USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 575 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 49 GLN : amide:sc= 1.06 K(o=2,f=-1.5) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.962 K(o=2,f=-1.9) USER MOD Set 2.1: A 39 HIS : no HE2:sc= 0.541 K(o=0.61,f=-4!) USER MOD Set 2.2: A 63 HIS : no HE2:sc= 0.0707 K(o=0.61,f=-2.8!) USER MOD Set 3.1: A 30 TYR OH : rot -80:sc= 1.23 USER MOD Set 3.2: A 71 SER OG : rot -59:sc= 2.28 USER MOD Set 4.1: A 20 SER OG : rot -94:sc= 1.36 USER MOD Set 4.2: A 33 THR OG1 : rot 134:sc= 0.976 USER MOD Single : A 5 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0986) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.156 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 13 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=-0.52) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 120:sc=-0.00359 USER MOD Single : A 26 HIS : no HE2:sc= -0.365 K(o=-0.37,f=-3.1!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= 0.881 (180deg=0.0463) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 170:sc= -0.241 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -132:sc= 1.32 USER MOD Single : A 80 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.673 -8.800 -11.694 1.00 0.00 N ATOM 66 CA LYS A 5 1.394 -8.903 -10.427 1.00 0.00 C ATOM 67 C LYS A 5 0.416 -9.224 -9.284 1.00 0.00 C ATOM 68 O LYS A 5 0.332 -8.530 -8.278 1.00 0.00 O ATOM 69 CB LYS A 5 2.327 -7.700 -10.192 1.00 0.00 C ATOM 70 CG LYS A 5 3.815 -7.880 -10.552 1.00 0.00 C ATOM 71 CD LYS A 5 4.268 -7.101 -11.796 1.00 0.00 C ATOM 72 CE LYS A 5 5.744 -6.670 -11.696 1.00 0.00 C ATOM 73 NZ LYS A 5 6.644 -7.772 -11.293 1.00 0.00 N ATOM 0 HA LYS A 5 2.082 -9.748 -10.465 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.941 -6.857 -10.764 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.265 -7.426 -9.139 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.422 -7.567 -9.702 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.012 -8.940 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.129 -7.720 -12.683 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.640 -6.219 -11.921 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.068 -6.278 -12.660 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.831 -5.856 -10.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.633 -7.471 -11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.468 -8.017 -10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.464 -8.603 -11.891 1.00 0.00 H new ATOM 87 N TYR A 6 -0.326 -10.324 -9.408 1.00 0.00 N ATOM 88 CA TYR A 6 -1.133 -10.786 -8.292 1.00 0.00 C ATOM 89 C TYR A 6 -0.231 -11.266 -7.153 1.00 0.00 C ATOM 90 O TYR A 6 0.691 -12.042 -7.389 1.00 0.00 O ATOM 91 CB TYR A 6 -2.104 -11.885 -8.729 1.00 0.00 C ATOM 92 CG TYR A 6 -3.396 -11.369 -9.330 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.237 -10.542 -8.562 1.00 0.00 C ATOM 94 CD2 TYR A 6 -3.852 -11.866 -10.564 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.495 -10.161 -9.054 1.00 0.00 C ATOM 96 CE2 TYR A 6 -5.072 -11.414 -11.095 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.876 -10.532 -10.352 1.00 0.00 C ATOM 98 OH TYR A 6 -7.053 -10.087 -10.869 1.00 0.00 O ATOM 0 H TYR A 6 -0.382 -10.896 -10.250 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.731 -9.950 -7.930 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.607 -12.525 -9.458 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.341 -12.509 -7.867 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.913 -10.199 -7.590 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.265 -12.595 -11.103 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.167 -9.584 -8.436 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.392 -11.744 -12.073 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.164 -10.436 -11.778 1.00 0.00 H new ATOM 108 N TYR A 7 -0.513 -10.807 -5.931 1.00 0.00 N ATOM 109 CA TYR A 7 0.198 -11.151 -4.712 1.00 0.00 C ATOM 110 C TYR A 7 -0.800 -11.673 -3.671 1.00 0.00 C ATOM 111 O TYR A 7 -1.918 -11.161 -3.574 1.00 0.00 O ATOM 112 CB TYR A 7 0.901 -9.885 -4.215 1.00 0.00 C ATOM 113 CG TYR A 7 2.001 -9.347 -5.116 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.061 -10.178 -5.527 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.018 -7.984 -5.466 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.104 -9.659 -6.316 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.093 -7.455 -6.202 1.00 0.00 C ATOM 118 CZ TYR A 7 4.120 -8.297 -6.653 1.00 0.00 C ATOM 119 OH TYR A 7 5.145 -7.777 -7.386 1.00 0.00 O ATOM 0 H TYR A 7 -1.280 -10.156 -5.764 1.00 0.00 H new ATOM 0 HA TYR A 7 0.935 -11.934 -4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.152 -9.104 -4.080 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.328 -10.090 -3.233 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.073 -11.218 -5.235 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.202 -7.342 -5.168 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.893 -10.310 -6.663 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.128 -6.398 -6.421 1.00 0.00 H new ATOM 0 HH TYR A 7 4.993 -6.819 -7.527 1.00 0.00 H new ATOM 129 N THR A 8 -0.421 -12.704 -2.907 1.00 0.00 N ATOM 130 CA THR A 8 -1.267 -13.333 -1.899 1.00 0.00 C ATOM 131 C THR A 8 -1.119 -12.636 -0.548 1.00 0.00 C ATOM 132 O THR A 8 -0.104 -11.999 -0.276 1.00 0.00 O ATOM 133 CB THR A 8 -0.864 -14.809 -1.780 1.00 0.00 C ATOM 134 OG1 THR A 8 0.541 -14.871 -1.666 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.304 -15.618 -3.001 1.00 0.00 C ATOM 0 H THR A 8 0.503 -13.130 -2.978 1.00 0.00 H new ATOM 0 HA THR A 8 -2.311 -13.251 -2.200 1.00 0.00 H new ATOM 0 HB THR A 8 -1.354 -15.237 -0.905 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.822 -15.807 -1.587 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.000 -16.657 -2.878 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.388 -15.566 -3.100 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.838 -15.207 -3.897 1.00 0.00 H new ATOM 143 N LEU A 9 -2.128 -12.772 0.318 1.00 0.00 N ATOM 144 CA LEU A 9 -2.166 -12.083 1.593 1.00 0.00 C ATOM 145 C LEU A 9 -0.908 -12.375 2.397 1.00 0.00 C ATOM 146 O LEU A 9 -0.214 -11.440 2.771 1.00 0.00 O ATOM 147 CB LEU A 9 -3.413 -12.470 2.394 1.00 0.00 C ATOM 148 CG LEU A 9 -4.754 -11.996 1.819 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.721 -10.531 1.375 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.268 -12.883 0.683 1.00 0.00 C ATOM 0 H LEU A 9 -2.939 -13.366 0.146 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.211 -11.012 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.441 -13.556 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.311 -12.071 3.403 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.458 -12.082 2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.696 -10.250 0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.481 -9.897 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.962 -10.402 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.219 -12.494 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.543 -12.888 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.408 -13.900 1.050 1.00 0.00 H new ATOM 162 N GLU A 10 -0.598 -13.652 2.638 1.00 0.00 N ATOM 163 CA GLU A 10 0.595 -14.031 3.383 1.00 0.00 C ATOM 164 C GLU A 10 1.842 -13.353 2.799 1.00 0.00 C ATOM 165 O GLU A 10 2.658 -12.802 3.532 1.00 0.00 O ATOM 166 CB GLU A 10 0.748 -15.566 3.420 1.00 0.00 C ATOM 167 CG GLU A 10 0.798 -16.093 4.861 1.00 0.00 C ATOM 168 CD GLU A 10 -0.583 -16.104 5.506 1.00 0.00 C ATOM 169 OE1 GLU A 10 -1.273 -17.130 5.328 1.00 0.00 O ATOM 170 OE2 GLU A 10 -0.922 -15.089 6.149 1.00 0.00 O ATOM 0 H GLU A 10 -1.163 -14.441 2.324 1.00 0.00 H new ATOM 0 HA GLU A 10 0.485 -13.684 4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.086 -16.028 2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.658 -15.855 2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.210 -17.102 4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.471 -15.472 5.452 1.00 0.00 H new ATOM 177 N GLU A 11 1.991 -13.369 1.472 1.00 0.00 N ATOM 178 CA GLU A 11 3.134 -12.758 0.813 1.00 0.00 C ATOM 179 C GLU A 11 3.185 -11.264 1.157 1.00 0.00 C ATOM 180 O GLU A 11 4.139 -10.780 1.766 1.00 0.00 O ATOM 181 CB GLU A 11 3.039 -13.031 -0.695 1.00 0.00 C ATOM 182 CG GLU A 11 4.338 -12.727 -1.449 1.00 0.00 C ATOM 183 CD GLU A 11 4.208 -13.038 -2.938 1.00 0.00 C ATOM 184 OE1 GLU A 11 3.442 -13.969 -3.266 1.00 0.00 O ATOM 185 OE2 GLU A 11 4.874 -12.330 -3.721 1.00 0.00 O ATOM 0 H GLU A 11 1.325 -13.804 0.834 1.00 0.00 H new ATOM 0 HA GLU A 11 4.071 -13.190 1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.772 -14.076 -0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.233 -12.430 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.599 -11.677 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.152 -13.314 -1.024 1.00 0.00 H new ATOM 192 N ILE A 12 2.116 -10.541 0.823 1.00 0.00 N ATOM 193 CA ILE A 12 2.022 -9.103 1.046 1.00 0.00 C ATOM 194 C ILE A 12 2.246 -8.789 2.539 1.00 0.00 C ATOM 195 O ILE A 12 2.948 -7.845 2.887 1.00 0.00 O ATOM 196 CB ILE A 12 0.665 -8.587 0.525 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.397 -8.951 -0.944 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.570 -7.061 0.633 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.106 -8.892 -1.235 1.00 0.00 C ATOM 0 H ILE A 12 1.286 -10.942 0.387 1.00 0.00 H new ATOM 0 HA ILE A 12 2.802 -8.582 0.490 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.077 -9.076 1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.930 -8.263 -1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.777 -9.951 -1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.398 -6.729 0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.677 -6.763 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.364 -6.604 0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.285 -9.152 -2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.629 -9.598 -0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.474 -7.884 -1.043 1.00 0.00 H new ATOM 211 N GLN A 13 1.702 -9.621 3.426 1.00 0.00 N ATOM 212 CA GLN A 13 1.814 -9.511 4.874 1.00 0.00 C ATOM 213 C GLN A 13 3.270 -9.647 5.325 1.00 0.00 C ATOM 214 O GLN A 13 3.679 -9.012 6.295 1.00 0.00 O ATOM 215 CB GLN A 13 0.923 -10.577 5.534 1.00 0.00 C ATOM 216 CG GLN A 13 0.801 -10.406 7.061 1.00 0.00 C ATOM 217 CD GLN A 13 1.265 -11.610 7.885 1.00 0.00 C ATOM 218 OE1 GLN A 13 1.894 -12.542 7.391 1.00 0.00 O ATOM 219 NE2 GLN A 13 0.981 -11.586 9.184 1.00 0.00 N ATOM 0 H GLN A 13 1.146 -10.426 3.138 1.00 0.00 H new ATOM 0 HA GLN A 13 1.474 -8.523 5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.071 -10.536 5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.328 -11.565 5.317 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.381 -9.534 7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.240 -10.196 7.306 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.458 -10.804 9.577 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.287 -12.350 9.787 1.00 0.00 H new ATOM 228 N LYS A 14 4.064 -10.477 4.646 1.00 0.00 N ATOM 229 CA LYS A 14 5.479 -10.620 4.966 1.00 0.00 C ATOM 230 C LYS A 14 6.242 -9.367 4.493 1.00 0.00 C ATOM 231 O LYS A 14 7.219 -8.959 5.124 1.00 0.00 O ATOM 232 CB LYS A 14 6.009 -11.947 4.392 1.00 0.00 C ATOM 233 CG LYS A 14 5.299 -13.163 5.027 1.00 0.00 C ATOM 234 CD LYS A 14 5.905 -13.648 6.352 1.00 0.00 C ATOM 235 CE LYS A 14 6.927 -14.776 6.140 1.00 0.00 C ATOM 236 NZ LYS A 14 7.329 -15.399 7.418 1.00 0.00 N ATOM 0 H LYS A 14 3.747 -11.059 3.871 1.00 0.00 H new ATOM 0 HA LYS A 14 5.636 -10.679 6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.862 -11.962 3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.082 -12.018 4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.253 -12.907 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.315 -13.987 4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.388 -12.812 6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.108 -13.999 7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.500 -15.535 5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.808 -14.378 5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.019 -16.155 7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.759 -14.680 8.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.492 -15.801 7.887 1.00 0.00 H new ATOM 250 N HIS A 15 5.775 -8.721 3.417 1.00 0.00 N ATOM 251 CA HIS A 15 6.332 -7.473 2.896 1.00 0.00 C ATOM 252 C HIS A 15 5.958 -6.258 3.761 1.00 0.00 C ATOM 253 O HIS A 15 5.027 -5.510 3.463 1.00 0.00 O ATOM 254 CB HIS A 15 5.889 -7.282 1.443 1.00 0.00 C ATOM 255 CG HIS A 15 6.792 -7.956 0.451 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.841 -7.351 -0.199 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.764 -9.271 0.079 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.445 -8.292 -0.943 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.833 -9.478 -0.801 1.00 0.00 N ATOM 0 H HIS A 15 4.981 -9.062 2.875 1.00 0.00 H new ATOM 0 HA HIS A 15 7.419 -7.546 2.932 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.878 -7.671 1.325 1.00 0.00 H new ATOM 0 HB3 HIS A 15 5.849 -6.216 1.220 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.050 -10.013 0.404 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.307 -8.118 -1.571 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.095 -10.357 -1.247 1.00 0.00 H new ATOM 267 N LYS A 16 6.740 -6.031 4.815 1.00 0.00 N ATOM 268 CA LYS A 16 6.536 -4.937 5.769 1.00 0.00 C ATOM 269 C LYS A 16 7.746 -4.693 6.670 1.00 0.00 C ATOM 270 O LYS A 16 7.951 -3.572 7.134 1.00 0.00 O ATOM 271 CB LYS A 16 5.268 -5.174 6.598 1.00 0.00 C ATOM 272 CG LYS A 16 5.251 -6.513 7.340 1.00 0.00 C ATOM 273 CD LYS A 16 5.630 -6.352 8.814 1.00 0.00 C ATOM 274 CE LYS A 16 6.034 -7.715 9.386 1.00 0.00 C ATOM 275 NZ LYS A 16 5.844 -7.758 10.849 1.00 0.00 N ATOM 0 H LYS A 16 7.549 -6.612 5.036 1.00 0.00 H new ATOM 0 HA LYS A 16 6.408 -4.028 5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.164 -4.367 7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.401 -5.124 5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.258 -6.956 7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.945 -7.203 6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.453 -5.644 8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.789 -5.944 9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.441 -8.500 8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.078 -7.918 9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.126 -8.692 11.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.429 -7.024 11.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.843 -7.588 11.074 1.00 0.00 H new ATOM 334 N SER A 20 11.017 -3.635 2.759 1.00 0.00 N ATOM 335 CA SER A 20 10.031 -3.160 1.801 1.00 0.00 C ATOM 336 C SER A 20 8.683 -2.982 2.507 1.00 0.00 C ATOM 337 O SER A 20 8.201 -3.930 3.124 1.00 0.00 O ATOM 338 CB SER A 20 9.964 -4.154 0.631 1.00 0.00 C ATOM 339 OG SER A 20 9.242 -3.669 -0.480 1.00 0.00 O ATOM 0 HA SER A 20 10.310 -2.188 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.978 -4.400 0.316 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.504 -5.080 0.977 1.00 0.00 H new ATOM 0 HG SER A 20 8.311 -3.970 -0.422 1.00 0.00 H new ATOM 345 N THR A 21 8.097 -1.780 2.447 1.00 0.00 N ATOM 346 CA THR A 21 6.786 -1.480 2.997 1.00 0.00 C ATOM 347 C THR A 21 5.780 -1.538 1.851 1.00 0.00 C ATOM 348 O THR A 21 5.709 -0.631 1.016 1.00 0.00 O ATOM 349 CB THR A 21 6.818 -0.121 3.712 1.00 0.00 C ATOM 350 OG1 THR A 21 7.427 -0.300 4.975 1.00 0.00 O ATOM 351 CG2 THR A 21 5.415 0.453 3.913 1.00 0.00 C ATOM 0 H THR A 21 8.539 -0.975 2.002 1.00 0.00 H new ATOM 0 HA THR A 21 6.486 -2.207 3.751 1.00 0.00 H new ATOM 0 HB THR A 21 7.378 0.581 3.094 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.229 0.260 5.034 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.485 1.414 4.422 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.935 0.590 2.944 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.823 -0.235 4.517 1.00 0.00 H new ATOM 359 N TRP A 22 5.020 -2.633 1.816 1.00 0.00 N ATOM 360 CA TRP A 22 3.900 -2.808 0.910 1.00 0.00 C ATOM 361 C TRP A 22 2.614 -2.504 1.662 1.00 0.00 C ATOM 362 O TRP A 22 2.603 -2.519 2.892 1.00 0.00 O ATOM 363 CB TRP A 22 3.896 -4.233 0.382 1.00 0.00 C ATOM 364 CG TRP A 22 4.974 -4.543 -0.608 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.113 -3.849 -0.831 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.990 -5.637 -1.559 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.820 -4.433 -1.854 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.181 -5.557 -2.338 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.087 -6.673 -1.846 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.466 -6.484 -3.351 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.372 -7.624 -2.841 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.560 -7.533 -3.589 1.00 0.00 C ATOM 0 H TRP A 22 5.174 -3.433 2.430 1.00 0.00 H new ATOM 0 HA TRP A 22 3.984 -2.129 0.061 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.990 -4.917 1.225 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.930 -4.430 -0.082 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.421 -2.968 -0.287 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.707 -4.080 -2.212 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.161 -6.740 -1.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.367 -6.394 -3.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.676 -8.428 -3.032 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.777 -8.270 -4.348 1.00 0.00 H new ATOM 383 N VAL A 23 1.548 -2.220 0.918 1.00 0.00 N ATOM 384 CA VAL A 23 0.208 -2.016 1.439 1.00 0.00 C ATOM 385 C VAL A 23 -0.786 -2.313 0.321 1.00 0.00 C ATOM 386 O VAL A 23 -0.425 -2.256 -0.856 1.00 0.00 O ATOM 387 CB VAL A 23 0.012 -0.579 1.951 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.549 -0.348 3.366 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.638 0.456 1.021 1.00 0.00 C ATOM 0 H VAL A 23 1.600 -2.123 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 23 0.048 -2.684 2.285 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.070 -0.451 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.374 0.688 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.037 -1.012 4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.619 -0.555 3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.473 1.455 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.709 0.270 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.180 0.383 0.035 1.00 0.00 H new ATOM 399 N ILE A 24 -2.037 -2.602 0.697 1.00 0.00 N ATOM 400 CA ILE A 24 -3.151 -2.826 -0.205 1.00 0.00 C ATOM 401 C ILE A 24 -4.240 -1.793 0.071 1.00 0.00 C ATOM 402 O ILE A 24 -4.818 -1.789 1.160 1.00 0.00 O ATOM 403 CB ILE A 24 -3.663 -4.271 -0.110 1.00 0.00 C ATOM 404 CG1 ILE A 24 -4.161 -4.658 1.288 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.550 -5.231 -0.526 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.688 -4.744 1.389 1.00 0.00 C ATOM 0 H ILE A 24 -2.302 -2.687 1.678 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.819 -2.696 -1.235 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.519 -4.341 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.731 -5.621 1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.797 -3.927 2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.911 -6.257 -0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.250 -5.018 -1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.694 -5.104 0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.970 -5.022 2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.124 -3.776 1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.057 -5.496 0.691 1.00 0.00 H new ATOM 418 N LEU A 25 -4.493 -0.903 -0.894 1.00 0.00 N ATOM 419 CA LEU A 25 -5.509 0.137 -0.772 1.00 0.00 C ATOM 420 C LEU A 25 -6.507 -0.078 -1.907 1.00 0.00 C ATOM 421 O LEU A 25 -6.117 -0.019 -3.069 1.00 0.00 O ATOM 422 CB LEU A 25 -4.902 1.549 -0.789 1.00 0.00 C ATOM 423 CG LEU A 25 -3.571 1.673 -0.031 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.039 3.092 -0.132 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.664 1.410 1.464 1.00 0.00 C ATOM 0 H LEU A 25 -3.995 -0.887 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.012 0.062 0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.747 1.853 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.620 2.246 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.934 0.922 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.096 3.166 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.877 3.346 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.762 3.783 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.678 1.520 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.352 2.124 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.029 0.397 1.633 1.00 0.00 H new ATOM 437 N HIS A 26 -7.769 -0.384 -1.585 1.00 0.00 N ATOM 438 CA HIS A 26 -8.811 -0.634 -2.587 1.00 0.00 C ATOM 439 C HIS A 26 -8.385 -1.694 -3.615 1.00 0.00 C ATOM 440 O HIS A 26 -8.389 -1.451 -4.819 1.00 0.00 O ATOM 441 CB HIS A 26 -9.248 0.675 -3.269 1.00 0.00 C ATOM 442 CG HIS A 26 -10.031 1.583 -2.362 1.00 0.00 C ATOM 443 ND1 HIS A 26 -11.397 1.561 -2.182 1.00 0.00 N ATOM 444 CD2 HIS A 26 -9.517 2.552 -1.546 1.00 0.00 C ATOM 445 CE1 HIS A 26 -11.696 2.495 -1.266 1.00 0.00 C ATOM 446 NE2 HIS A 26 -10.583 3.120 -0.853 1.00 0.00 N ATOM 0 H HIS A 26 -8.097 -0.465 -0.622 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.675 -1.040 -2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.364 1.203 -3.626 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.853 0.437 -4.144 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -12.059 0.948 -2.657 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.476 2.826 -1.456 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.692 2.713 -0.911 1.00 0.00 H new ATOM 454 N HIS A 27 -8.065 -2.897 -3.128 1.00 0.00 N ATOM 455 CA HIS A 27 -7.779 -4.068 -3.958 1.00 0.00 C ATOM 456 C HIS A 27 -6.648 -3.799 -4.957 1.00 0.00 C ATOM 457 O HIS A 27 -6.746 -4.135 -6.139 1.00 0.00 O ATOM 458 CB HIS A 27 -9.052 -4.546 -4.676 1.00 0.00 C ATOM 459 CG HIS A 27 -10.253 -4.691 -3.778 1.00 0.00 C ATOM 460 ND1 HIS A 27 -10.283 -5.286 -2.537 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.507 -4.208 -4.038 1.00 0.00 C ATOM 462 CE1 HIS A 27 -11.535 -5.156 -2.063 1.00 0.00 C ATOM 463 NE2 HIS A 27 -12.323 -4.531 -2.953 1.00 0.00 N ATOM 0 H HIS A 27 -7.997 -3.086 -2.128 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.437 -4.865 -3.297 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.292 -3.842 -5.473 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.849 -5.507 -5.150 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.811 -3.672 -4.925 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.863 -5.507 -1.096 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.319 -4.332 -2.855 1.00 0.00 H new ATOM 471 N LYS A 28 -5.558 -3.203 -4.478 1.00 0.00 N ATOM 472 CA LYS A 28 -4.436 -2.837 -5.318 1.00 0.00 C ATOM 473 C LYS A 28 -3.201 -2.765 -4.426 1.00 0.00 C ATOM 474 O LYS A 28 -3.251 -2.079 -3.404 1.00 0.00 O ATOM 475 CB LYS A 28 -4.732 -1.480 -5.970 1.00 0.00 C ATOM 476 CG LYS A 28 -4.125 -1.383 -7.376 1.00 0.00 C ATOM 477 CD LYS A 28 -5.213 -1.478 -8.460 1.00 0.00 C ATOM 478 CE LYS A 28 -4.811 -2.354 -9.659 1.00 0.00 C ATOM 479 NZ LYS A 28 -5.634 -3.577 -9.719 1.00 0.00 N ATOM 0 H LYS A 28 -5.435 -2.963 -3.494 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.267 -3.565 -6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.810 -1.331 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.333 -0.681 -5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.587 -0.440 -7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.397 -2.182 -7.517 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.123 -1.880 -8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.448 -0.475 -8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.927 -1.788 -10.583 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.758 -2.623 -9.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.149 -4.294 -10.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.778 -3.946 -8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.556 -3.355 -10.146 1.00 0.00 H new ATOM 493 N VAL A 29 -2.138 -3.499 -4.777 1.00 0.00 N ATOM 494 CA VAL A 29 -0.942 -3.611 -3.961 1.00 0.00 C ATOM 495 C VAL A 29 0.061 -2.562 -4.442 1.00 0.00 C ATOM 496 O VAL A 29 0.479 -2.564 -5.606 1.00 0.00 O ATOM 497 CB VAL A 29 -0.362 -5.041 -3.973 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.766 -5.122 -2.933 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.394 -6.131 -3.638 1.00 0.00 C ATOM 0 H VAL A 29 -2.092 -4.033 -5.645 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.188 -3.418 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.010 -5.227 -4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.186 -6.128 -2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.546 -4.404 -3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.367 -4.892 -1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.913 -7.109 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.799 -5.954 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.202 -6.104 -4.369 1.00 0.00 H new ATOM 509 N TYR A 30 0.416 -1.652 -3.535 1.00 0.00 N ATOM 510 CA TYR A 30 1.302 -0.533 -3.796 1.00 0.00 C ATOM 511 C TYR A 30 2.585 -0.727 -2.992 1.00 0.00 C ATOM 512 O TYR A 30 2.510 -1.067 -1.809 1.00 0.00 O ATOM 513 CB TYR A 30 0.581 0.766 -3.411 1.00 0.00 C ATOM 514 CG TYR A 30 -0.698 1.011 -4.190 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.624 1.271 -5.565 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.957 0.980 -3.562 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.787 1.515 -6.311 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.110 1.325 -4.289 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.024 1.596 -5.662 1.00 0.00 C ATOM 520 OH TYR A 30 -4.120 2.023 -6.348 1.00 0.00 O ATOM 0 H TYR A 30 0.082 -1.680 -2.572 1.00 0.00 H new ATOM 0 HA TYR A 30 1.567 -0.476 -4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.348 0.739 -2.347 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.257 1.606 -3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.338 1.284 -6.056 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.037 0.692 -2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.728 1.640 -7.382 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.065 1.381 -3.788 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.115 3.002 -6.396 1.00 0.00 H new ATOM 530 N ASP A 31 3.748 -0.518 -3.622 1.00 0.00 N ATOM 531 CA ASP A 31 5.015 -0.440 -2.900 1.00 0.00 C ATOM 532 C ASP A 31 5.225 1.015 -2.530 1.00 0.00 C ATOM 533 O ASP A 31 5.100 1.885 -3.392 1.00 0.00 O ATOM 534 CB ASP A 31 6.211 -0.921 -3.730 1.00 0.00 C ATOM 535 CG ASP A 31 7.499 -0.769 -2.927 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.980 0.378 -2.808 1.00 0.00 O ATOM 537 OD2 ASP A 31 7.972 -1.777 -2.357 1.00 0.00 O ATOM 0 H ASP A 31 3.833 -0.400 -4.632 1.00 0.00 H new ATOM 0 HA ASP A 31 4.959 -1.092 -2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.071 -1.964 -4.014 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.278 -0.345 -4.653 1.00 0.00 H new ATOM 542 N LEU A 32 5.527 1.283 -1.261 1.00 0.00 N ATOM 543 CA LEU A 32 5.807 2.637 -0.813 1.00 0.00 C ATOM 544 C LEU A 32 7.175 2.677 -0.133 1.00 0.00 C ATOM 545 O LEU A 32 7.478 3.593 0.630 1.00 0.00 O ATOM 546 CB LEU A 32 4.654 3.101 0.085 1.00 0.00 C ATOM 547 CG LEU A 32 3.283 2.969 -0.612 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.182 3.196 0.413 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.042 3.887 -1.825 1.00 0.00 C ATOM 0 H LEU A 32 5.583 0.576 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 32 5.864 3.334 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.651 2.513 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.815 4.140 0.373 1.00 0.00 H new ATOM 0 HG LEU A 32 3.273 1.959 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.210 3.105 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.264 2.452 1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.282 4.194 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.046 3.703 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.120 4.929 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.788 3.680 -2.592 1.00 0.00 H new ATOM 561 N THR A 33 8.034 1.712 -0.463 1.00 0.00 N ATOM 562 CA THR A 33 9.326 1.504 0.159 1.00 0.00 C ATOM 563 C THR A 33 10.234 2.713 -0.059 1.00 0.00 C ATOM 564 O THR A 33 10.958 3.106 0.852 1.00 0.00 O ATOM 565 CB THR A 33 9.915 0.197 -0.390 1.00 0.00 C ATOM 566 OG1 THR A 33 9.034 -0.868 -0.077 1.00 0.00 O ATOM 567 CG2 THR A 33 11.298 -0.101 0.191 1.00 0.00 C ATOM 0 H THR A 33 7.835 1.034 -1.198 1.00 0.00 H new ATOM 0 HA THR A 33 9.226 1.407 1.240 1.00 0.00 H new ATOM 0 HB THR A 33 10.029 0.304 -1.469 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.908 -1.432 -0.869 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.674 -1.035 -0.226 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.981 0.710 -0.061 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.226 -0.191 1.275 1.00 0.00 H new ATOM 575 N LYS A 34 10.185 3.323 -1.249 1.00 0.00 N ATOM 576 CA LYS A 34 10.878 4.570 -1.534 1.00 0.00 C ATOM 577 C LYS A 34 9.902 5.745 -1.620 1.00 0.00 C ATOM 578 O LYS A 34 10.203 6.742 -2.269 1.00 0.00 O ATOM 579 CB LYS A 34 11.675 4.415 -2.830 1.00 0.00 C ATOM 580 CG LYS A 34 12.800 3.384 -2.681 1.00 0.00 C ATOM 581 CD LYS A 34 14.006 3.766 -3.559 1.00 0.00 C ATOM 582 CE LYS A 34 14.643 2.540 -4.220 1.00 0.00 C ATOM 583 NZ LYS A 34 13.881 2.114 -5.412 1.00 0.00 N ATOM 0 H LYS A 34 9.658 2.957 -2.042 1.00 0.00 H new ATOM 0 HA LYS A 34 11.564 4.790 -0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.006 4.111 -3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.099 5.378 -3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.108 3.323 -1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.435 2.397 -2.964 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.686 4.468 -4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.751 4.278 -2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.669 2.771 -4.506 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.688 1.720 -3.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.338 1.282 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.909 1.871 -5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.859 2.889 -6.105 1.00 0.00 H new ATOM 597 N PHE A 35 8.743 5.640 -0.967 1.00 0.00 N ATOM 598 CA PHE A 35 7.782 6.732 -0.882 1.00 0.00 C ATOM 599 C PHE A 35 7.652 7.232 0.557 1.00 0.00 C ATOM 600 O PHE A 35 7.038 8.264 0.790 1.00 0.00 O ATOM 601 CB PHE A 35 6.443 6.269 -1.456 1.00 0.00 C ATOM 602 CG PHE A 35 5.324 7.293 -1.431 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.505 8.568 -1.998 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.116 6.987 -0.784 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.459 9.504 -1.976 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.068 7.915 -0.769 1.00 0.00 C ATOM 607 CZ PHE A 35 3.239 9.176 -1.362 1.00 0.00 C ATOM 0 H PHE A 35 8.448 4.792 -0.483 1.00 0.00 H new ATOM 0 HA PHE A 35 8.133 7.577 -1.473 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.600 5.956 -2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.117 5.389 -0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.451 8.827 -2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.995 6.031 -0.296 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.592 10.475 -2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.128 7.661 -0.301 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.432 9.894 -1.346 1.00 0.00 H new ATOM 617 N LEU A 36 8.244 6.531 1.529 1.00 0.00 N ATOM 618 CA LEU A 36 8.105 6.843 2.939 1.00 0.00 C ATOM 619 C LEU A 36 8.389 8.318 3.227 1.00 0.00 C ATOM 620 O LEU A 36 7.546 9.016 3.782 1.00 0.00 O ATOM 621 CB LEU A 36 9.020 5.913 3.746 1.00 0.00 C ATOM 622 CG LEU A 36 8.596 4.433 3.785 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.319 3.714 4.927 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.090 4.265 4.002 1.00 0.00 C ATOM 0 H LEU A 36 8.839 5.722 1.348 1.00 0.00 H new ATOM 0 HA LEU A 36 7.072 6.675 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.026 5.973 3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.074 6.284 4.769 1.00 0.00 H new ATOM 0 HG LEU A 36 8.861 4.005 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.014 2.668 4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.396 3.775 4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.062 4.187 5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.841 3.204 4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.806 4.722 4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.549 4.749 3.189 1.00 0.00 H new ATOM 636 N GLU A 37 9.572 8.802 2.846 1.00 0.00 N ATOM 637 CA GLU A 37 9.951 10.185 3.100 1.00 0.00 C ATOM 638 C GLU A 37 9.212 11.138 2.149 1.00 0.00 C ATOM 639 O GLU A 37 8.748 12.197 2.565 1.00 0.00 O ATOM 640 CB GLU A 37 11.480 10.306 3.024 1.00 0.00 C ATOM 641 CG GLU A 37 11.985 11.570 3.730 1.00 0.00 C ATOM 642 CD GLU A 37 13.497 11.533 3.921 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.954 10.592 4.606 1.00 0.00 O ATOM 644 OE2 GLU A 37 14.167 12.436 3.376 1.00 0.00 O ATOM 0 H GLU A 37 10.282 8.253 2.360 1.00 0.00 H new ATOM 0 HA GLU A 37 9.648 10.483 4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.938 9.428 3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.792 10.323 1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.712 12.449 3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.496 11.667 4.699 1.00 0.00 H new ATOM 651 N GLU A 38 9.086 10.748 0.875 1.00 0.00 N ATOM 652 CA GLU A 38 8.400 11.536 -0.151 1.00 0.00 C ATOM 653 C GLU A 38 6.942 11.834 0.224 1.00 0.00 C ATOM 654 O GLU A 38 6.420 12.893 -0.116 1.00 0.00 O ATOM 655 CB GLU A 38 8.471 10.799 -1.499 1.00 0.00 C ATOM 656 CG GLU A 38 9.641 11.268 -2.376 1.00 0.00 C ATOM 657 CD GLU A 38 9.215 12.405 -3.299 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.993 13.515 -2.774 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.097 12.132 -4.514 1.00 0.00 O ATOM 0 H GLU A 38 9.462 9.867 0.526 1.00 0.00 H new ATOM 0 HA GLU A 38 8.908 12.497 -0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.566 9.728 -1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.536 10.949 -2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.464 11.599 -1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.012 10.433 -2.970 1.00 0.00 H new ATOM 666 N HIS A 39 6.263 10.888 0.878 1.00 0.00 N ATOM 667 CA HIS A 39 4.853 10.990 1.224 1.00 0.00 C ATOM 668 C HIS A 39 4.554 12.312 1.927 1.00 0.00 C ATOM 669 O HIS A 39 5.004 12.503 3.061 1.00 0.00 O ATOM 670 CB HIS A 39 4.458 9.805 2.096 1.00 0.00 C ATOM 671 CG HIS A 39 3.041 9.810 2.631 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.703 9.675 3.955 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.877 9.715 1.915 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.377 9.505 4.029 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.819 9.510 2.806 1.00 0.00 N ATOM 0 H HIS A 39 6.691 10.015 1.185 1.00 0.00 H new ATOM 0 HA HIS A 39 4.262 10.969 0.309 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.603 8.892 1.519 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.143 9.759 2.942 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.349 9.700 4.744 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.791 9.787 0.841 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.828 9.380 4.950 1.00 0.00 H new ATOM 683 N PRO A 40 3.781 13.208 1.286 1.00 0.00 N ATOM 684 CA PRO A 40 3.436 14.501 1.842 1.00 0.00 C ATOM 685 C PRO A 40 2.460 14.282 2.999 1.00 0.00 C ATOM 686 O PRO A 40 1.252 14.440 2.856 1.00 0.00 O ATOM 687 CB PRO A 40 2.859 15.320 0.682 1.00 0.00 C ATOM 688 CG PRO A 40 2.403 14.292 -0.348 1.00 0.00 C ATOM 689 CD PRO A 40 3.165 13.012 -0.017 1.00 0.00 C ATOM 0 HA PRO A 40 4.282 15.047 2.260 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.026 15.940 1.014 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.609 15.991 0.263 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.326 14.132 -0.292 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.623 14.628 -1.361 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.491 12.156 0.000 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.922 12.807 -0.774 1.00 0.00 H new ATOM 697 N GLY A 41 3.011 13.863 4.137 1.00 0.00 N ATOM 698 CA GLY A 41 2.267 13.424 5.298 1.00 0.00 C ATOM 699 C GLY A 41 3.188 12.723 6.297 1.00 0.00 C ATOM 700 O GLY A 41 3.014 12.893 7.501 1.00 0.00 O ATOM 0 H GLY A 41 4.021 13.822 4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.789 14.280 5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.471 12.745 4.991 1.00 0.00 H new ATOM 704 N GLY A 42 4.176 11.943 5.825 1.00 0.00 N ATOM 705 CA GLY A 42 5.125 11.295 6.727 1.00 0.00 C ATOM 706 C GLY A 42 5.571 9.918 6.293 1.00 0.00 C ATOM 707 O GLY A 42 4.917 9.280 5.477 1.00 0.00 O ATOM 0 H GLY A 42 4.332 11.752 4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.004 11.932 6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.672 11.220 7.716 1.00 0.00 H new ATOM 711 N GLU A 43 6.628 9.430 6.939 1.00 0.00 N ATOM 712 CA GLU A 43 6.999 8.037 6.886 1.00 0.00 C ATOM 713 C GLU A 43 6.104 7.289 7.871 1.00 0.00 C ATOM 714 O GLU A 43 5.307 6.454 7.450 1.00 0.00 O ATOM 715 CB GLU A 43 8.509 7.908 7.135 1.00 0.00 C ATOM 716 CG GLU A 43 8.968 6.460 7.354 1.00 0.00 C ATOM 717 CD GLU A 43 8.947 5.991 8.803 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.949 6.867 9.691 1.00 0.00 O ATOM 719 OE2 GLU A 43 8.930 4.753 8.981 1.00 0.00 O ATOM 0 H GLU A 43 7.248 10.001 7.514 1.00 0.00 H new ATOM 0 HA GLU A 43 6.837 7.583 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.047 8.328 6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.778 8.503 8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.332 5.800 6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.982 6.354 6.968 1.00 0.00 H new ATOM 726 N GLU A 44 6.188 7.621 9.162 1.00 0.00 N ATOM 727 CA GLU A 44 5.652 6.773 10.223 1.00 0.00 C ATOM 728 C GLU A 44 4.166 6.496 10.001 1.00 0.00 C ATOM 729 O GLU A 44 3.767 5.349 9.825 1.00 0.00 O ATOM 730 CB GLU A 44 5.928 7.384 11.605 1.00 0.00 C ATOM 731 CG GLU A 44 5.999 6.289 12.678 1.00 0.00 C ATOM 732 CD GLU A 44 6.033 6.884 14.079 1.00 0.00 C ATOM 733 OE1 GLU A 44 7.149 7.209 14.536 1.00 0.00 O ATOM 734 OE2 GLU A 44 4.935 7.035 14.655 1.00 0.00 O ATOM 0 H GLU A 44 6.626 8.479 9.497 1.00 0.00 H new ATOM 0 HA GLU A 44 6.165 5.812 10.190 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.866 7.939 11.582 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.142 8.096 11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.137 5.628 12.583 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.888 5.679 12.519 1.00 0.00 H new ATOM 741 N VAL A 45 3.348 7.552 9.922 1.00 0.00 N ATOM 742 CA VAL A 45 1.914 7.426 9.722 1.00 0.00 C ATOM 743 C VAL A 45 1.569 6.549 8.516 1.00 0.00 C ATOM 744 O VAL A 45 0.526 5.905 8.513 1.00 0.00 O ATOM 745 CB VAL A 45 1.257 8.813 9.622 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.614 9.688 10.829 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.590 9.559 8.323 1.00 0.00 C ATOM 0 H VAL A 45 3.670 8.517 9.996 1.00 0.00 H new ATOM 0 HA VAL A 45 1.506 6.918 10.596 1.00 0.00 H new ATOM 0 HB VAL A 45 0.184 8.623 9.615 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.134 10.661 10.727 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.267 9.206 11.743 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.695 9.820 10.876 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.092 10.529 8.323 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.668 9.704 8.253 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.247 8.975 7.469 1.00 0.00 H new ATOM 757 N LEU A 46 2.434 6.525 7.498 1.00 0.00 N ATOM 758 CA LEU A 46 2.263 5.731 6.295 1.00 0.00 C ATOM 759 C LEU A 46 2.732 4.290 6.550 1.00 0.00 C ATOM 760 O LEU A 46 2.049 3.336 6.175 1.00 0.00 O ATOM 761 CB LEU A 46 2.908 6.505 5.121 1.00 0.00 C ATOM 762 CG LEU A 46 3.813 5.810 4.099 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.231 4.501 3.562 1.00 0.00 C ATOM 764 CD2 LEU A 46 4.094 6.738 2.924 1.00 0.00 C ATOM 0 H LEU A 46 3.293 7.075 7.496 1.00 0.00 H new ATOM 0 HA LEU A 46 1.222 5.595 6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.094 6.965 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.491 7.315 5.559 1.00 0.00 H new ATOM 0 HG LEU A 46 4.733 5.568 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.924 4.063 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.076 3.806 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.278 4.700 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.738 6.231 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.155 7.008 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.590 7.640 3.283 1.00 0.00 H new ATOM 776 N ARG A 47 3.875 4.122 7.219 1.00 0.00 N ATOM 777 CA ARG A 47 4.538 2.845 7.455 1.00 0.00 C ATOM 778 C ARG A 47 4.067 2.141 8.736 1.00 0.00 C ATOM 779 O ARG A 47 4.572 1.065 9.068 1.00 0.00 O ATOM 780 CB ARG A 47 6.050 3.093 7.510 1.00 0.00 C ATOM 781 CG ARG A 47 6.854 1.851 7.104 1.00 0.00 C ATOM 782 CD ARG A 47 7.922 1.491 8.134 1.00 0.00 C ATOM 783 NE ARG A 47 7.333 0.686 9.214 1.00 0.00 N ATOM 784 CZ ARG A 47 8.045 -0.148 9.983 1.00 0.00 C ATOM 785 NH1 ARG A 47 9.383 -0.080 9.963 1.00 0.00 N ATOM 786 NH2 ARG A 47 7.426 -1.051 10.751 1.00 0.00 N ATOM 0 H ARG A 47 4.382 4.907 7.627 1.00 0.00 H new ATOM 0 HA ARG A 47 4.278 2.175 6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.305 3.921 6.849 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.331 3.392 8.520 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.176 1.007 6.977 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.328 2.027 6.138 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.728 0.936 7.654 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.362 2.399 8.546 1.00 0.00 H new ATOM 0 HE ARG A 47 6.331 0.767 9.386 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.850 0.602 9.366 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.934 -0.711 10.545 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.408 -1.107 10.753 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.972 -1.684 11.335 1.00 0.00 H new ATOM 800 N GLU A 48 3.125 2.752 9.456 1.00 0.00 N ATOM 801 CA GLU A 48 2.558 2.257 10.697 1.00 0.00 C ATOM 802 C GLU A 48 1.788 0.961 10.473 1.00 0.00 C ATOM 803 O GLU A 48 1.882 0.030 11.266 1.00 0.00 O ATOM 804 CB GLU A 48 1.642 3.343 11.290 1.00 0.00 C ATOM 805 CG GLU A 48 2.295 4.018 12.498 1.00 0.00 C ATOM 806 CD GLU A 48 2.289 3.097 13.712 1.00 0.00 C ATOM 807 OE1 GLU A 48 1.210 3.003 14.335 1.00 0.00 O ATOM 808 OE2 GLU A 48 3.347 2.485 13.975 1.00 0.00 O ATOM 0 H GLU A 48 2.723 3.645 9.171 1.00 0.00 H new ATOM 0 HA GLU A 48 3.363 2.034 11.397 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.420 4.091 10.529 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.692 2.899 11.588 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.320 4.295 12.253 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.764 4.940 12.735 1.00 0.00 H new ATOM 815 N GLN A 49 1.012 0.916 9.389 1.00 0.00 N ATOM 816 CA GLN A 49 0.270 -0.277 9.031 1.00 0.00 C ATOM 817 C GLN A 49 1.250 -1.200 8.321 1.00 0.00 C ATOM 818 O GLN A 49 1.734 -2.170 8.896 1.00 0.00 O ATOM 819 CB GLN A 49 -0.939 0.105 8.158 1.00 0.00 C ATOM 820 CG GLN A 49 -2.052 0.770 8.987 1.00 0.00 C ATOM 821 CD GLN A 49 -2.880 -0.234 9.792 1.00 0.00 C ATOM 822 OE1 GLN A 49 -2.574 -1.418 9.837 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.955 0.223 10.427 1.00 0.00 N ATOM 0 H GLN A 49 0.886 1.698 8.747 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.139 -0.791 9.901 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.618 0.785 7.369 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.332 -0.787 7.670 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.606 1.494 9.669 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.712 1.325 8.320 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.194 1.213 10.378 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.541 -0.417 10.963 1.00 0.00 H new ATOM 832 N ALA A 50 1.578 -0.850 7.072 1.00 0.00 N ATOM 833 CA ALA A 50 2.381 -1.682 6.192 1.00 0.00 C ATOM 834 C ALA A 50 1.769 -3.081 6.029 1.00 0.00 C ATOM 835 O ALA A 50 0.740 -3.412 6.616 1.00 0.00 O ATOM 836 CB ALA A 50 3.829 -1.712 6.692 1.00 0.00 C ATOM 0 H ALA A 50 1.286 0.030 6.647 1.00 0.00 H new ATOM 0 HA ALA A 50 2.388 -1.248 5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.429 -2.337 6.031 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.232 -0.699 6.700 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.857 -2.121 7.702 1.00 0.00 H new ATOM 842 N GLY A 51 2.366 -3.909 5.177 1.00 0.00 N ATOM 843 CA GLY A 51 1.854 -5.228 4.869 1.00 0.00 C ATOM 844 C GLY A 51 0.623 -5.065 3.996 1.00 0.00 C ATOM 845 O GLY A 51 0.694 -5.184 2.779 1.00 0.00 O ATOM 0 H GLY A 51 3.226 -3.676 4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.611 -5.819 4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.603 -5.762 5.785 1.00 0.00 H new ATOM 849 N GLY A 52 -0.508 -4.750 4.613 1.00 0.00 N ATOM 850 CA GLY A 52 -1.786 -4.665 3.948 1.00 0.00 C ATOM 851 C GLY A 52 -2.743 -3.854 4.804 1.00 0.00 C ATOM 852 O GLY A 52 -2.310 -3.013 5.587 1.00 0.00 O ATOM 0 H GLY A 52 -0.556 -4.543 5.611 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.670 -4.198 2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.188 -5.664 3.779 1.00 0.00 H new ATOM 856 N ASP A 53 -4.039 -4.102 4.609 1.00 0.00 N ATOM 857 CA ASP A 53 -5.142 -3.593 5.410 1.00 0.00 C ATOM 858 C ASP A 53 -5.099 -2.078 5.624 1.00 0.00 C ATOM 859 O ASP A 53 -5.709 -1.561 6.557 1.00 0.00 O ATOM 860 CB ASP A 53 -5.241 -4.362 6.742 1.00 0.00 C ATOM 861 CG ASP A 53 -4.989 -5.860 6.612 1.00 0.00 C ATOM 862 OD1 ASP A 53 -5.646 -6.464 5.735 1.00 0.00 O ATOM 863 OD2 ASP A 53 -4.120 -6.367 7.360 1.00 0.00 O ATOM 0 H ASP A 53 -4.360 -4.697 3.845 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.053 -3.771 4.838 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.523 -3.943 7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.232 -4.206 7.167 1.00 0.00 H new ATOM 868 N ALA A 54 -4.428 -1.336 4.738 1.00 0.00 N ATOM 869 CA ALA A 54 -4.197 0.072 4.957 1.00 0.00 C ATOM 870 C ALA A 54 -5.343 0.885 4.367 1.00 0.00 C ATOM 871 O ALA A 54 -5.427 2.076 4.646 1.00 0.00 O ATOM 872 CB ALA A 54 -2.833 0.436 4.380 1.00 0.00 C ATOM 0 H ALA A 54 -4.040 -1.698 3.867 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.177 0.308 6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.643 1.498 4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.060 -0.149 4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.820 0.220 3.312 1.00 0.00 H new ATOM 878 N THR A 55 -6.236 0.258 3.583 1.00 0.00 N ATOM 879 CA THR A 55 -7.437 0.920 3.093 1.00 0.00 C ATOM 880 C THR A 55 -8.168 1.610 4.246 1.00 0.00 C ATOM 881 O THR A 55 -8.482 2.788 4.130 1.00 0.00 O ATOM 882 CB THR A 55 -8.398 -0.033 2.353 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.741 -0.910 1.456 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.364 0.804 1.511 1.00 0.00 C ATOM 0 H THR A 55 -6.140 -0.711 3.279 1.00 0.00 H new ATOM 0 HA THR A 55 -7.108 1.661 2.365 1.00 0.00 H new ATOM 0 HB THR A 55 -8.895 -0.627 3.120 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.373 -1.590 1.142 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.051 0.144 0.981 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.931 1.470 2.162 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.800 1.395 0.790 1.00 0.00 H new ATOM 892 N GLU A 56 -8.427 0.890 5.348 1.00 0.00 N ATOM 893 CA GLU A 56 -9.190 1.426 6.473 1.00 0.00 C ATOM 894 C GLU A 56 -8.594 2.771 6.918 1.00 0.00 C ATOM 895 O GLU A 56 -9.288 3.778 6.987 1.00 0.00 O ATOM 896 CB GLU A 56 -9.246 0.403 7.632 1.00 0.00 C ATOM 897 CG GLU A 56 -10.657 0.285 8.232 1.00 0.00 C ATOM 898 CD GLU A 56 -10.616 -0.003 9.729 1.00 0.00 C ATOM 899 OE1 GLU A 56 -10.510 0.985 10.485 1.00 0.00 O ATOM 900 OE2 GLU A 56 -10.693 -1.199 10.081 1.00 0.00 O ATOM 0 H GLU A 56 -8.114 -0.072 5.479 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.218 1.606 6.157 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.924 -0.573 7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.545 0.700 8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.205 1.210 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.202 -0.511 7.724 1.00 0.00 H new ATOM 907 N ASN A 57 -7.277 2.790 7.141 1.00 0.00 N ATOM 908 CA ASN A 57 -6.519 3.975 7.545 1.00 0.00 C ATOM 909 C ASN A 57 -6.591 5.065 6.470 1.00 0.00 C ATOM 910 O ASN A 57 -6.940 6.218 6.715 1.00 0.00 O ATOM 911 CB ASN A 57 -5.051 3.571 7.784 1.00 0.00 C ATOM 912 CG ASN A 57 -4.648 3.663 9.249 1.00 0.00 C ATOM 913 OD1 ASN A 57 -5.000 2.803 10.048 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.865 4.672 9.617 1.00 0.00 N ATOM 0 H ASN A 57 -6.694 1.959 7.043 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.951 4.377 8.462 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.897 2.551 7.432 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.400 4.214 7.191 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.544 4.742 10.583 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.585 5.376 8.934 1.00 0.00 H new ATOM 921 N PHE A 58 -6.204 4.694 5.253 1.00 0.00 N ATOM 922 CA PHE A 58 -6.152 5.582 4.106 1.00 0.00 C ATOM 923 C PHE A 58 -7.503 6.274 3.861 1.00 0.00 C ATOM 924 O PHE A 58 -7.513 7.470 3.563 1.00 0.00 O ATOM 925 CB PHE A 58 -5.643 4.769 2.909 1.00 0.00 C ATOM 926 CG PHE A 58 -5.843 5.403 1.555 1.00 0.00 C ATOM 927 CD1 PHE A 58 -7.051 5.176 0.880 1.00 0.00 C ATOM 928 CD2 PHE A 58 -4.840 6.184 0.954 1.00 0.00 C ATOM 929 CE1 PHE A 58 -7.290 5.775 -0.362 1.00 0.00 C ATOM 930 CE2 PHE A 58 -5.076 6.790 -0.291 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.309 6.605 -0.939 1.00 0.00 C ATOM 0 H PHE A 58 -5.911 3.741 5.036 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.459 6.405 4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.578 4.580 3.048 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.142 3.800 2.913 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.801 4.536 1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.889 6.318 1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.224 5.601 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.310 7.398 -0.750 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.505 7.099 -1.879 1.00 0.00 H new ATOM 941 N GLU A 59 -8.618 5.543 4.001 1.00 0.00 N ATOM 942 CA GLU A 59 -9.980 6.046 3.812 1.00 0.00 C ATOM 943 C GLU A 59 -10.520 6.728 5.073 1.00 0.00 C ATOM 944 O GLU A 59 -11.320 7.650 4.951 1.00 0.00 O ATOM 945 CB GLU A 59 -10.942 4.946 3.330 1.00 0.00 C ATOM 946 CG GLU A 59 -10.981 4.795 1.795 1.00 0.00 C ATOM 947 CD GLU A 59 -11.546 6.014 1.046 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.536 6.574 1.557 1.00 0.00 O ATOM 949 OE2 GLU A 59 -11.015 6.373 -0.038 1.00 0.00 O ATOM 0 H GLU A 59 -8.593 4.556 4.257 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.922 6.800 3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.646 3.995 3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.946 5.168 3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.970 4.601 1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.581 3.921 1.544 1.00 0.00 H new ATOM 956 N ASP A 60 -10.074 6.337 6.274 1.00 0.00 N ATOM 957 CA ASP A 60 -10.323 7.129 7.477 1.00 0.00 C ATOM 958 C ASP A 60 -9.891 8.577 7.221 1.00 0.00 C ATOM 959 O ASP A 60 -10.640 9.517 7.480 1.00 0.00 O ATOM 960 CB ASP A 60 -9.598 6.525 8.684 1.00 0.00 C ATOM 961 CG ASP A 60 -9.795 7.380 9.927 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.909 7.320 10.489 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.824 8.077 10.294 1.00 0.00 O ATOM 0 H ASP A 60 -9.542 5.481 6.434 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.388 7.119 7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.971 5.518 8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.534 6.436 8.465 1.00 0.00 H new ATOM 968 N VAL A 61 -8.704 8.747 6.626 1.00 0.00 N ATOM 969 CA VAL A 61 -8.244 10.051 6.151 1.00 0.00 C ATOM 970 C VAL A 61 -8.904 10.450 4.819 1.00 0.00 C ATOM 971 O VAL A 61 -9.041 11.636 4.522 1.00 0.00 O ATOM 972 CB VAL A 61 -6.706 10.089 6.116 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.193 11.459 5.647 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.150 9.817 7.522 1.00 0.00 C ATOM 0 H VAL A 61 -8.042 7.988 6.463 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.566 10.815 6.859 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.370 9.325 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.103 11.454 5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.568 11.664 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.544 12.232 6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.061 9.845 7.494 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.515 10.579 8.211 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.480 8.834 7.860 1.00 0.00 H new ATOM 984 N GLY A 62 -9.288 9.491 3.976 1.00 0.00 N ATOM 985 CA GLY A 62 -10.010 9.739 2.731 1.00 0.00 C ATOM 986 C GLY A 62 -9.027 9.953 1.585 1.00 0.00 C ATOM 987 O GLY A 62 -9.126 9.302 0.543 1.00 0.00 O ATOM 0 H GLY A 62 -9.102 8.502 4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.663 8.896 2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.648 10.616 2.841 1.00 0.00 H new ATOM 991 N HIS A 63 -8.079 10.870 1.809 1.00 0.00 N ATOM 992 CA HIS A 63 -7.081 11.334 0.850 1.00 0.00 C ATOM 993 C HIS A 63 -7.711 12.130 -0.299 1.00 0.00 C ATOM 994 O HIS A 63 -8.911 12.058 -0.559 1.00 0.00 O ATOM 995 CB HIS A 63 -6.205 10.187 0.319 1.00 0.00 C ATOM 996 CG HIS A 63 -5.120 9.740 1.262 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.269 8.967 2.392 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.784 9.969 1.082 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.031 8.760 2.883 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.086 9.336 2.110 1.00 0.00 N ATOM 0 H HIS A 63 -7.986 11.331 2.714 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.426 12.013 1.396 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.845 9.334 0.091 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.747 10.501 -0.619 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.145 8.619 2.781 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.344 10.543 0.280 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.821 8.202 3.784 1.00 0.00 H new ATOM 1008 N SER A 64 -6.876 12.907 -0.997 1.00 0.00 N ATOM 1009 CA SER A 64 -7.280 13.636 -2.192 1.00 0.00 C ATOM 1010 C SER A 64 -7.174 12.734 -3.425 1.00 0.00 C ATOM 1011 O SER A 64 -6.465 11.727 -3.412 1.00 0.00 O ATOM 1012 CB SER A 64 -6.395 14.874 -2.365 1.00 0.00 C ATOM 1013 OG SER A 64 -6.470 15.691 -1.215 1.00 0.00 O ATOM 0 H SER A 64 -5.898 13.045 -0.743 1.00 0.00 H new ATOM 0 HA SER A 64 -8.318 13.951 -2.082 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.362 14.571 -2.538 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.713 15.438 -3.242 1.00 0.00 H new ATOM 0 HG SER A 64 -5.899 16.479 -1.335 1.00 0.00 H new ATOM 1019 N THR A 65 -7.840 13.127 -4.515 1.00 0.00 N ATOM 1020 CA THR A 65 -7.818 12.369 -5.764 1.00 0.00 C ATOM 1021 C THR A 65 -6.388 12.223 -6.295 1.00 0.00 C ATOM 1022 O THR A 65 -6.022 11.165 -6.806 1.00 0.00 O ATOM 1023 CB THR A 65 -8.799 12.965 -6.786 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.015 12.059 -7.846 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.324 14.296 -7.375 1.00 0.00 C ATOM 0 H THR A 65 -8.406 13.975 -4.554 1.00 0.00 H new ATOM 0 HA THR A 65 -8.168 11.355 -5.568 1.00 0.00 H new ATOM 0 HB THR A 65 -9.723 13.151 -6.239 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.643 12.451 -8.488 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.062 14.662 -8.089 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.201 15.025 -6.574 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.370 14.150 -7.882 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.564 13.260 -6.099 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.140 13.247 -6.405 1.00 0.00 C ATOM 1035 C ASP A 66 -3.503 11.937 -5.946 1.00 0.00 C ATOM 1036 O ASP A 66 -2.824 11.262 -6.711 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.449 14.446 -5.734 1.00 0.00 C ATOM 1038 CG ASP A 66 -2.823 15.364 -6.769 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -1.712 15.022 -7.225 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -3.477 16.381 -7.081 1.00 0.00 O ATOM 0 H ASP A 66 -5.883 14.149 -5.714 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.013 13.326 -7.485 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.174 15.003 -5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.681 14.090 -5.047 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.762 11.548 -4.694 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.233 10.318 -4.131 1.00 0.00 C ATOM 1047 C ALA A 67 -3.761 9.085 -4.865 1.00 0.00 C ATOM 1048 O ALA A 67 -3.024 8.114 -5.019 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.567 10.234 -2.643 1.00 0.00 C ATOM 0 H ALA A 67 -4.345 12.082 -4.049 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.150 10.335 -4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.165 9.308 -2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.125 11.084 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.649 10.250 -2.511 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.023 9.096 -5.316 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.559 7.987 -6.098 1.00 0.00 C ATOM 1057 C ARG A 68 -4.725 7.822 -7.373 1.00 0.00 C ATOM 1058 O ARG A 68 -4.327 6.708 -7.707 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.057 8.142 -6.419 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.944 8.232 -5.160 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.107 7.218 -5.173 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.267 7.596 -4.326 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.349 7.542 -2.979 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -9.253 7.394 -2.248 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.516 7.621 -2.336 1.00 0.00 N ATOM 0 H ARG A 68 -5.683 9.856 -5.152 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.486 7.083 -5.493 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.202 9.039 -7.022 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.381 7.295 -7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.330 8.062 -4.276 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.349 9.241 -5.078 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.450 7.091 -6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.731 6.250 -4.841 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.095 7.934 -4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.343 7.320 -2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.320 7.354 -1.231 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.383 7.726 -2.863 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.541 7.577 -1.317 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.414 8.917 -8.070 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.562 8.826 -9.249 1.00 0.00 C ATOM 1081 C GLU A 69 -2.124 8.440 -8.877 1.00 0.00 C ATOM 1082 O GLU A 69 -1.518 7.571 -9.503 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.618 10.124 -10.062 1.00 0.00 C ATOM 1084 CG GLU A 69 -5.015 10.329 -10.674 1.00 0.00 C ATOM 1085 CD GLU A 69 -4.937 10.599 -12.174 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.224 11.555 -12.541 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -5.572 9.824 -12.922 1.00 0.00 O ATOM 0 H GLU A 69 -4.734 9.858 -7.842 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.946 8.026 -9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.370 10.970 -9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.870 10.094 -10.855 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.625 9.444 -10.494 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.511 11.164 -10.179 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.564 9.059 -7.837 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.196 8.802 -7.417 1.00 0.00 C ATOM 1096 C LEU A 70 -0.026 7.332 -7.020 1.00 0.00 C ATOM 1097 O LEU A 70 1.002 6.726 -7.310 1.00 0.00 O ATOM 1098 CB LEU A 70 0.199 9.758 -6.280 1.00 0.00 C ATOM 1099 CG LEU A 70 1.691 10.111 -6.351 1.00 0.00 C ATOM 1100 CD1 LEU A 70 1.943 11.143 -7.464 1.00 0.00 C ATOM 1101 CD2 LEU A 70 2.172 10.680 -5.012 1.00 0.00 C ATOM 0 H LEU A 70 -2.050 9.751 -7.266 1.00 0.00 H new ATOM 0 HA LEU A 70 0.478 8.991 -8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.397 10.668 -6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.024 9.296 -5.318 1.00 0.00 H new ATOM 0 HG LEU A 70 2.246 9.199 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.005 11.384 -7.503 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.630 10.729 -8.422 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.373 12.049 -7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.232 10.925 -5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.606 11.581 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.021 9.940 -4.227 1.00 0.00 H new ATOM 1113 N SER A 71 -1.046 6.735 -6.395 1.00 0.00 N ATOM 1114 CA SER A 71 -1.026 5.321 -6.057 1.00 0.00 C ATOM 1115 C SER A 71 -0.731 4.483 -7.303 1.00 0.00 C ATOM 1116 O SER A 71 0.099 3.585 -7.260 1.00 0.00 O ATOM 1117 CB SER A 71 -2.324 4.895 -5.356 1.00 0.00 C ATOM 1118 OG SER A 71 -3.378 4.624 -6.259 1.00 0.00 O ATOM 0 H SER A 71 -1.899 7.219 -6.114 1.00 0.00 H new ATOM 0 HA SER A 71 -0.221 5.143 -5.344 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.131 4.006 -4.755 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.635 5.683 -4.670 1.00 0.00 H new ATOM 0 HG SER A 71 -3.559 5.421 -6.799 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.367 4.802 -8.433 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.145 4.102 -9.692 1.00 0.00 C ATOM 1126 C LYS A 72 0.343 4.108 -10.068 1.00 0.00 C ATOM 1127 O LYS A 72 0.888 3.078 -10.448 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.040 4.705 -10.786 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.171 3.760 -11.218 1.00 0.00 C ATOM 1130 CD LYS A 72 -2.682 2.729 -12.247 1.00 0.00 C ATOM 1131 CE LYS A 72 -3.835 1.820 -12.713 1.00 0.00 C ATOM 1132 NZ LYS A 72 -4.146 1.988 -14.150 1.00 0.00 N ATOM 0 H LYS A 72 -2.051 5.556 -8.496 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.426 3.055 -9.581 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.471 5.638 -10.423 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.428 4.953 -11.654 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.568 3.243 -10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.989 4.341 -11.644 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.251 3.244 -13.106 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.890 2.121 -11.809 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.573 0.780 -12.521 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.726 2.038 -12.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.928 1.355 -14.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.423 2.974 -14.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.306 1.754 -14.717 1.00 0.00 H new ATOM 1146 N THR A 73 1.028 5.240 -9.905 1.00 0.00 N ATOM 1147 CA THR A 73 2.476 5.323 -10.093 1.00 0.00 C ATOM 1148 C THR A 73 3.265 4.351 -9.190 1.00 0.00 C ATOM 1149 O THR A 73 4.394 3.996 -9.519 1.00 0.00 O ATOM 1150 CB THR A 73 2.905 6.799 -9.957 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.718 7.442 -11.202 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.345 7.011 -9.496 1.00 0.00 C ATOM 0 H THR A 73 0.595 6.124 -9.639 1.00 0.00 H new ATOM 0 HA THR A 73 2.728 4.984 -11.098 1.00 0.00 H new ATOM 0 HB THR A 73 2.279 7.225 -9.173 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.986 8.382 -11.128 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.553 8.079 -9.431 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.485 6.554 -8.517 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.027 6.552 -10.211 1.00 0.00 H new ATOM 1160 N TYR A 74 2.686 3.893 -8.076 1.00 0.00 N ATOM 1161 CA TYR A 74 3.296 2.948 -7.145 1.00 0.00 C ATOM 1162 C TYR A 74 2.712 1.542 -7.288 1.00 0.00 C ATOM 1163 O TYR A 74 3.011 0.664 -6.476 1.00 0.00 O ATOM 1164 CB TYR A 74 3.079 3.448 -5.713 1.00 0.00 C ATOM 1165 CG TYR A 74 3.886 4.678 -5.356 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.291 4.627 -5.397 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.239 5.881 -5.021 1.00 0.00 C ATOM 1168 CE1 TYR A 74 6.043 5.801 -5.228 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.995 7.048 -4.818 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.389 7.019 -4.975 1.00 0.00 C ATOM 1171 OH TYR A 74 6.104 8.177 -4.909 1.00 0.00 O ATOM 0 H TYR A 74 1.750 4.181 -7.791 1.00 0.00 H new ATOM 0 HA TYR A 74 4.360 2.887 -7.375 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.021 3.669 -5.574 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.332 2.647 -5.018 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.792 3.684 -5.559 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.164 5.908 -4.920 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.121 5.768 -5.292 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.502 7.968 -4.541 1.00 0.00 H new ATOM 0 HH TYR A 74 5.841 8.679 -4.109 1.00 0.00 H new ATOM 1181 N ILE A 75 1.853 1.324 -8.284 1.00 0.00 N ATOM 1182 CA ILE A 75 1.199 0.044 -8.495 1.00 0.00 C ATOM 1183 C ILE A 75 2.270 -1.002 -8.789 1.00 0.00 C ATOM 1184 O ILE A 75 2.972 -0.913 -9.793 1.00 0.00 O ATOM 1185 CB ILE A 75 0.110 0.181 -9.580 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.059 -0.794 -9.384 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.616 0.099 -11.030 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -0.632 -2.251 -9.244 1.00 0.00 C ATOM 0 H ILE A 75 1.594 2.036 -8.966 1.00 0.00 H new ATOM 0 HA ILE A 75 0.669 -0.293 -7.604 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.248 1.200 -9.433 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.617 -0.502 -8.494 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.739 -0.705 -10.231 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.225 0.206 -11.715 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.335 0.898 -11.210 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.097 -0.865 -11.194 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.514 -2.877 -9.109 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.100 -2.562 -10.143 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.024 -2.357 -8.380 1.00 0.00 H new ATOM 1200 N ILE A 76 2.419 -1.979 -7.893 1.00 0.00 N ATOM 1201 CA ILE A 76 3.350 -3.076 -8.101 1.00 0.00 C ATOM 1202 C ILE A 76 2.613 -4.365 -8.419 1.00 0.00 C ATOM 1203 O ILE A 76 3.226 -5.256 -9.000 1.00 0.00 O ATOM 1204 CB ILE A 76 4.281 -3.251 -6.900 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.488 -3.456 -5.599 1.00 0.00 C ATOM 1206 CG2 ILE A 76 5.215 -2.037 -6.804 1.00 0.00 C ATOM 1207 CD1 ILE A 76 4.344 -4.072 -4.497 1.00 0.00 C ATOM 0 H ILE A 76 1.902 -2.028 -7.015 1.00 0.00 H new ATOM 0 HA ILE A 76 3.970 -2.826 -8.962 1.00 0.00 H new ATOM 0 HB ILE A 76 4.881 -4.149 -7.044 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.095 -2.498 -5.259 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.631 -4.100 -5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.881 -2.157 -5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.806 -1.960 -7.716 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.622 -1.131 -6.678 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.742 -4.199 -3.597 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.715 -5.043 -4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.187 -3.415 -4.281 1.00 0.00 H new ATOM 1219 N GLY A 77 1.345 -4.486 -8.012 1.00 0.00 N ATOM 1220 CA GLY A 77 0.579 -5.705 -8.164 1.00 0.00 C ATOM 1221 C GLY A 77 -0.830 -5.531 -7.611 1.00 0.00 C ATOM 1222 O GLY A 77 -1.241 -4.423 -7.262 1.00 0.00 O ATOM 0 H GLY A 77 0.827 -3.729 -7.566 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.530 -5.980 -9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.080 -6.522 -7.645 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.577 -6.624 -7.492 1.00 0.00 N ATOM 1227 CA GLU A 78 -2.939 -6.615 -6.984 1.00 0.00 C ATOM 1228 C GLU A 78 -3.170 -7.813 -6.076 1.00 0.00 C ATOM 1229 O GLU A 78 -2.350 -8.721 -6.003 1.00 0.00 O ATOM 1230 CB GLU A 78 -3.960 -6.500 -8.128 1.00 0.00 C ATOM 1231 CG GLU A 78 -3.498 -7.098 -9.464 1.00 0.00 C ATOM 1232 CD GLU A 78 -4.565 -6.986 -10.544 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -5.178 -5.894 -10.602 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -4.756 -7.969 -11.288 1.00 0.00 O ATOM 0 H GLU A 78 -1.246 -7.553 -7.750 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.089 -5.726 -6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.883 -6.994 -7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.198 -5.447 -8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.594 -6.588 -9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.238 -8.147 -9.320 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.260 -7.775 -5.316 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.527 -8.763 -4.289 1.00 0.00 C ATOM 1243 C LEU A 79 -5.088 -10.026 -4.950 1.00 0.00 C ATOM 1244 O LEU A 79 -5.979 -9.914 -5.791 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.470 -8.120 -3.266 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.318 -8.740 -1.873 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -5.877 -7.763 -0.835 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -5.997 -10.113 -1.801 1.00 0.00 C ATOM 0 H LEU A 79 -4.980 -7.057 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.628 -9.075 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.269 -7.050 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.501 -8.233 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.263 -8.911 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.775 -8.193 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.324 -6.825 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.930 -7.575 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.873 -10.528 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.059 -10.005 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.542 -10.783 -2.531 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.528 -11.201 -4.628 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.790 -12.466 -5.315 1.00 0.00 C ATOM 1262 C HIS A 80 -6.276 -12.698 -5.642 1.00 0.00 C ATOM 1263 O HIS A 80 -7.139 -12.441 -4.797 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.229 -13.609 -4.463 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.873 -14.852 -5.231 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.476 -16.085 -5.130 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.816 -14.977 -6.095 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.813 -16.924 -5.945 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.800 -16.293 -6.557 1.00 0.00 N ATOM 0 H HIS A 80 -3.863 -11.296 -3.861 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.290 -12.428 -6.283 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.340 -13.253 -3.943 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.963 -13.868 -3.700 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.121 -14.197 -6.369 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.062 -17.965 -6.088 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.146 -16.696 -7.228 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.600 -13.204 -6.848 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.972 -13.270 -7.303 1.00 0.00 C ATOM 1279 C PRO A 81 -8.782 -14.271 -6.479 1.00 0.00 C ATOM 1280 O PRO A 81 -9.996 -14.130 -6.384 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.929 -13.617 -8.791 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.589 -14.321 -8.971 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.710 -13.768 -7.850 1.00 0.00 C ATOM 0 HA PRO A 81 -8.481 -12.316 -7.166 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.760 -14.263 -9.074 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.996 -12.723 -9.411 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.696 -15.403 -8.894 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.160 -14.112 -9.951 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.095 -14.557 -7.418 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.030 -13.007 -8.233 1.00 0.00 H new