5.685 -2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.545 9.637 -1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.744 8.676 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.167 7.923 -2.220 1.00 0.00 H new ATOM 815 N PRO A 54 -8.107 4.274 0.832 1.00 0.00 N ATOM 816 CA PRO A 54 -8.204 3.028 1.573 1.00 0.00 C ATOM 817 C PRO A 54 -7.106 2.051 1.149 1.00 0.00 C ATOM 818 O PRO A 54 -6.297 2.361 0.276 1.00 0.00 O ATOM 819 CB PRO A 54 -9.604 2.509 1.288 1.00 0.00 C ATOM 820 CG PRO A 54 -10.071 3.235 0.037 1.00 0.00 C ATOM 821 CD PRO A 54 -9.129 4.403 -0.203 1.00 0.00 C ATOM 0 HA PRO A 54 -8.054 3.163 2.644 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.597 1.430 1.134 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.272 2.706 2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.068 2.560 -0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.094 3.589 0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.691 4.360 -1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.652 5.356 -0.126 1.00 0.00 H new ATOM 829 N PHE A 55 -7.113 0.889 1.787 1.00 0.00 N ATOM 830 CA PHE A 55 -6.128 -0.135 1.487 1.00 0.00 C ATOM 831 C PHE A 55 -6.604 -1.037 0.346 1.00 0.00 C ATOM 832 O PHE A 55 -7.221 -2.073 0.586 1.00 0.00 O ATOM 833 CB PHE A 55 -5.960 -0.979 2.752 1.00 0.00 C ATOM 834 CG PHE A 55 -5.484 -2.409 2.488 1.00 0.00 C ATOM 835 CD1 PHE A 55 -4.684 -2.673 1.420 1.00 0.00 C ATOM 836 CD2 PHE A 55 -5.861 -3.416 3.321 1.00 0.00 C ATOM 837 CE1 PHE A 55 -4.242 -4.000 1.175 1.00 0.00 C ATOM 838 CE2 PHE A 55 -5.419 -4.743 3.075 1.00 0.00 C ATOM 839 CZ PHE A 55 -4.619 -5.007 2.008 1.00 0.00 C ATOM 0 H PHE A 55 -7.786 0.635 2.510 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.191 0.329 1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.247 -0.486 3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.912 -1.016 3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.385 -1.873 0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.496 -3.207 4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.607 -4.210 0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.719 -5.543 3.736 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.283 -6.016 1.822 1.00 0.00 H new ATOM 849 N ARG A 56 -6.300 -0.608 -0.870 1.00 0.00 N ATOM 850 CA ARG A 56 -6.689 -1.364 -2.049 1.00 0.00 C ATOM 851 C ARG A 56 -5.697 -1.120 -3.188 1.00 0.00 C ATOM 852 O ARG A 56 -4.723 -0.387 -3.021 1.00 0.00 O ATOM 853 CB ARG A 56 -8.094 -0.975 -2.513 1.00 0.00 C ATOM 854 CG ARG A 56 -9.149 -1.413 -1.496 1.00 0.00 C ATOM 855 CD ARG A 56 -9.481 -0.278 -0.526 1.00 0.00 C ATOM 856 NE ARG A 56 -10.926 0.037 -0.591 1.00 0.00 N ATOM 857 CZ ARG A 56 -11.900 -0.846 -0.332 1.00 0.00 C ATOM 858 NH1 ARG A 56 -11.590 -2.103 0.012 1.00 0.00 N ATOM 859 NH2 ARG A 56 -13.183 -0.471 -0.416 1.00 0.00 N ATOM 0 H ARG A 56 -5.789 0.253 -1.065 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.686 -2.421 -1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.148 0.104 -2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.302 -1.435 -3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.053 -1.727 -2.017 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.786 -2.277 -0.939 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.208 -0.565 0.490 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.896 0.607 -0.775 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.197 0.986 -0.849 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.613 -2.388 0.077 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.331 -2.775 0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.418 0.487 -0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.925 -1.143 -0.219 1.00 0.00 H new ATOM 873 N LYS A 57 -5.978 -1.748 -4.320 1.00 0.00 N ATOM 874 CA LYS A 57 -5.123 -1.607 -5.486 1.00 0.00 C ATOM 875 C LYS A 57 -4.856 -0.123 -5.742 1.00 0.00 C ATOM 876 O LYS A 57 -5.768 0.698 -5.661 1.00 0.00 O ATOM 877 CB LYS A 57 -5.728 -2.340 -6.685 1.00 0.00 C ATOM 878 CG LYS A 57 -4.931 -3.604 -7.015 1.00 0.00 C ATOM 879 CD LYS A 57 -5.395 -4.214 -8.339 1.00 0.00 C ATOM 880 CE LYS A 57 -6.198 -5.495 -8.101 1.00 0.00 C ATOM 881 NZ LYS A 57 -7.260 -5.637 -9.122 1.00 0.00 N ATOM 0 H LYS A 57 -6.786 -2.356 -4.455 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.156 -2.078 -5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.763 -2.605 -6.469 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.742 -1.678 -7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.869 -3.364 -7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.050 -4.333 -6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.006 -3.493 -8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.530 -4.434 -8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.534 -6.359 -8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.642 -5.473 -7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.796 -6.511 -8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.903 -4.821 -9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.829 -5.679 -10.068 1.00 0.00 H new ATOM 895 N PRO A 58 -3.568 0.184 -6.054 1.00 0.00 N ATOM 896 CA PRO A 58 -3.170 1.556 -6.323 1.00 0.00 C ATOM 897 C PRO A 58 -3.649 2.005 -7.705 1.00 0.00 C ATOM 898 O PRO A 58 -4.236 3.077 -7.844 1.00 0.00 O ATOM 899 CB PRO A 58 -1.656 1.559 -6.188 1.00 0.00 C ATOM 900 CG PRO A 58 -1.224 0.107 -6.309 1.00 0.00 C ATOM 901 CD PRO A 58 -2.462 -0.762 -6.159 1.00 0.00 C ATOM 0 HA PRO A 58 -3.620 2.268 -5.631 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.196 2.169 -6.965 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.350 1.979 -5.230 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.748 -0.070 -7.273 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.490 -0.138 -5.541 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.587 -1.424 -7.016 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.397 -1.395 -5.274 1.00 0.00 H new ATOM 909 N CYS A 59 -3.380 1.163 -8.692 1.00 0.00 N ATOM 910 CA CYS A 59 -3.775 1.460 -10.058 1.00 0.00 C ATOM 911 C CYS A 59 -5.287 1.697 -10.079 1.00 0.00 C ATOM 912 O CYS A 59 -5.806 2.336 -10.993 1.00 0.00 O ATOM 913 CB CYS A 59 -3.359 0.348 -11.022 1.00 0.00 C ATOM 914 SG CYS A 59 -4.086 0.646 -12.674 1.00 0.00 S ATOM 0 H CYS A 59 -2.893 0.275 -8.573 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.262 2.358 -10.401 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.272 0.308 -11.096 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.689 -0.618 -10.640 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.057 1.504 -12.572 1.00 0.00 H new ATOM 920 N THR A 60 -5.951 1.169 -9.061 1.00 0.00 N ATOM 921 CA THR A 60 -7.392 1.315 -8.952 1.00 0.00 C ATOM 922 C THR A 60 -7.752 2.731 -8.495 1.00 0.00 C ATOM 923 O THR A 60 -8.916 3.125 -8.542 1.00 0.00 O ATOM 924 CB THR A 60 -7.908 0.224 -8.012 1.00 0.00 C ATOM 925 OG1 THR A 60 -8.453 -0.759 -8.887 1.00 0.00 O ATOM 926 CG2 THR A 60 -9.106 0.687 -7.179 1.00 0.00 C ATOM 0 H THR A 60 -5.517 0.640 -8.305 1.00 0.00 H new ATOM 0 HA THR A 60 -7.877 1.186 -9.920 1.00 0.00 H new ATOM 0 HB THR A 60 -7.104 -0.092 -7.347 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.809 -1.505 -8.360 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.433 -0.125 -6.529 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.817 1.544 -6.571 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.922 0.972 -7.843 1.00 0.00 H new ATOM 934 N PHE A 61 -6.730 3.456 -8.063 1.00 0.00 N ATOM 935 CA PHE A 61 -6.924 4.819 -7.599 1.00 0.00 C ATOM 936 C PHE A 61 -6.460 5.828 -8.651 1.00 0.00 C ATOM 937 O PHE A 61 -5.808 5.458 -9.626 1.00 0.00 O ATOM 938 CB PHE A 61 -6.073 4.987 -6.338 1.00 0.00 C ATOM 939 CG PHE A 61 -6.598 4.214 -5.126 1.00 0.00 C ATOM 940 CD1 PHE A 61 -7.933 4.176 -4.870 1.00 0.00 C ATOM 941 CD2 PHE A 61 -5.729 3.566 -4.305 1.00 0.00 C ATOM 942 CE1 PHE A 61 -8.420 3.459 -3.745 1.00 0.00 C ATOM 943 CE2 PHE A 61 -6.216 2.849 -3.180 1.00 0.00 C ATOM 944 CZ PHE A 61 -7.551 2.810 -2.924 1.00 0.00 C ATOM 0 H PHE A 61 -5.766 3.125 -8.025 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.981 4.999 -7.404 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.056 4.660 -6.552 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.020 6.046 -6.086 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.623 4.691 -5.522 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.669 3.597 -4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -9.480 3.429 -3.541 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.526 2.335 -2.528 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.921 2.264 -2.069 1.00 0.00 H new ATOM 954 N GLY A 62 -6.813 7.084 -8.417 1.00 0.00 N ATOM 955 CA GLY A 62 -6.441 8.149 -9.332 1.00 0.00 C ATOM 956 C GLY A 62 -5.025 8.652 -9.042 1.00 0.00 C ATOM 957 O GLY A 62 -4.547 8.553 -7.913 1.00 0.00 O ATOM 0 H GLY A 62 -7.353 7.387 -7.607 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.499 7.788 -10.359 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.149 8.973 -9.243 1.00 0.00 H new ATOM 961 N SER A 63 -4.395 9.180 -10.080 1.00 0.00 N ATOM 962 CA SER A 63 -3.044 9.699 -9.950 1.00 0.00 C ATOM 963 C SER A 63 -2.932 10.560 -8.691 1.00 0.00 C ATOM 964 O SER A 63 -1.993 10.408 -7.911 1.00 0.00 O ATOM 965 CB SER A 63 -2.644 10.510 -11.185 1.00 0.00 C ATOM 966 OG SER A 63 -3.545 11.587 -11.430 1.00 0.00 O ATOM 0 H SER A 63 -4.795 9.260 -11.015 1.00 0.00 H new ATOM 0 HA SER A 63 -2.360 8.854 -9.866 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.637 10.903 -11.050 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.616 9.855 -12.056 1.00 0.00 H new ATOM 0 HG SER A 63 -3.255 12.082 -12.225 1.00 0.00 H new ATOM 972 N GLN A 64 -3.905 11.446 -8.530 1.00 0.00 N ATOM 973 CA GLN A 64 -3.928 12.332 -7.379 1.00 0.00 C ATOM 974 C GLN A 64 -3.772 11.527 -6.087 1.00 0.00 C ATOM 975 O GLN A 64 -2.950 11.864 -5.236 1.00 0.00 O ATOM 976 CB GLN A 64 -5.210 13.166 -7.354 1.00 0.00 C ATOM 977 CG GLN A 64 -4.895 14.659 -7.466 1.00 0.00 C ATOM 978 CD GLN A 64 -4.993 15.343 -6.101 1.00 0.00 C ATOM 979 OE1 GLN A 64 -4.122 15.224 -5.254 1.00 0.00 O ATOM 980 NE2 GLN A 64 -6.097 16.065 -5.935 1.00 0.00 N ATOM 0 H GLN A 64 -4.683 11.569 -9.178 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.087 13.021 -7.459 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.860 12.865 -8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.755 12.974 -6.430 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.893 14.793 -7.873 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.588 15.129 -8.163 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.786 16.123 -6.685 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.255 16.561 -5.058 1.00 0.00 H new ATOM 989 N ASN A 65 -4.574 10.477 -5.981 1.00 0.00 N ATOM 990 CA ASN A 65 -4.536 9.622 -4.807 1.00 0.00 C ATOM 991 C ASN A 65 -3.131 9.035 -4.655 1.00 0.00 C ATOM 992 O ASN A 65 -2.615 8.932 -3.543 1.00 0.00 O ATOM 993 CB ASN A 65 -5.522 8.459 -4.941 1.00 0.00 C ATOM 994 CG ASN A 65 -6.895 8.838 -4.382 1.00 0.00 C ATOM 995 OD1 ASN A 65 -7.184 9.990 -4.102 1.00 0.00 O ATOM 996 ND2 ASN A 65 -7.723 7.807 -4.238 1.00 0.00 N ATOM 0 H ASN A 65 -5.254 10.199 -6.689 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.806 10.226 -3.941 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.617 8.177 -5.990 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.137 7.588 -4.411 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.664 7.956 -3.874 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.417 6.868 -4.492 1.00 0.00 H new ATOM 1003 N LEU A 66 -2.552 8.666 -5.788 1.00 0.00 N ATOM 1004 CA LEU A 66 -1.217 8.093 -5.794 1.00 0.00 C ATOM 1005 C LEU A 66 -0.228 9.109 -5.220 1.00 0.00 C ATOM 1006 O LEU A 66 0.420 8.846 -4.208 1.00 0.00 O ATOM 1007 CB LEU A 66 -0.851 7.603 -7.197 1.00 0.00 C ATOM 1008 CG LEU A 66 -1.806 6.583 -7.821 1.00 0.00 C ATOM 1009 CD1 LEU A 66 -1.488 6.370 -9.302 1.00 0.00 C ATOM 1010 CD2 LEU A 66 -1.794 5.269 -7.037 1.00 0.00 C ATOM 0 H LEU A 66 -2.983 8.753 -6.708 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.177 7.212 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.791 8.467 -7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.145 7.162 -7.158 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.818 6.983 -7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.181 5.641 -9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.589 7.315 -9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.467 6.002 -9.406 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.481 4.562 -7.502 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.787 4.852 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.105 5.456 -6.009 1.00 0.00 H new ATOM 1022 N GLU A 67 -0.142 10.248 -5.891 1.00 0.00 N ATOM 1023 CA GLU A 67 0.758 11.305 -5.461 1.00 0.00 C ATOM 1024 C GLU A 67 0.782 11.391 -3.933 1.00 0.00 C ATOM 1025 O GLU A 67 1.809 11.723 -3.343 1.00 0.00 O ATOM 1026 CB GLU A 67 0.363 12.647 -6.080 1.00 0.00 C ATOM 1027 CG GLU A 67 1.346 13.054 -7.179 1.00 0.00 C ATOM 1028 CD GLU A 67 1.667 14.548 -7.102 1.00 0.00 C ATOM 1029 OE1 GLU A 67 0.793 15.338 -7.520 1.00 0.00 O ATOM 1030 OE2 GLU A 67 2.779 14.866 -6.628 1.00 0.00 O ATOM 0 H GLU A 67 -0.681 10.462 -6.730 1.00 0.00 H new ATOM 0 HA GLU A 67 1.763 11.065 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.643 12.579 -6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.338 13.415 -5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.265 12.476 -7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.923 12.819 -8.156 1.00 0.00 H new ATOM 1037 N ARG A 68 -0.361 11.087 -3.337 1.00 0.00 N ATOM 1038 CA ARG A 68 -0.484 11.127 -1.889 1.00 0.00 C ATOM 1039 C ARG A 68 0.214 9.917 -1.265 1.00 0.00 C ATOM 1040 O ARG A 68 1.092 10.071 -0.417 1.00 0.00 O ATOM 1041 CB ARG A 68 -1.953 11.137 -1.461 1.00 0.00 C ATOM 1042 CG ARG A 68 -2.693 12.329 -2.070 1.00 0.00 C ATOM 1043 CD ARG A 68 -4.198 12.230 -1.812 1.00 0.00 C ATOM 1044 NE ARG A 68 -4.507 12.683 -0.437 1.00 0.00 N ATOM 1045 CZ ARG A 68 -5.747 12.780 0.061 1.00 0.00 C ATOM 1046 NH1 ARG A 68 -6.802 12.457 -0.699 1.00 0.00 N ATOM 1047 NH2 ARG A 68 -5.932 13.201 1.320 1.00 0.00 N ATOM 0 H ARG A 68 -1.211 10.812 -3.830 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.010 12.045 -1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.433 10.209 -1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.019 11.181 -0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.308 13.256 -1.646 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.506 12.368 -3.143 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.740 12.840 -2.535 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.532 11.201 -1.948 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.727 12.937 0.169 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.661 12.137 -1.657 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.746 12.531 -0.319 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.129 13.447 1.899 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.876 13.275 1.700 1.00 0.00 H new ATOM 1061 N ILE A 69 -0.203 8.740 -1.707 1.00 0.00 N ATOM 1062 CA ILE A 69 0.371 7.504 -1.201 1.00 0.00 C ATOM 1063 C ILE A 69 1.895 7.633 -1.164 1.00 0.00 C ATOM 1064 O ILE A 69 2.499 7.585 -0.093 1.00 0.00 O ATOM 1065 CB ILE A 69 -0.125 6.309 -2.018 1.00 0.00 C ATOM 1066 CG1 ILE A 69 -1.539 5.905 -1.595 1.00 0.00 C ATOM 1067 CG2 ILE A 69 0.856 5.139 -1.930 1.00 0.00 C ATOM 1068 CD1 ILE A 69 -2.269 5.191 -2.735 1.00 0.00 C ATOM 0 H ILE A 69 -0.932 8.616 -2.410 1.00 0.00 H new ATOM 0 HA ILE A 69 0.041 7.321 -0.179 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.175 6.608 -3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.489 5.251 -0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.100 6.791 -1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.479 4.303 -2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.827 5.448 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.962 4.831 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.271 4.915 -2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.338 5.856 -3.596 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.718 4.293 -3.014 1.00 0.00 H new ATOM 1080 N LEU A 70 2.473 7.794 -2.345 1.00 0.00 N ATOM 1081 CA LEU A 70 3.915 7.930 -2.460 1.00 0.00 C ATOM 1082 C LEU A 70 4.406 8.976 -1.457 1.00 0.00 C ATOM 1083 O LEU A 70 5.571 8.963 -1.062 1.00 0.00 O ATOM 1084 CB LEU A 70 4.310 8.232 -3.907 1.00 0.00 C ATOM 1085 CG LEU A 70 3.828 7.230 -4.958 1.00 0.00 C ATOM 1086 CD1 LEU A 70 4.060 7.765 -6.372 1.00 0.00 C ATOM 1087 CD2 LEU A 70 4.477 5.861 -4.748 1.00 0.00 C ATOM 0 H LEU A 70 1.969 7.833 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 70 4.408 6.991 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.925 9.217 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.397 8.290 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 70 2.753 7.098 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.709 7.034 -7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.512 8.698 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.124 7.945 -6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.117 5.167 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.560 5.956 -4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.217 5.483 -3.759 1.00 0.00 H new ATOM 1099 N ALA A 71 3.493 9.856 -1.074 1.00 0.00 N ATOM 1100 CA ALA A 71 3.818 10.907 -0.124 1.00 0.00 C ATOM 1101 C ALA A 71 3.892 10.311 1.283 1.00 0.00 C ATOM 1102 O ALA A 71 4.867 10.527 2.002 1.00 0.00 O ATOM 1103 CB ALA A 71 2.783 12.029 -0.229 1.00 0.00 C ATOM 0 H ALA A 71 2.528 9.863 -1.404 1.00 0.00 H new ATOM 0 HA ALA A 71 4.792 11.341 -0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.027 12.817 0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.791 12.438 -1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.792 11.632 -0.006 1.00 0.00 H new ATOM 1109 N VAL A 72 2.849 9.573 1.634 1.00 0.00 N ATOM 1110 CA VAL A 72 2.784 8.945 2.943 1.00 0.00 C ATOM 1111 C VAL A 72 3.296 7.507 2.840 1.00 0.00 C ATOM 1112 O VAL A 72 3.006 6.678 3.700 1.00 0.00 O ATOM 1113 CB VAL A 72 1.360 9.034 3.495 1.00 0.00 C ATOM 1114 CG1 VAL A 72 0.987 10.482 3.822 1.00 0.00 C ATOM 1115 CG2 VAL A 72 0.354 8.415 2.522 1.00 0.00 C ATOM 0 H VAL A 72 2.043 9.396 1.035 1.00 0.00 H new ATOM 0 HA VAL A 72 3.427 9.469 3.651 1.00 0.00 H new ATOM 0 HB VAL A 72 1.325 8.462 4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.030 10.516 4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.676 10.875 4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.049 11.087 2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.650 8.492 2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.393 8.946 1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.601 7.366 2.362 1.00 0.00 H new ATOM 1125 N ALA A 73 4.050 7.256 1.780 1.00 0.00 N ATOM 1126 CA ALA A 73 4.606 5.933 1.553 1.00 0.00 C ATOM 1127 C ALA A 73 5.284 5.443 2.834 1.00 0.00 C ATOM 1128 O ALA A 73 5.433 4.240 3.041 1.00 0.00 O ATOM 1129 CB ALA A 73 5.569 5.980 0.365 1.00 0.00 C ATOM 0 H ALA A 73 4.289 7.947 1.069 1.00 0.00 H new ATOM 0 HA ALA A 73 3.817 5.223 1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.986 4.987 0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.032 6.305 -0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.376 6.681 0.578 1.00 0.00 H new ATOM 1135 N ASP A 74 5.678 6.401 3.661 1.00 0.00 N ATOM 1136 CA ASP A 74 6.336 6.082 4.916 1.00 0.00 C ATOM 1137 C ASP A 74 5.299 5.566 5.915 1.00 0.00 C ATOM 1138 O ASP A 74 5.561 4.619 6.654 1.00 0.00 O ATOM 1139 CB ASP A 74 6.999 7.322 5.521 1.00 0.00 C ATOM 1140 CG ASP A 74 6.292 8.645 5.220 1.00 0.00 C ATOM 1141 OD1 ASP A 74 5.826 8.790 4.070 1.00 0.00 O ATOM 1142 OD2 ASP A 74 6.234 9.480 6.148 1.00 0.00 O ATOM 0 H ASP A 74 5.554 7.398 3.486 1.00 0.00 H new ATOM 0 HA ASP A 74 7.097 5.327 4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.055 7.195 6.602 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.024 7.383 5.154 1.00 0.00 H new ATOM 1147 N LYS A 75 4.142 6.212 5.905 1.00 0.00 N ATOM 1148 CA LYS A 75 3.064 5.831 6.801 1.00 0.00 C ATOM 1149 C LYS A 75 2.614 4.405 6.473 1.00 0.00 C ATOM 1150 O LYS A 75 2.546 3.553 7.357 1.00 0.00 O ATOM 1151 CB LYS A 75 1.933 6.860 6.747 1.00 0.00 C ATOM 1152 CG LYS A 75 2.375 8.193 7.354 1.00 0.00 C ATOM 1153 CD LYS A 75 3.414 8.881 6.467 1.00 0.00 C ATOM 1154 CE LYS A 75 3.487 10.380 6.769 1.00 0.00 C ATOM 1155 NZ LYS A 75 4.008 11.120 5.598 1.00 0.00 N ATOM 0 H LYS A 75 3.928 6.997 5.290 1.00 0.00 H new ATOM 0 HA LYS A 75 3.411 5.827 7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.624 7.012 5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.065 6.481 7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.510 8.844 7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.793 8.024 8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.392 8.426 6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.159 8.730 5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.497 10.753 7.031 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.131 10.552 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.987 12.141 5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.987 10.824 5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.417 10.916 4.767 1.00 0.00 H new ATOM 1169 N ILE A 76 2.320 4.190 5.199 1.00 0.00 N ATOM 1170 CA ILE A 76 1.879 2.883 4.744 1.00 0.00 C ATOM 1171 C ILE A 76 2.694 1.799 5.452 1.00 0.00 C ATOM 1172 O ILE A 76 3.908 1.713 5.273 1.00 0.00 O ATOM 1173 CB ILE A 76 1.940 2.799 3.217 1.00 0.00 C ATOM 1174 CG1 ILE A 76 0.886 3.704 2.575 1.00 0.00 C ATOM 1175 CG2 ILE A 76 1.817 1.350 2.742 1.00 0.00 C ATOM 1176 CD1 ILE A 76 1.343 4.186 1.197 1.00 0.00 C ATOM 0 H ILE A 76 2.379 4.899 4.468 1.00 0.00 H new ATOM 0 HA ILE A 76 0.834 2.720 5.008 1.00 0.00 H new ATOM 0 HB ILE A 76 2.916 3.162 2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.055 3.162 2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.697 4.562 3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.863 1.319 1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.634 0.760 3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.865 0.937 3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.576 4.827 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.271 4.748 1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.508 3.327 0.547 1.00 0.00 H new ATOM 1188 N LYS A 77 1.994 0.999 6.242 1.00 0.00 N ATOM 1189 CA LYS A 77 2.637 -0.076 6.978 1.00 0.00 C ATOM 1190 C LYS A 77 1.917 -1.393 6.683 1.00 0.00 C ATOM 1191 O LYS A 77 0.742 -1.550 7.012 1.00 0.00 O ATOM 1192 CB LYS A 77 2.710 0.264 8.468 1.00 0.00 C ATOM 1193 CG LYS A 77 3.398 -0.855 9.253 1.00 0.00 C ATOM 1194 CD LYS A 77 3.898 -0.348 10.607 1.00 0.00 C ATOM 1195 CE LYS A 77 3.544 -1.331 11.725 1.00 0.00 C ATOM 1196 NZ LYS A 77 4.327 -1.032 12.945 1.00 0.00 N ATOM 0 H LYS A 77 0.987 1.074 6.389 1.00 0.00 H new ATOM 0 HA LYS A 77 3.670 -0.197 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.255 1.198 8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.705 0.422 8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.701 -1.679 9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.235 -1.247 8.676 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.978 -0.207 10.570 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.457 0.625 10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.478 -1.271 11.946 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.745 -2.351 11.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.075 -1.708 13.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.342 -1.112 12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.115 -0.066 13.265 1.00 0.00 H new ATOM 1210 N PHE A 78 2.651 -2.307 6.065 1.00 0.00 N ATOM 1211 CA PHE A 78 2.097 -3.605 5.722 1.00 0.00 C ATOM 1212 C PHE A 78 2.246 -4.590 6.884 1.00 0.00 C ATOM 1213 O PHE A 78 3.175 -4.478 7.682 1.00 0.00 O ATOM 1214 CB PHE A 78 2.891 -4.128 4.523 1.00 0.00 C ATOM 1215 CG PHE A 78 2.391 -3.609 3.173 1.00 0.00 C ATOM 1216 CD1 PHE A 78 2.179 -2.278 2.991 1.00 0.00 C ATOM 1217 CD2 PHE A 78 2.159 -4.480 2.154 1.00 0.00 C ATOM 1218 CE1 PHE A 78 1.715 -1.797 1.738 1.00 0.00 C ATOM 1219 CE2 PHE A 78 1.695 -3.999 0.901 1.00 0.00 C ATOM 1220 CZ PHE A 78 1.483 -2.668 0.720 1.00 0.00 C ATOM 0 H PHE A 78 3.625 -2.174 5.793 1.00 0.00 H new ATOM 0 HA PHE A 78 1.035 -3.507 5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.938 -3.849 4.643 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.850 -5.217 4.520 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.364 -1.587 3.800 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.328 -5.537 2.298 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.547 -0.740 1.594 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.511 -4.690 0.092 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.130 -2.302 -0.233 1.00 0.00 H new ATOM 1230 N THR A 79 1.315 -5.531 6.943 1.00 0.00 N ATOM 1231 CA THR A 79 1.331 -6.534 7.994 1.00 0.00 C ATOM 1232 C THR A 79 1.378 -7.939 7.390 1.00 0.00 C ATOM 1233 O THR A 79 0.626 -8.248 6.467 1.00 0.00 O ATOM 1234 CB THR A 79 0.113 -6.299 8.890 1.00 0.00 C ATOM 1235 OG1 THR A 79 0.264 -4.953 9.334 1.00 0.00 O ATOM 1236 CG2 THR A 79 0.166 -7.124 10.178 1.00 0.00 C ATOM 0 H THR A 79 0.545 -5.620 6.280 1.00 0.00 H new ATOM 0 HA THR A 79 2.227 -6.448 8.609 1.00 0.00 H new ATOM 0 HB THR A 79 -0.796 -6.543 8.339 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.485 -4.716 9.920 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.721 -6.920 10.777 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.200 -8.185 9.929 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.057 -6.856 10.746 1.00 0.00 H new ATOM 1244 N VAL A 80 2.271 -8.753 7.935 1.00 0.00 N ATOM 1245 CA VAL A 80 2.426 -10.118 7.461 1.00 0.00 C ATOM 1246 C VAL A 80 2.228 -11.085 8.630 1.00 0.00 C ATOM 1247 O VAL A 80 3.137 -11.288 9.434 1.00 0.00 O ATOM 1248 CB VAL A 80 3.783 -10.282 6.774 1.00 0.00 C ATOM 1249 CG1 VAL A 80 4.051 -11.749 6.433 1.00 0.00 C ATOM 1250 CG2 VAL A 80 3.875 -9.403 5.525 1.00 0.00 C ATOM 0 H VAL A 80 2.894 -8.493 8.700 1.00 0.00 H new ATOM 0 HA VAL A 80 1.667 -10.351 6.714 1.00 0.00 H new ATOM 0 HB VAL A 80 4.554 -9.954 7.472 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.022 -11.838 5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.049 -12.341 7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.273 -12.115 5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.849 -9.538 5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.091 -9.686 4.822 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.750 -8.357 5.806 1.00 0.00 H new