USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=17 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= 1.03 K(o=2.1,f=-0.15) USER MOD Set 1.2: A 57 ASN : amide:sc= 1.09 K(o=2.1,f=-0.15) USER MOD Set 2.1: A 39 HIS : no HE2:sc= -0.192 K(o=-0.32,f=-5.9!) USER MOD Set 2.2: A 63 HIS : no HE2:sc= -0.131 K(o=-0.32,f=-2.1) USER MOD Set 3.1: A 5 LYS NZ :NH3+ -114:sc= 1.18 (180deg=0) USER MOD Set 3.2: A 7 TYR OH : rot 30:sc= 1.03 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 13 GLN : amide:sc= -0.034 K(o=-0.034,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0195 X(o=-0.019,f=-0.33) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -30:sc= 0.175 USER MOD Single : A 21 THR OG1 : rot 90:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0.157 K(o=0.16,f=-0.87) USER MOD Single : A 27 HIS : no HD1:sc= -0.306 X(o=-0.31,f=0.00089) USER MOD Single : A 28 LYS NZ :NH3+ -103:sc= 0.0742 (180deg=-0.158) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0379 USER MOD Single : A 33 THR OG1 : rot 74:sc= 0.552 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 32:sc= 1.01 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0996 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 66:sc= 1.02 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 -42:sc= 1.12 USER MOD Single : A 80 HIS : no HD1:sc= -0.885 X(o=-0.88,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.925 -8.692 -11.657 1.00 0.00 N ATOM 66 CA LYS A 5 1.556 -8.689 -10.351 1.00 0.00 C ATOM 67 C LYS A 5 0.526 -9.067 -9.272 1.00 0.00 C ATOM 68 O LYS A 5 0.327 -8.358 -8.290 1.00 0.00 O ATOM 69 CB LYS A 5 2.254 -7.340 -10.194 1.00 0.00 C ATOM 70 CG LYS A 5 3.616 -7.245 -10.903 1.00 0.00 C ATOM 71 CD LYS A 5 4.719 -7.443 -9.860 1.00 0.00 C ATOM 72 CE LYS A 5 6.122 -7.065 -10.339 1.00 0.00 C ATOM 73 NZ LYS A 5 7.089 -7.211 -9.230 1.00 0.00 N ATOM 0 HA LYS A 5 2.329 -9.449 -10.236 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.600 -6.559 -10.582 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.396 -7.139 -9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.691 -8.003 -11.683 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.724 -6.275 -11.389 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.478 -6.850 -8.978 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.724 -8.488 -9.549 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.414 -7.702 -11.174 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.127 -6.038 -10.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.463 -6.276 -8.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.613 -7.634 -8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.872 -7.826 -9.531 1.00 0.00 H new ATOM 87 N TYR A 6 -0.156 -10.202 -9.440 1.00 0.00 N ATOM 88 CA TYR A 6 -1.062 -10.681 -8.411 1.00 0.00 C ATOM 89 C TYR A 6 -0.241 -11.171 -7.221 1.00 0.00 C ATOM 90 O TYR A 6 0.592 -12.059 -7.380 1.00 0.00 O ATOM 91 CB TYR A 6 -2.003 -11.769 -8.944 1.00 0.00 C ATOM 92 CG TYR A 6 -3.213 -11.240 -9.688 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.133 -10.411 -9.018 1.00 0.00 C ATOM 94 CD2 TYR A 6 -3.473 -11.636 -11.013 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.292 -9.961 -9.672 1.00 0.00 C ATOM 96 CE2 TYR A 6 -4.603 -11.136 -11.688 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.512 -10.299 -11.015 1.00 0.00 C ATOM 98 OH TYR A 6 -6.624 -9.836 -11.653 1.00 0.00 O ATOM 0 H TYR A 6 -0.096 -10.794 -10.268 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.704 -9.861 -8.088 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.441 -12.425 -9.609 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.344 -12.379 -8.108 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.946 -10.119 -7.995 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.806 -12.323 -11.512 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.012 -9.356 -9.141 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.772 -11.395 -12.723 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.628 -10.159 -12.578 1.00 0.00 H new ATOM 108 N TYR A 7 -0.470 -10.591 -6.040 1.00 0.00 N ATOM 109 CA TYR A 7 0.187 -10.980 -4.805 1.00 0.00 C ATOM 110 C TYR A 7 -0.866 -11.478 -3.815 1.00 0.00 C ATOM 111 O TYR A 7 -1.987 -10.964 -3.776 1.00 0.00 O ATOM 112 CB TYR A 7 0.995 -9.793 -4.266 1.00 0.00 C ATOM 113 CG TYR A 7 2.216 -9.449 -5.100 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.294 -10.350 -5.136 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.315 -8.219 -5.779 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.452 -10.043 -5.869 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.489 -7.898 -6.487 1.00 0.00 C ATOM 118 CZ TYR A 7 4.551 -8.818 -6.549 1.00 0.00 C ATOM 119 OH TYR A 7 5.733 -8.489 -7.161 1.00 0.00 O ATOM 0 H TYR A 7 -1.131 -9.824 -5.921 1.00 0.00 H new ATOM 0 HA TYR A 7 0.888 -11.797 -4.974 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.346 -8.919 -4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.314 -10.016 -3.248 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.232 -11.284 -4.597 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.490 -7.522 -5.757 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.268 -10.750 -5.910 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.574 -6.943 -6.984 1.00 0.00 H new ATOM 0 HH TYR A 7 6.190 -9.306 -7.450 1.00 0.00 H new ATOM 129 N THR A 8 -0.520 -12.513 -3.046 1.00 0.00 N ATOM 130 CA THR A 8 -1.399 -13.119 -2.064 1.00 0.00 C ATOM 131 C THR A 8 -1.254 -12.402 -0.725 1.00 0.00 C ATOM 132 O THR A 8 -0.252 -11.734 -0.460 1.00 0.00 O ATOM 133 CB THR A 8 -1.022 -14.600 -1.903 1.00 0.00 C ATOM 134 OG1 THR A 8 0.362 -14.687 -1.623 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.329 -15.405 -3.167 1.00 0.00 C ATOM 0 H THR A 8 0.398 -12.956 -3.095 1.00 0.00 H new ATOM 0 HA THR A 8 -2.433 -13.036 -2.398 1.00 0.00 H new ATOM 0 HB THR A 8 -1.613 -15.018 -1.088 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.616 -15.628 -1.516 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.048 -16.447 -3.012 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.395 -15.345 -3.386 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.763 -14.997 -4.005 1.00 0.00 H new ATOM 143 N LEU A 9 -2.259 -12.573 0.137 1.00 0.00 N ATOM 144 CA LEU A 9 -2.316 -11.941 1.440 1.00 0.00 C ATOM 145 C LEU A 9 -1.056 -12.305 2.224 1.00 0.00 C ATOM 146 O LEU A 9 -0.327 -11.412 2.637 1.00 0.00 O ATOM 147 CB LEU A 9 -3.607 -12.357 2.163 1.00 0.00 C ATOM 148 CG LEU A 9 -4.896 -11.696 1.629 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.004 -10.212 2.005 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.100 -11.844 0.117 1.00 0.00 C ATOM 0 H LEU A 9 -3.065 -13.166 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.344 -10.856 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.714 -13.439 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.506 -12.118 3.222 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.690 -12.252 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.930 -9.801 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.004 -10.111 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.155 -9.669 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.028 -11.352 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.264 -11.384 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.154 -12.902 -0.141 1.00 0.00 H new ATOM 162 N GLU A 10 -0.764 -13.603 2.372 1.00 0.00 N ATOM 163 CA GLU A 10 0.432 -14.094 3.052 1.00 0.00 C ATOM 164 C GLU A 10 1.700 -13.374 2.582 1.00 0.00 C ATOM 165 O GLU A 10 2.484 -12.890 3.400 1.00 0.00 O ATOM 166 CB GLU A 10 0.576 -15.616 2.843 1.00 0.00 C ATOM 167 CG GLU A 10 0.605 -16.368 4.178 1.00 0.00 C ATOM 168 CD GLU A 10 -0.697 -16.201 4.943 1.00 0.00 C ATOM 169 OE1 GLU A 10 -1.726 -16.670 4.412 1.00 0.00 O ATOM 170 OE2 GLU A 10 -0.622 -15.593 6.032 1.00 0.00 O ATOM 0 H GLU A 10 -1.362 -14.349 2.017 1.00 0.00 H new ATOM 0 HA GLU A 10 0.312 -13.883 4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.253 -15.981 2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.491 -15.823 2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.787 -17.427 3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.433 -16.002 4.784 1.00 0.00 H new ATOM 177 N GLU A 11 1.916 -13.335 1.266 1.00 0.00 N ATOM 178 CA GLU A 11 3.119 -12.749 0.701 1.00 0.00 C ATOM 179 C GLU A 11 3.182 -11.271 1.088 1.00 0.00 C ATOM 180 O GLU A 11 4.155 -10.819 1.694 1.00 0.00 O ATOM 181 CB GLU A 11 3.149 -13.003 -0.812 1.00 0.00 C ATOM 182 CG GLU A 11 4.525 -12.707 -1.425 1.00 0.00 C ATOM 183 CD GLU A 11 4.814 -13.631 -2.601 1.00 0.00 C ATOM 184 OE1 GLU A 11 5.090 -14.818 -2.323 1.00 0.00 O ATOM 185 OE2 GLU A 11 4.740 -13.141 -3.748 1.00 0.00 O ATOM 0 H GLU A 11 1.266 -13.706 0.573 1.00 0.00 H new ATOM 0 HA GLU A 11 4.018 -13.215 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.881 -14.041 -1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.396 -12.382 -1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.563 -11.669 -1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.298 -12.827 -0.666 1.00 0.00 H new ATOM 192 N ILE A 12 2.104 -10.532 0.819 1.00 0.00 N ATOM 193 CA ILE A 12 2.025 -9.119 1.168 1.00 0.00 C ATOM 194 C ILE A 12 2.266 -8.923 2.674 1.00 0.00 C ATOM 195 O ILE A 12 2.944 -7.985 3.080 1.00 0.00 O ATOM 196 CB ILE A 12 0.694 -8.513 0.705 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.539 -8.660 -0.819 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.665 -7.026 1.082 1.00 0.00 C ATOM 199 CD1 ILE A 12 -0.917 -8.510 -1.266 1.00 0.00 C ATOM 0 H ILE A 12 1.270 -10.895 0.357 1.00 0.00 H new ATOM 0 HA ILE A 12 2.814 -8.582 0.642 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.128 -9.039 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.151 -7.909 -1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.914 -9.635 -1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.278 -6.586 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.760 -6.923 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.493 -6.511 0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.979 -8.621 -2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.525 -9.277 -0.787 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.285 -7.525 -0.981 1.00 0.00 H new ATOM 211 N GLN A 13 1.743 -9.827 3.505 1.00 0.00 N ATOM 212 CA GLN A 13 1.918 -9.799 4.947 1.00 0.00 C ATOM 213 C GLN A 13 3.396 -9.944 5.317 1.00 0.00 C ATOM 214 O GLN A 13 3.861 -9.353 6.290 1.00 0.00 O ATOM 215 CB GLN A 13 1.069 -10.904 5.599 1.00 0.00 C ATOM 216 CG GLN A 13 0.623 -10.525 7.016 1.00 0.00 C ATOM 217 CD GLN A 13 -0.513 -9.499 7.034 1.00 0.00 C ATOM 218 OE1 GLN A 13 -1.129 -9.206 6.015 1.00 0.00 O ATOM 219 NE2 GLN A 13 -0.825 -8.965 8.212 1.00 0.00 N ATOM 0 H GLN A 13 1.176 -10.611 3.182 1.00 0.00 H new ATOM 0 HA GLN A 13 1.578 -8.835 5.326 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.191 -11.098 4.982 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.644 -11.829 5.635 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.301 -11.424 7.542 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.476 -10.124 7.564 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.298 -9.225 9.045 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.592 -8.296 8.282 1.00 0.00 H new ATOM 228 N LYS A 14 4.132 -10.764 4.561 1.00 0.00 N ATOM 229 CA LYS A 14 5.563 -10.944 4.753 1.00 0.00 C ATOM 230 C LYS A 14 6.307 -9.680 4.297 1.00 0.00 C ATOM 231 O LYS A 14 7.263 -9.255 4.947 1.00 0.00 O ATOM 232 CB LYS A 14 6.046 -12.215 4.022 1.00 0.00 C ATOM 233 CG LYS A 14 6.614 -13.294 4.962 1.00 0.00 C ATOM 234 CD LYS A 14 5.583 -14.307 5.494 1.00 0.00 C ATOM 235 CE LYS A 14 4.428 -13.671 6.283 1.00 0.00 C ATOM 236 NZ LYS A 14 3.569 -14.682 6.940 1.00 0.00 N ATOM 0 H LYS A 14 3.746 -11.320 3.798 1.00 0.00 H new ATOM 0 HA LYS A 14 5.781 -11.089 5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.214 -12.638 3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.812 -11.938 3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.396 -13.839 4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.087 -12.801 5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.171 -14.865 4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.093 -15.026 6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.835 -12.998 7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.822 -13.065 5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.805 -14.204 7.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.158 -15.309 6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.140 -15.244 7.604 1.00 0.00 H new ATOM 250 N HIS A 15 5.865 -9.069 3.192 1.00 0.00 N ATOM 251 CA HIS A 15 6.400 -7.808 2.687 1.00 0.00 C ATOM 252 C HIS A 15 6.133 -6.646 3.657 1.00 0.00 C ATOM 253 O HIS A 15 5.231 -5.835 3.453 1.00 0.00 O ATOM 254 CB HIS A 15 5.829 -7.518 1.292 1.00 0.00 C ATOM 255 CG HIS A 15 6.604 -8.148 0.165 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.665 -7.566 -0.490 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.357 -9.353 -0.438 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.058 -8.412 -1.455 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.292 -9.514 -1.465 1.00 0.00 N ATOM 0 H HIS A 15 5.112 -9.447 2.617 1.00 0.00 H new ATOM 0 HA HIS A 15 7.483 -7.904 2.606 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.799 -7.872 1.252 1.00 0.00 H new ATOM 0 HB3 HIS A 15 5.801 -6.439 1.140 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.580 -10.053 -0.169 1.00 0.00 H new ATOM 0 HE1 HIS A 15 8.880 -8.230 -2.132 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.375 -10.311 -2.096 1.00 0.00 H new ATOM 267 N LYS A 16 6.961 -6.548 4.701 1.00 0.00 N ATOM 268 CA LYS A 16 6.957 -5.447 5.654 1.00 0.00 C ATOM 269 C LYS A 16 8.396 -5.020 5.951 1.00 0.00 C ATOM 270 O LYS A 16 8.849 -3.983 5.463 1.00 0.00 O ATOM 271 CB LYS A 16 6.151 -5.868 6.894 1.00 0.00 C ATOM 272 CG LYS A 16 6.277 -4.883 8.067 1.00 0.00 C ATOM 273 CD LYS A 16 4.975 -4.805 8.885 1.00 0.00 C ATOM 274 CE LYS A 16 5.219 -4.786 10.398 1.00 0.00 C ATOM 275 NZ LYS A 16 5.335 -6.155 10.941 1.00 0.00 N ATOM 0 H LYS A 16 7.669 -7.253 4.907 1.00 0.00 H new ATOM 0 HA LYS A 16 6.464 -4.564 5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.100 -5.963 6.620 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.486 -6.853 7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.097 -5.192 8.716 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.528 -3.893 7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.426 -3.907 8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.344 -5.658 8.635 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.130 -4.228 10.614 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.401 -4.264 10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.500 -6.109 11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.456 -6.678 10.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.132 -6.643 10.484 1.00 0.00 H new ATOM 334 N SER A 20 10.734 -2.794 3.203 1.00 0.00 N ATOM 335 CA SER A 20 9.791 -3.242 2.181 1.00 0.00 C ATOM 336 C SER A 20 8.337 -2.928 2.563 1.00 0.00 C ATOM 337 O SER A 20 7.532 -3.837 2.768 1.00 0.00 O ATOM 338 CB SER A 20 9.992 -4.737 1.906 1.00 0.00 C ATOM 339 OG SER A 20 9.742 -5.485 3.076 1.00 0.00 O ATOM 0 HA SER A 20 9.994 -2.689 1.264 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.323 -5.061 1.109 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.010 -4.917 1.561 1.00 0.00 H new ATOM 0 HG SER A 20 9.959 -4.943 3.863 1.00 0.00 H new ATOM 345 N THR A 21 8.003 -1.645 2.675 1.00 0.00 N ATOM 346 CA THR A 21 6.751 -1.145 3.172 1.00 0.00 C ATOM 347 C THR A 21 5.729 -1.220 2.045 1.00 0.00 C ATOM 348 O THR A 21 5.571 -0.287 1.255 1.00 0.00 O ATOM 349 CB THR A 21 6.984 0.285 3.664 1.00 0.00 C ATOM 350 OG1 THR A 21 8.004 0.274 4.650 1.00 0.00 O ATOM 351 CG2 THR A 21 5.697 0.874 4.240 1.00 0.00 C ATOM 0 H THR A 21 8.641 -0.897 2.404 1.00 0.00 H new ATOM 0 HA THR A 21 6.366 -1.732 4.006 1.00 0.00 H new ATOM 0 HB THR A 21 7.292 0.908 2.824 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.876 0.392 4.220 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.884 1.891 4.584 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.926 0.888 3.469 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.361 0.264 5.078 1.00 0.00 H new ATOM 359 N TRP A 22 5.044 -2.356 1.979 1.00 0.00 N ATOM 360 CA TRP A 22 3.902 -2.545 1.110 1.00 0.00 C ATOM 361 C TRP A 22 2.628 -2.255 1.882 1.00 0.00 C ATOM 362 O TRP A 22 2.621 -2.310 3.109 1.00 0.00 O ATOM 363 CB TRP A 22 3.892 -3.977 0.607 1.00 0.00 C ATOM 364 CG TRP A 22 4.936 -4.309 -0.408 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.084 -3.641 -0.668 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.873 -5.381 -1.380 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.711 -4.216 -1.750 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.016 -5.304 -2.222 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.927 -6.382 -1.656 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.218 -6.192 -3.285 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.140 -7.312 -2.688 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.294 -7.229 -3.487 1.00 0.00 C ATOM 0 H TRP A 22 5.274 -3.178 2.537 1.00 0.00 H new ATOM 0 HA TRP A 22 3.964 -1.865 0.260 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.014 -4.644 1.460 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.912 -4.186 0.177 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.451 -2.790 -0.113 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.585 -3.876 -2.152 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.023 -6.438 -1.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.070 -6.081 -3.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.415 -8.092 -2.868 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.470 -7.965 -4.258 1.00 0.00 H new ATOM 383 N VAL A 23 1.545 -1.978 1.162 1.00 0.00 N ATOM 384 CA VAL A 23 0.217 -1.828 1.732 1.00 0.00 C ATOM 385 C VAL A 23 -0.807 -2.207 0.664 1.00 0.00 C ATOM 386 O VAL A 23 -0.593 -1.948 -0.526 1.00 0.00 O ATOM 387 CB VAL A 23 -0.021 -0.393 2.244 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.499 -0.155 3.669 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.600 0.660 1.327 1.00 0.00 C ATOM 0 H VAL A 23 1.570 -1.850 0.150 1.00 0.00 H new ATOM 0 HA VAL A 23 0.116 -2.486 2.595 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.106 -0.289 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.297 0.875 3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.004 -0.834 4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.573 -0.337 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.405 1.654 1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.676 0.498 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.162 0.580 0.332 1.00 0.00 H new ATOM 399 N ILE A 24 -1.912 -2.830 1.087 1.00 0.00 N ATOM 400 CA ILE A 24 -3.035 -3.131 0.213 1.00 0.00 C ATOM 401 C ILE A 24 -4.106 -2.055 0.412 1.00 0.00 C ATOM 402 O ILE A 24 -4.748 -1.987 1.464 1.00 0.00 O ATOM 403 CB ILE A 24 -3.511 -4.582 0.392 1.00 0.00 C ATOM 404 CG1 ILE A 24 -4.093 -4.916 1.761 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.338 -5.533 0.188 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.579 -5.267 1.676 1.00 0.00 C ATOM 0 H ILE A 24 -2.046 -3.138 2.050 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.742 -3.089 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.305 -4.696 -0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.546 -5.753 2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.958 -4.067 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.677 -6.561 0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.936 -5.405 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.561 -5.314 0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.956 -5.499 2.672 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.130 -4.420 1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.712 -6.133 1.028 1.00 0.00 H new ATOM 418 N LEU A 25 -4.239 -1.161 -0.572 1.00 0.00 N ATOM 419 CA LEU A 25 -5.200 -0.070 -0.526 1.00 0.00 C ATOM 420 C LEU A 25 -6.252 -0.353 -1.592 1.00 0.00 C ATOM 421 O LEU A 25 -5.985 -0.222 -2.787 1.00 0.00 O ATOM 422 CB LEU A 25 -4.540 1.301 -0.699 1.00 0.00 C ATOM 423 CG LEU A 25 -3.264 1.500 0.131 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.783 2.929 -0.074 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.470 1.326 1.632 1.00 0.00 C ATOM 0 H LEU A 25 -3.678 -1.179 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.668 -0.023 0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.300 1.445 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.259 2.074 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.556 0.743 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.876 3.094 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.572 3.094 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.556 3.624 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.524 1.482 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.201 2.053 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.833 0.318 1.835 1.00 0.00 H new ATOM 437 N HIS A 26 -7.444 -0.769 -1.168 1.00 0.00 N ATOM 438 CA HIS A 26 -8.498 -1.231 -2.057 1.00 0.00 C ATOM 439 C HIS A 26 -8.045 -2.496 -2.801 1.00 0.00 C ATOM 440 O HIS A 26 -7.062 -3.141 -2.443 1.00 0.00 O ATOM 441 CB HIS A 26 -8.920 -0.125 -3.044 1.00 0.00 C ATOM 442 CG HIS A 26 -9.033 1.258 -2.455 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.160 1.792 -1.876 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.103 2.260 -2.557 1.00 0.00 C ATOM 445 CE1 HIS A 26 -9.912 3.090 -1.642 1.00 0.00 C ATOM 446 NE2 HIS A 26 -8.681 3.428 -2.058 1.00 0.00 N ATOM 0 H HIS A 26 -7.704 -0.793 -0.182 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.372 -1.479 -1.455 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.199 -0.096 -3.861 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.882 -0.397 -3.478 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.103 2.163 -2.952 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.610 3.772 -1.180 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.254 4.353 -2.017 1.00 0.00 H new ATOM 454 N HIS A 27 -8.759 -2.832 -3.879 1.00 0.00 N ATOM 455 CA HIS A 27 -8.441 -3.949 -4.755 1.00 0.00 C ATOM 456 C HIS A 27 -7.223 -3.583 -5.608 1.00 0.00 C ATOM 457 O HIS A 27 -7.389 -3.298 -6.793 1.00 0.00 O ATOM 458 CB HIS A 27 -9.660 -4.256 -5.644 1.00 0.00 C ATOM 459 CG HIS A 27 -10.944 -4.520 -4.896 1.00 0.00 C ATOM 460 ND1 HIS A 27 -11.575 -5.738 -4.774 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.781 -3.572 -4.370 1.00 0.00 C ATOM 462 CE1 HIS A 27 -12.762 -5.519 -4.181 1.00 0.00 C ATOM 463 NE2 HIS A 27 -12.928 -4.217 -3.910 1.00 0.00 N ATOM 0 H HIS A 27 -9.592 -2.319 -4.168 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.204 -4.837 -4.169 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.818 -3.417 -6.321 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.431 -5.125 -6.261 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.586 -2.511 -4.320 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.484 -6.289 -3.954 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.733 -3.784 -3.457 1.00 0.00 H new ATOM 471 N LYS A 28 -6.037 -3.480 -4.994 1.00 0.00 N ATOM 472 CA LYS A 28 -4.757 -3.186 -5.637 1.00 0.00 C ATOM 473 C LYS A 28 -3.659 -3.020 -4.581 1.00 0.00 C ATOM 474 O LYS A 28 -3.924 -2.520 -3.486 1.00 0.00 O ATOM 475 CB LYS A 28 -4.815 -2.013 -6.632 1.00 0.00 C ATOM 476 CG LYS A 28 -5.648 -0.813 -6.158 1.00 0.00 C ATOM 477 CD LYS A 28 -6.198 -0.018 -7.352 1.00 0.00 C ATOM 478 CE LYS A 28 -7.492 0.698 -6.952 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.618 -0.258 -6.868 1.00 0.00 N ATOM 0 H LYS A 28 -5.943 -3.606 -3.986 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.504 -4.046 -6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.799 -1.675 -6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.226 -2.374 -7.575 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.474 -1.161 -5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.034 -0.163 -5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.459 0.709 -7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.388 -0.689 -8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.357 1.193 -5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.723 1.475 -7.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.217 -0.164 -7.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.247 -1.228 -6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.183 -0.055 -6.019 1.00 0.00 H new ATOM 493 N VAL A 29 -2.443 -3.481 -4.895 1.00 0.00 N ATOM 494 CA VAL A 29 -1.313 -3.479 -3.974 1.00 0.00 C ATOM 495 C VAL A 29 -0.352 -2.362 -4.372 1.00 0.00 C ATOM 496 O VAL A 29 -0.097 -2.147 -5.562 1.00 0.00 O ATOM 497 CB VAL A 29 -0.607 -4.849 -3.947 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.438 -4.880 -2.819 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.607 -5.986 -3.722 1.00 0.00 C ATOM 0 H VAL A 29 -2.218 -3.870 -5.811 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.674 -3.296 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.123 -4.990 -4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.932 -5.852 -2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.179 -4.098 -2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.055 -4.712 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.078 -6.939 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.116 -5.840 -2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.341 -5.990 -4.528 1.00 0.00 H new ATOM 509 N TYR A 30 0.175 -1.658 -3.368 1.00 0.00 N ATOM 510 CA TYR A 30 1.096 -0.554 -3.554 1.00 0.00 C ATOM 511 C TYR A 30 2.374 -0.831 -2.760 1.00 0.00 C ATOM 512 O TYR A 30 2.298 -1.158 -1.572 1.00 0.00 O ATOM 513 CB TYR A 30 0.400 0.735 -3.110 1.00 0.00 C ATOM 514 CG TYR A 30 -0.822 1.073 -3.943 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.650 1.592 -5.235 1.00 0.00 C ATOM 516 CD2 TYR A 30 -2.121 0.819 -3.468 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.767 1.842 -6.049 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.233 1.212 -4.234 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.055 1.730 -5.522 1.00 0.00 C ATOM 520 OH TYR A 30 -4.114 2.233 -6.219 1.00 0.00 O ATOM 0 H TYR A 30 -0.035 -1.849 -2.388 1.00 0.00 H new ATOM 0 HA TYR A 30 1.380 -0.442 -4.600 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.104 0.639 -2.065 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.109 1.561 -3.166 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.343 1.800 -5.604 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.264 0.324 -2.519 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.629 2.121 -7.083 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.228 1.114 -3.827 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.941 2.074 -5.718 1.00 0.00 H new ATOM 530 N ASP A 31 3.531 -0.711 -3.423 1.00 0.00 N ATOM 531 CA ASP A 31 4.841 -0.728 -2.783 1.00 0.00 C ATOM 532 C ASP A 31 5.219 0.722 -2.542 1.00 0.00 C ATOM 533 O ASP A 31 5.203 1.519 -3.479 1.00 0.00 O ATOM 534 CB ASP A 31 5.895 -1.406 -3.672 1.00 0.00 C ATOM 535 CG ASP A 31 7.267 -1.488 -3.015 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.581 -0.607 -2.189 1.00 0.00 O ATOM 537 OD2 ASP A 31 7.980 -2.479 -3.283 1.00 0.00 O ATOM 0 H ASP A 31 3.578 -0.598 -4.436 1.00 0.00 H new ATOM 0 HA ASP A 31 4.801 -1.297 -1.854 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.558 -2.412 -3.922 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.980 -0.856 -4.609 1.00 0.00 H new ATOM 542 N LEU A 32 5.523 1.072 -1.293 1.00 0.00 N ATOM 543 CA LEU A 32 5.864 2.428 -0.918 1.00 0.00 C ATOM 544 C LEU A 32 7.233 2.453 -0.219 1.00 0.00 C ATOM 545 O LEU A 32 7.570 3.411 0.478 1.00 0.00 O ATOM 546 CB LEU A 32 4.693 2.968 -0.086 1.00 0.00 C ATOM 547 CG LEU A 32 3.334 2.835 -0.824 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.212 3.155 0.138 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.178 3.731 -2.067 1.00 0.00 C ATOM 0 H LEU A 32 5.537 0.413 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 32 5.990 3.089 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.644 2.429 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.873 4.016 0.153 1.00 0.00 H new ATOM 0 HG LEU A 32 3.296 1.806 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.255 3.063 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.242 2.459 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.329 4.174 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.197 3.567 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.274 4.777 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.953 3.484 -2.793 1.00 0.00 H new ATOM 561 N THR A 33 8.065 1.439 -0.482 1.00 0.00 N ATOM 562 CA THR A 33 9.415 1.259 0.046 1.00 0.00 C ATOM 563 C THR A 33 10.318 2.460 -0.225 1.00 0.00 C ATOM 564 O THR A 33 11.148 2.807 0.612 1.00 0.00 O ATOM 565 CB THR A 33 9.985 -0.033 -0.558 1.00 0.00 C ATOM 566 OG1 THR A 33 9.143 -1.098 -0.181 1.00 0.00 O ATOM 567 CG2 THR A 33 11.427 -0.344 -0.147 1.00 0.00 C ATOM 0 H THR A 33 7.794 0.679 -1.106 1.00 0.00 H new ATOM 0 HA THR A 33 9.370 1.179 1.132 1.00 0.00 H new ATOM 0 HB THR A 33 10.016 0.104 -1.639 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.311 -1.056 -0.697 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.748 -1.273 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.079 0.469 -0.465 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.482 -0.450 0.936 1.00 0.00 H new ATOM 575 N LYS A 34 10.169 3.093 -1.391 1.00 0.00 N ATOM 576 CA LYS A 34 10.889 4.310 -1.733 1.00 0.00 C ATOM 577 C LYS A 34 9.976 5.539 -1.702 1.00 0.00 C ATOM 578 O LYS A 34 10.355 6.580 -2.227 1.00 0.00 O ATOM 579 CB LYS A 34 11.554 4.137 -3.104 1.00 0.00 C ATOM 580 CG LYS A 34 12.782 3.212 -3.041 1.00 0.00 C ATOM 581 CD LYS A 34 13.893 3.714 -3.991 1.00 0.00 C ATOM 582 CE LYS A 34 15.179 4.114 -3.248 1.00 0.00 C ATOM 583 NZ LYS A 34 16.050 2.952 -2.987 1.00 0.00 N ATOM 0 H LYS A 34 9.540 2.769 -2.126 1.00 0.00 H new ATOM 0 HA LYS A 34 11.661 4.482 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.829 3.729 -3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.855 5.113 -3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.161 3.171 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.494 2.197 -3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.125 2.933 -4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.523 4.571 -4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.724 4.851 -3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.919 4.591 -2.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.905 3.265 -2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.539 2.260 -2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.320 2.511 -3.889 1.00 0.00 H new ATOM 597 N PHE A 35 8.800 5.441 -1.074 1.00 0.00 N ATOM 598 CA PHE A 35 7.861 6.552 -0.978 1.00 0.00 C ATOM 599 C PHE A 35 7.714 7.031 0.469 1.00 0.00 C ATOM 600 O PHE A 35 7.088 8.054 0.714 1.00 0.00 O ATOM 601 CB PHE A 35 6.523 6.149 -1.608 1.00 0.00 C ATOM 602 CG PHE A 35 5.444 7.214 -1.586 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.672 8.466 -2.180 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.219 6.972 -0.941 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.662 9.440 -2.200 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.189 7.921 -1.003 1.00 0.00 C ATOM 607 CZ PHE A 35 3.409 9.160 -1.629 1.00 0.00 C ATOM 0 H PHE A 35 8.477 4.587 -0.619 1.00 0.00 H new ATOM 0 HA PHE A 35 8.249 7.403 -1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.702 5.859 -2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.148 5.266 -1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.632 8.681 -2.625 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.071 6.052 -0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.847 10.403 -2.653 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.225 7.700 -0.569 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.618 9.894 -1.671 1.00 0.00 H new ATOM 617 N LEU A 36 8.312 6.320 1.431 1.00 0.00 N ATOM 618 CA LEU A 36 8.218 6.616 2.852 1.00 0.00 C ATOM 619 C LEU A 36 8.421 8.108 3.147 1.00 0.00 C ATOM 620 O LEU A 36 7.500 8.778 3.607 1.00 0.00 O ATOM 621 CB LEU A 36 9.235 5.742 3.603 1.00 0.00 C ATOM 622 CG LEU A 36 8.873 4.254 3.716 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.843 3.553 4.679 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.445 4.028 4.219 1.00 0.00 C ATOM 0 H LEU A 36 8.888 5.503 1.230 1.00 0.00 H new ATOM 0 HA LEU A 36 7.212 6.381 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.200 5.826 3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.361 6.144 4.608 1.00 0.00 H new ATOM 0 HG LEU A 36 8.948 3.838 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.581 2.498 4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.862 3.648 4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.776 4.015 5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.245 2.958 4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.332 4.474 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.739 4.491 3.530 1.00 0.00 H new ATOM 636 N GLU A 37 9.619 8.637 2.882 1.00 0.00 N ATOM 637 CA GLU A 37 9.905 10.047 3.114 1.00 0.00 C ATOM 638 C GLU A 37 9.197 10.948 2.094 1.00 0.00 C ATOM 639 O GLU A 37 8.735 12.025 2.460 1.00 0.00 O ATOM 640 CB GLU A 37 11.422 10.287 3.139 1.00 0.00 C ATOM 641 CG GLU A 37 11.933 10.424 4.579 1.00 0.00 C ATOM 642 CD GLU A 37 13.447 10.595 4.613 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.916 11.584 4.011 1.00 0.00 O ATOM 644 OE2 GLU A 37 14.104 9.722 5.218 1.00 0.00 O ATOM 0 H GLU A 37 10.404 8.105 2.506 1.00 0.00 H new ATOM 0 HA GLU A 37 9.506 10.318 4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.933 9.460 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.660 11.190 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.457 11.280 5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.651 9.541 5.153 1.00 0.00 H new ATOM 651 N GLU A 38 9.119 10.532 0.821 1.00 0.00 N ATOM 652 CA GLU A 38 8.455 11.323 -0.210 1.00 0.00 C ATOM 653 C GLU A 38 7.018 11.673 0.189 1.00 0.00 C ATOM 654 O GLU A 38 6.567 12.783 -0.087 1.00 0.00 O ATOM 655 CB GLU A 38 8.412 10.561 -1.541 1.00 0.00 C ATOM 656 CG GLU A 38 9.639 10.701 -2.448 1.00 0.00 C ATOM 657 CD GLU A 38 9.318 10.299 -3.893 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.407 9.456 -4.092 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.983 10.865 -4.786 1.00 0.00 O ATOM 0 H GLU A 38 9.510 9.651 0.487 1.00 0.00 H new ATOM 0 HA GLU A 38 9.033 12.240 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.267 9.503 -1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.536 10.895 -2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.993 11.732 -2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.448 10.078 -2.067 1.00 0.00 H new ATOM 666 N HIS A 39 6.289 10.711 0.764 1.00 0.00 N ATOM 667 CA HIS A 39 4.876 10.831 1.093 1.00 0.00 C ATOM 668 C HIS A 39 4.594 12.164 1.790 1.00 0.00 C ATOM 669 O HIS A 39 5.013 12.335 2.938 1.00 0.00 O ATOM 670 CB HIS A 39 4.438 9.642 1.956 1.00 0.00 C ATOM 671 CG HIS A 39 3.016 9.719 2.464 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.657 9.724 3.787 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.857 9.677 1.733 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.321 9.667 3.854 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.778 9.625 2.625 1.00 0.00 N ATOM 0 H HIS A 39 6.682 9.805 1.018 1.00 0.00 H new ATOM 0 HA HIS A 39 4.294 10.816 0.172 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.553 8.727 1.375 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.111 9.563 2.810 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.296 9.764 4.581 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.788 9.683 0.655 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.755 9.656 4.774 1.00 0.00 H new ATOM 683 N PRO A 40 3.889 13.103 1.127 1.00 0.00 N ATOM 684 CA PRO A 40 3.605 14.417 1.677 1.00 0.00 C ATOM 685 C PRO A 40 2.594 14.262 2.812 1.00 0.00 C ATOM 686 O PRO A 40 1.396 14.467 2.640 1.00 0.00 O ATOM 687 CB PRO A 40 3.101 15.269 0.507 1.00 0.00 C ATOM 688 CG PRO A 40 2.562 14.253 -0.496 1.00 0.00 C ATOM 689 CD PRO A 40 3.340 12.971 -0.215 1.00 0.00 C ATOM 0 HA PRO A 40 4.474 14.909 2.113 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.324 15.963 0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.904 15.866 0.075 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.490 14.101 -0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.715 14.591 -1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.689 12.100 -0.283 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.136 12.832 -0.947 1.00 0.00 H new ATOM 697 N GLY A 41 3.103 13.844 3.968 1.00 0.00 N ATOM 698 CA GLY A 41 2.317 13.401 5.100 1.00 0.00 C ATOM 699 C GLY A 41 3.202 12.648 6.091 1.00 0.00 C ATOM 700 O GLY A 41 3.034 12.816 7.295 1.00 0.00 O ATOM 0 H GLY A 41 4.107 13.806 4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.856 14.258 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.507 12.755 4.760 1.00 0.00 H new ATOM 704 N GLY A 42 4.160 11.845 5.602 1.00 0.00 N ATOM 705 CA GLY A 42 5.146 11.218 6.473 1.00 0.00 C ATOM 706 C GLY A 42 5.442 9.762 6.183 1.00 0.00 C ATOM 707 O GLY A 42 4.660 9.067 5.541 1.00 0.00 O ATOM 0 H GLY A 42 4.266 11.620 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.077 11.781 6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.800 11.302 7.503 1.00 0.00 H new ATOM 711 N GLU A 43 6.540 9.291 6.773 1.00 0.00 N ATOM 712 CA GLU A 43 6.933 7.900 6.737 1.00 0.00 C ATOM 713 C GLU A 43 6.149 7.103 7.795 1.00 0.00 C ATOM 714 O GLU A 43 5.686 5.999 7.524 1.00 0.00 O ATOM 715 CB GLU A 43 8.463 7.841 6.925 1.00 0.00 C ATOM 716 CG GLU A 43 9.043 6.456 7.227 1.00 0.00 C ATOM 717 CD GLU A 43 9.107 6.146 8.714 1.00 0.00 C ATOM 718 OE1 GLU A 43 10.125 6.498 9.349 1.00 0.00 O ATOM 719 OE2 GLU A 43 8.218 5.415 9.186 1.00 0.00 O ATOM 0 H GLU A 43 7.186 9.882 7.296 1.00 0.00 H new ATOM 0 HA GLU A 43 6.692 7.435 5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.937 8.223 6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.737 8.514 7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.437 5.699 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.046 6.389 6.805 1.00 0.00 H new ATOM 726 N GLU A 44 5.973 7.666 8.997 1.00 0.00 N ATOM 727 CA GLU A 44 5.464 6.929 10.146 1.00 0.00 C ATOM 728 C GLU A 44 4.081 6.341 9.861 1.00 0.00 C ATOM 729 O GLU A 44 3.916 5.126 9.897 1.00 0.00 O ATOM 730 CB GLU A 44 5.499 7.796 11.411 1.00 0.00 C ATOM 731 CG GLU A 44 5.474 6.912 12.668 1.00 0.00 C ATOM 732 CD GLU A 44 5.367 7.728 13.951 1.00 0.00 C ATOM 733 OE1 GLU A 44 5.781 8.907 13.915 1.00 0.00 O ATOM 734 OE2 GLU A 44 4.878 7.155 14.947 1.00 0.00 O ATOM 0 H GLU A 44 6.181 8.645 9.194 1.00 0.00 H new ATOM 0 HA GLU A 44 6.122 6.080 10.332 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.397 8.414 11.411 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.646 8.474 11.419 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.631 6.223 12.608 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.379 6.306 12.701 1.00 0.00 H new ATOM 741 N VAL A 45 3.091 7.171 9.507 1.00 0.00 N ATOM 742 CA VAL A 45 1.768 6.708 9.164 1.00 0.00 C ATOM 743 C VAL A 45 1.794 5.700 8.001 1.00 0.00 C ATOM 744 O VAL A 45 0.888 4.888 7.867 1.00 0.00 O ATOM 745 CB VAL A 45 0.891 7.946 8.918 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.255 8.706 7.633 1.00 0.00 C ATOM 747 CG2 VAL A 45 -0.560 7.562 8.911 1.00 0.00 C ATOM 0 H VAL A 45 3.200 8.184 9.455 1.00 0.00 H new ATOM 0 HA VAL A 45 1.329 6.138 9.983 1.00 0.00 H new ATOM 0 HB VAL A 45 1.084 8.632 9.743 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.597 9.568 7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.290 9.044 7.691 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.137 8.046 6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.170 8.448 8.736 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.740 6.835 8.119 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.825 7.124 9.873 1.00 0.00 H new ATOM 757 N LEU A 46 2.849 5.708 7.181 1.00 0.00 N ATOM 758 CA LEU A 46 3.083 4.665 6.197 1.00 0.00 C ATOM 759 C LEU A 46 3.552 3.363 6.855 1.00 0.00 C ATOM 760 O LEU A 46 2.954 2.312 6.617 1.00 0.00 O ATOM 761 CB LEU A 46 4.075 5.160 5.126 1.00 0.00 C ATOM 762 CG LEU A 46 3.411 5.499 3.795 1.00 0.00 C ATOM 763 CD1 LEU A 46 2.925 4.219 3.131 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.263 6.495 3.966 1.00 0.00 C ATOM 0 H LEU A 46 3.560 6.440 7.186 1.00 0.00 H new ATOM 0 HA LEU A 46 2.138 4.438 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.592 6.043 5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.832 4.394 4.961 1.00 0.00 H new ATOM 0 HG LEU A 46 4.151 5.980 3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.450 4.460 2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.772 3.556 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.204 3.723 3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.819 6.708 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.507 6.069 4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.644 7.419 4.401 1.00 0.00 H new ATOM 776 N ARG A 47 4.615 3.401 7.665 1.00 0.00 N ATOM 777 CA ARG A 47 5.108 2.188 8.322 1.00 0.00 C ATOM 778 C ARG A 47 4.203 1.697 9.463 1.00 0.00 C ATOM 779 O ARG A 47 4.402 0.580 9.933 1.00 0.00 O ATOM 780 CB ARG A 47 6.582 2.314 8.760 1.00 0.00 C ATOM 781 CG ARG A 47 7.567 1.850 7.672 1.00 0.00 C ATOM 782 CD ARG A 47 8.917 1.329 8.205 1.00 0.00 C ATOM 783 NE ARG A 47 9.933 2.377 8.391 1.00 0.00 N ATOM 784 CZ ARG A 47 10.061 3.201 9.444 1.00 0.00 C ATOM 785 NH1 ARG A 47 9.193 3.150 10.455 1.00 0.00 N ATOM 786 NH2 ARG A 47 11.061 4.087 9.466 1.00 0.00 N ATOM 0 H ARG A 47 5.144 4.247 7.879 1.00 0.00 H new ATOM 0 HA ARG A 47 5.068 1.410 7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.793 3.352 9.016 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.740 1.724 9.663 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.095 1.062 7.086 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.756 2.682 6.994 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.750 0.826 9.158 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.304 0.581 7.513 1.00 0.00 H new ATOM 0 HE ARG A 47 10.613 2.490 7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.423 2.481 10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.299 3.780 11.250 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.719 4.133 8.688 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.167 4.717 10.261 1.00 0.00 H new ATOM 800 N GLU A 48 3.224 2.500 9.886 1.00 0.00 N ATOM 801 CA GLU A 48 2.307 2.230 10.984 1.00 0.00 C ATOM 802 C GLU A 48 1.784 0.796 10.957 1.00 0.00 C ATOM 803 O GLU A 48 1.962 0.043 11.913 1.00 0.00 O ATOM 804 CB GLU A 48 1.158 3.252 10.940 1.00 0.00 C ATOM 805 CG GLU A 48 1.161 4.214 12.134 1.00 0.00 C ATOM 806 CD GLU A 48 0.735 3.512 13.417 1.00 0.00 C ATOM 807 OE1 GLU A 48 -0.494 3.392 13.611 1.00 0.00 O ATOM 808 OE2 GLU A 48 1.639 3.095 14.169 1.00 0.00 O ATOM 0 H GLU A 48 3.044 3.402 9.445 1.00 0.00 H new ATOM 0 HA GLU A 48 2.847 2.335 11.925 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.227 3.828 10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.207 2.720 10.913 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.159 4.634 12.262 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.488 5.047 11.933 1.00 0.00 H new ATOM 815 N GLN A 49 1.150 0.412 9.846 1.00 0.00 N ATOM 816 CA GLN A 49 0.718 -0.954 9.653 1.00 0.00 C ATOM 817 C GLN A 49 1.826 -1.674 8.895 1.00 0.00 C ATOM 818 O GLN A 49 2.541 -2.497 9.464 1.00 0.00 O ATOM 819 CB GLN A 49 -0.626 -0.992 8.906 1.00 0.00 C ATOM 820 CG GLN A 49 -1.799 -0.480 9.746 1.00 0.00 C ATOM 821 CD GLN A 49 -2.119 1.005 9.571 1.00 0.00 C ATOM 822 OE1 GLN A 49 -1.397 1.742 8.904 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.219 1.452 10.171 1.00 0.00 N ATOM 0 H GLN A 49 0.929 1.037 9.071 1.00 0.00 H new ATOM 0 HA GLN A 49 0.547 -1.456 10.605 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.547 -0.391 8.000 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.831 -2.016 8.593 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.687 -1.060 9.494 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.583 -0.668 10.798 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.797 0.814 10.718 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.484 2.433 10.084 1.00 0.00 H new ATOM 832 N ALA A 50 1.955 -1.319 7.612 1.00 0.00 N ATOM 833 CA ALA A 50 2.783 -1.980 6.608 1.00 0.00 C ATOM 834 C ALA A 50 2.496 -3.486 6.464 1.00 0.00 C ATOM 835 O ALA A 50 2.121 -4.170 7.412 1.00 0.00 O ATOM 836 CB ALA A 50 4.259 -1.668 6.861 1.00 0.00 C ATOM 0 H ALA A 50 1.454 -0.517 7.229 1.00 0.00 H new ATOM 0 HA ALA A 50 2.513 -1.569 5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.870 -2.165 6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.418 -0.591 6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.542 -2.025 7.851 1.00 0.00 H new ATOM 842 N GLY A 51 2.660 -4.011 5.247 1.00 0.00 N ATOM 843 CA GLY A 51 2.355 -5.392 4.895 1.00 0.00 C ATOM 844 C GLY A 51 0.977 -5.797 5.410 1.00 0.00 C ATOM 845 O GLY A 51 0.861 -6.711 6.223 1.00 0.00 O ATOM 0 H GLY A 51 3.019 -3.469 4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.392 -5.511 3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.113 -6.054 5.315 1.00 0.00 H new ATOM 849 N GLY A 52 -0.069 -5.092 4.969 1.00 0.00 N ATOM 850 CA GLY A 52 -1.407 -5.323 5.463 1.00 0.00 C ATOM 851 C GLY A 52 -2.386 -4.316 4.870 1.00 0.00 C ATOM 852 O GLY A 52 -2.063 -3.555 3.949 1.00 0.00 O ATOM 0 H GLY A 52 -0.002 -4.355 4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.723 -6.335 5.211 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.416 -5.248 6.550 1.00 0.00 H new ATOM 856 N ASP A 53 -3.586 -4.350 5.435 1.00 0.00 N ATOM 857 CA ASP A 53 -4.783 -3.590 5.133 1.00 0.00 C ATOM 858 C ASP A 53 -4.701 -2.192 5.718 1.00 0.00 C ATOM 859 O ASP A 53 -5.312 -1.875 6.730 1.00 0.00 O ATOM 860 CB ASP A 53 -6.038 -4.370 5.584 1.00 0.00 C ATOM 861 CG ASP A 53 -5.991 -5.016 6.973 1.00 0.00 C ATOM 862 OD1 ASP A 53 -4.870 -5.238 7.491 1.00 0.00 O ATOM 863 OD2 ASP A 53 -7.085 -5.401 7.434 1.00 0.00 O ATOM 0 H ASP A 53 -3.759 -4.991 6.210 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.865 -3.458 4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.889 -3.689 5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.232 -5.154 4.852 1.00 0.00 H new ATOM 868 N ALA A 54 -4.001 -1.312 4.999 1.00 0.00 N ATOM 869 CA ALA A 54 -4.000 0.108 5.314 1.00 0.00 C ATOM 870 C ALA A 54 -5.141 0.841 4.594 1.00 0.00 C ATOM 871 O ALA A 54 -5.233 2.064 4.693 1.00 0.00 O ATOM 872 CB ALA A 54 -2.631 0.683 4.961 1.00 0.00 C ATOM 0 H ALA A 54 -3.428 -1.564 4.194 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.178 0.250 6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.613 1.748 5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.862 0.173 5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.439 0.538 3.898 1.00 0.00 H new ATOM 878 N THR A 55 -6.011 0.120 3.869 1.00 0.00 N ATOM 879 CA THR A 55 -7.158 0.724 3.199 1.00 0.00 C ATOM 880 C THR A 55 -7.978 1.548 4.195 1.00 0.00 C ATOM 881 O THR A 55 -8.213 2.729 3.951 1.00 0.00 O ATOM 882 CB THR A 55 -8.056 -0.324 2.517 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.348 -1.160 1.622 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.133 0.392 1.690 1.00 0.00 C ATOM 0 H THR A 55 -5.935 -0.888 3.736 1.00 0.00 H new ATOM 0 HA THR A 55 -6.768 1.376 2.418 1.00 0.00 H new ATOM 0 HB THR A 55 -8.476 -0.935 3.317 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.430 -1.281 1.944 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.771 -0.347 1.205 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.737 1.019 2.345 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.656 1.013 0.931 1.00 0.00 H new ATOM 892 N GLU A 56 -8.399 0.924 5.305 1.00 0.00 N ATOM 893 CA GLU A 56 -9.146 1.579 6.370 1.00 0.00 C ATOM 894 C GLU A 56 -8.483 2.908 6.722 1.00 0.00 C ATOM 895 O GLU A 56 -9.088 3.965 6.584 1.00 0.00 O ATOM 896 CB GLU A 56 -9.229 0.650 7.592 1.00 0.00 C ATOM 897 CG GLU A 56 -10.417 -0.320 7.481 1.00 0.00 C ATOM 898 CD GLU A 56 -11.760 0.345 7.776 1.00 0.00 C ATOM 899 OE1 GLU A 56 -11.805 1.173 8.712 1.00 0.00 O ATOM 900 OE2 GLU A 56 -12.724 0.019 7.048 1.00 0.00 O ATOM 0 H GLU A 56 -8.223 -0.065 5.483 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.162 1.788 6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.302 0.083 7.684 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.329 1.247 8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.440 -0.744 6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.268 -1.149 8.173 1.00 0.00 H new ATOM 907 N ASN A 57 -7.211 2.864 7.117 1.00 0.00 N ATOM 908 CA ASN A 57 -6.500 4.055 7.563 1.00 0.00 C ATOM 909 C ASN A 57 -6.402 5.112 6.455 1.00 0.00 C ATOM 910 O ASN A 57 -6.488 6.311 6.726 1.00 0.00 O ATOM 911 CB ASN A 57 -5.109 3.670 8.068 1.00 0.00 C ATOM 912 CG ASN A 57 -4.572 4.644 9.115 1.00 0.00 C ATOM 913 OD1 ASN A 57 -3.890 4.219 10.042 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.850 5.943 9.007 1.00 0.00 N ATOM 0 H ASN A 57 -6.652 2.011 7.136 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.068 4.500 8.380 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.146 2.668 8.495 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.419 3.632 7.225 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.494 6.600 9.701 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.419 6.280 8.230 1.00 0.00 H new ATOM 921 N PHE A 58 -6.180 4.677 5.215 1.00 0.00 N ATOM 922 CA PHE A 58 -6.110 5.556 4.055 1.00 0.00 C ATOM 923 C PHE A 58 -7.457 6.257 3.816 1.00 0.00 C ATOM 924 O PHE A 58 -7.472 7.463 3.560 1.00 0.00 O ATOM 925 CB PHE A 58 -5.625 4.749 2.840 1.00 0.00 C ATOM 926 CG PHE A 58 -5.816 5.414 1.490 1.00 0.00 C ATOM 927 CD1 PHE A 58 -7.053 5.289 0.837 1.00 0.00 C ATOM 928 CD2 PHE A 58 -4.778 6.141 0.875 1.00 0.00 C ATOM 929 CE1 PHE A 58 -7.290 5.962 -0.370 1.00 0.00 C ATOM 930 CE2 PHE A 58 -5.003 6.787 -0.356 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.269 6.718 -0.965 1.00 0.00 C ATOM 0 H PHE A 58 -6.042 3.692 4.988 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.388 6.353 4.233 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.565 4.532 2.971 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.147 3.792 2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.827 4.670 1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.809 6.203 1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.259 5.898 -0.842 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.204 7.335 -0.832 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.455 7.246 -1.889 1.00 0.00 H new ATOM 941 N GLU A 59 -8.570 5.513 3.897 1.00 0.00 N ATOM 942 CA GLU A 59 -9.920 6.025 3.665 1.00 0.00 C ATOM 943 C GLU A 59 -10.439 6.821 4.866 1.00 0.00 C ATOM 944 O GLU A 59 -11.245 7.730 4.688 1.00 0.00 O ATOM 945 CB GLU A 59 -10.902 4.893 3.312 1.00 0.00 C ATOM 946 CG GLU A 59 -10.883 4.487 1.827 1.00 0.00 C ATOM 947 CD GLU A 59 -11.312 5.614 0.887 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.382 6.206 1.136 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.583 5.859 -0.101 1.00 0.00 O ATOM 0 H GLU A 59 -8.552 4.520 4.130 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.856 6.701 2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.667 4.019 3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.911 5.205 3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.878 4.162 1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.543 3.632 1.683 1.00 0.00 H new ATOM 956 N ASP A 60 -9.971 6.512 6.078 1.00 0.00 N ATOM 957 CA ASP A 60 -10.268 7.288 7.275 1.00 0.00 C ATOM 958 C ASP A 60 -9.916 8.756 7.022 1.00 0.00 C ATOM 959 O ASP A 60 -10.721 9.658 7.238 1.00 0.00 O ATOM 960 CB ASP A 60 -9.483 6.716 8.461 1.00 0.00 C ATOM 961 CG ASP A 60 -9.897 7.393 9.759 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.897 6.930 10.348 1.00 0.00 O ATOM 963 OD2 ASP A 60 -9.206 8.364 10.136 1.00 0.00 O ATOM 0 H ASP A 60 -9.370 5.707 6.253 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.330 7.228 7.514 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.656 5.642 8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.414 6.856 8.297 1.00 0.00 H new ATOM 968 N VAL A 61 -8.715 8.971 6.475 1.00 0.00 N ATOM 969 CA VAL A 61 -8.274 10.273 5.990 1.00 0.00 C ATOM 970 C VAL A 61 -8.923 10.600 4.636 1.00 0.00 C ATOM 971 O VAL A 61 -9.150 11.767 4.319 1.00 0.00 O ATOM 972 CB VAL A 61 -6.738 10.303 5.942 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.215 11.649 5.418 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.159 10.061 7.343 1.00 0.00 C ATOM 0 H VAL A 61 -8.018 8.235 6.358 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.599 11.055 6.676 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.420 9.513 5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.125 11.633 5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.594 11.819 4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.554 12.451 6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.070 10.085 7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.510 10.839 8.021 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.485 9.087 7.708 1.00 0.00 H new ATOM 984 N GLY A 62 -9.193 9.599 3.795 1.00 0.00 N ATOM 985 CA GLY A 62 -9.954 9.763 2.560 1.00 0.00 C ATOM 986 C GLY A 62 -9.039 10.105 1.389 1.00 0.00 C ATOM 987 O GLY A 62 -9.182 9.537 0.306 1.00 0.00 O ATOM 0 H GLY A 62 -8.884 8.641 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.500 8.845 2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.695 10.552 2.688 1.00 0.00 H new ATOM 991 N HIS A 63 -8.107 11.034 1.633 1.00 0.00 N ATOM 992 CA HIS A 63 -7.129 11.542 0.679 1.00 0.00 C ATOM 993 C HIS A 63 -7.777 12.345 -0.457 1.00 0.00 C ATOM 994 O HIS A 63 -8.982 12.280 -0.700 1.00 0.00 O ATOM 995 CB HIS A 63 -6.233 10.423 0.123 1.00 0.00 C ATOM 996 CG HIS A 63 -5.161 9.941 1.064 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.309 9.061 2.112 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.827 10.218 0.934 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.075 8.831 2.601 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.129 9.504 1.909 1.00 0.00 N ATOM 0 H HIS A 63 -8.015 11.471 2.550 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.493 12.231 1.236 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.862 9.576 -0.151 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.759 10.778 -0.792 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.183 8.661 2.452 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.388 10.878 0.200 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.867 8.187 3.443 1.00 0.00 H new ATOM 1008 N SER A 64 -6.955 13.129 -1.156 1.00 0.00 N ATOM 1009 CA SER A 64 -7.343 13.893 -2.326 1.00 0.00 C ATOM 1010 C SER A 64 -7.360 13.001 -3.568 1.00 0.00 C ATOM 1011 O SER A 64 -6.846 11.883 -3.568 1.00 0.00 O ATOM 1012 CB SER A 64 -6.331 15.033 -2.480 1.00 0.00 C ATOM 1013 OG SER A 64 -5.031 14.546 -2.186 1.00 0.00 O ATOM 0 H SER A 64 -5.972 13.248 -0.910 1.00 0.00 H new ATOM 0 HA SER A 64 -8.350 14.295 -2.210 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.363 15.429 -3.495 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.585 15.854 -1.809 1.00 0.00 H new ATOM 0 HG SER A 64 -4.380 15.272 -2.285 1.00 0.00 H new ATOM 1019 N THR A 65 -7.944 13.507 -4.655 1.00 0.00 N ATOM 1020 CA THR A 65 -7.975 12.804 -5.927 1.00 0.00 C ATOM 1021 C THR A 65 -6.558 12.526 -6.433 1.00 0.00 C ATOM 1022 O THR A 65 -6.253 11.394 -6.805 1.00 0.00 O ATOM 1023 CB THR A 65 -8.815 13.605 -6.925 1.00 0.00 C ATOM 1024 OG1 THR A 65 -10.067 13.878 -6.329 1.00 0.00 O ATOM 1025 CG2 THR A 65 -9.027 12.829 -8.229 1.00 0.00 C ATOM 0 H THR A 65 -8.407 14.416 -4.673 1.00 0.00 H new ATOM 0 HA THR A 65 -8.446 11.829 -5.800 1.00 0.00 H new ATOM 0 HB THR A 65 -8.290 14.528 -7.171 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.621 14.393 -6.952 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.627 13.427 -8.915 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.061 12.614 -8.686 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.544 11.893 -8.016 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.692 13.543 -6.412 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.288 13.449 -6.791 1.00 0.00 C ATOM 1035 C ASP A 66 -3.629 12.223 -6.180 1.00 0.00 C ATOM 1036 O ASP A 66 -2.924 11.483 -6.861 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.558 14.708 -6.321 1.00 0.00 C ATOM 1038 CG ASP A 66 -4.137 15.937 -6.996 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -5.290 16.257 -6.624 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -3.446 16.494 -7.873 1.00 0.00 O ATOM 0 H ASP A 66 -5.962 14.483 -6.121 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.229 13.358 -7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.645 14.804 -5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.495 14.627 -6.549 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.878 11.993 -4.889 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.368 10.818 -4.209 1.00 0.00 C ATOM 1047 C ALA A 67 -3.732 9.543 -4.964 1.00 0.00 C ATOM 1048 O ALA A 67 -2.870 8.690 -5.117 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.871 10.748 -2.769 1.00 0.00 C ATOM 0 H ALA A 67 -4.433 12.612 -4.298 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.282 10.902 -4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.471 9.856 -2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.542 11.633 -2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.960 10.705 -2.766 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.971 9.390 -5.447 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.375 8.179 -6.158 1.00 0.00 C ATOM 1057 C ARG A 68 -4.527 7.976 -7.420 1.00 0.00 C ATOM 1058 O ARG A 68 -4.073 6.861 -7.694 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.883 8.163 -6.457 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.677 8.213 -5.140 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.957 7.357 -5.159 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.516 7.156 -3.801 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.253 8.044 -3.107 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -10.536 9.229 -3.657 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -10.714 7.761 -1.885 1.00 0.00 N ATOM 0 H ARG A 68 -5.707 10.090 -5.357 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.187 7.330 -5.501 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.148 9.014 -7.084 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.143 7.263 -7.015 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.036 7.875 -4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.945 9.248 -4.926 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.704 7.838 -5.790 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.737 6.388 -5.607 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.325 6.261 -3.350 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.195 9.452 -4.592 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.093 9.910 -3.142 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.509 6.857 -1.460 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.270 8.449 -1.378 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.286 9.049 -8.175 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.387 9.000 -9.321 1.00 0.00 C ATOM 1081 C GLU A 69 -1.971 8.619 -8.876 1.00 0.00 C ATOM 1082 O GLU A 69 -1.352 7.708 -9.422 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.387 10.350 -10.054 1.00 0.00 C ATOM 1084 CG GLU A 69 -4.538 10.450 -11.065 1.00 0.00 C ATOM 1085 CD GLU A 69 -4.078 10.027 -12.455 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.084 8.802 -12.703 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -3.711 10.937 -13.228 1.00 0.00 O ATOM 0 H GLU A 69 -4.704 9.964 -8.010 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.741 8.235 -10.012 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.470 11.158 -9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.437 10.483 -10.571 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.366 9.818 -10.743 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.912 11.473 -11.097 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.448 9.302 -7.859 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.102 9.048 -7.371 1.00 0.00 C ATOM 1096 C LEU A 70 0.039 7.591 -6.913 1.00 0.00 C ATOM 1097 O LEU A 70 1.046 6.946 -7.188 1.00 0.00 O ATOM 1098 CB LEU A 70 0.258 10.052 -6.267 1.00 0.00 C ATOM 1099 CG LEU A 70 1.775 10.277 -6.192 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.251 11.246 -7.284 1.00 0.00 C ATOM 1101 CD2 LEU A 70 2.154 10.859 -4.826 1.00 0.00 C ATOM 0 H LEU A 70 -1.943 10.039 -7.357 1.00 0.00 H new ATOM 0 HA LEU A 70 0.611 9.192 -8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.244 11.001 -6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.106 9.686 -5.307 1.00 0.00 H new ATOM 0 HG LEU A 70 2.257 9.310 -6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.329 11.384 -7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.010 10.836 -8.265 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.752 12.207 -7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.232 11.015 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.644 11.811 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.856 10.165 -4.040 1.00 0.00 H new ATOM 1113 N SER A 71 -0.995 7.047 -6.261 1.00 0.00 N ATOM 1114 CA SER A 71 -1.079 5.633 -5.940 1.00 0.00 C ATOM 1115 C SER A 71 -0.820 4.814 -7.197 1.00 0.00 C ATOM 1116 O SER A 71 0.023 3.926 -7.175 1.00 0.00 O ATOM 1117 CB SER A 71 -2.439 5.256 -5.335 1.00 0.00 C ATOM 1118 OG SER A 71 -2.837 6.111 -4.288 1.00 0.00 O ATOM 0 H SER A 71 -1.799 7.587 -5.942 1.00 0.00 H new ATOM 0 HA SER A 71 -0.321 5.414 -5.188 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.196 5.275 -6.119 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.392 4.233 -4.962 1.00 0.00 H new ATOM 0 HG SER A 71 -2.996 7.011 -4.643 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.527 5.109 -8.295 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.324 4.419 -9.565 1.00 0.00 C ATOM 1126 C LYS A 72 0.169 4.347 -9.922 1.00 0.00 C ATOM 1127 O LYS A 72 0.675 3.272 -10.224 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.150 5.058 -10.697 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.158 4.095 -11.334 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.478 4.096 -10.551 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.521 3.224 -11.266 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.893 3.510 -10.800 1.00 0.00 N ATOM 0 H LYS A 72 -2.250 5.828 -8.324 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.684 3.397 -9.447 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.684 5.923 -10.303 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.473 5.425 -11.468 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.343 4.386 -12.368 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.743 3.087 -11.355 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.310 3.721 -9.541 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.851 5.116 -10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.460 3.394 -12.341 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.292 2.172 -11.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.566 2.901 -11.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.959 3.324 -9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.122 4.507 -10.985 1.00 0.00 H new ATOM 1146 N THR A 73 0.904 5.456 -9.835 1.00 0.00 N ATOM 1147 CA THR A 73 2.337 5.478 -10.091 1.00 0.00 C ATOM 1148 C THR A 73 3.140 4.528 -9.182 1.00 0.00 C ATOM 1149 O THR A 73 4.229 4.107 -9.566 1.00 0.00 O ATOM 1150 CB THR A 73 2.799 6.940 -10.010 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.284 7.639 -11.125 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.313 7.103 -9.967 1.00 0.00 C ATOM 0 H THR A 73 0.517 6.366 -9.584 1.00 0.00 H new ATOM 0 HA THR A 73 2.535 5.087 -11.089 1.00 0.00 H new ATOM 0 HB THR A 73 2.420 7.344 -9.071 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.570 8.575 -11.085 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.563 8.162 -9.910 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.710 6.589 -9.091 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.751 6.674 -10.869 1.00 0.00 H new ATOM 1160 N TYR A 74 2.622 4.166 -8.006 1.00 0.00 N ATOM 1161 CA TYR A 74 3.261 3.239 -7.075 1.00 0.00 C ATOM 1162 C TYR A 74 2.601 1.854 -7.112 1.00 0.00 C ATOM 1163 O TYR A 74 2.928 0.979 -6.308 1.00 0.00 O ATOM 1164 CB TYR A 74 3.193 3.825 -5.662 1.00 0.00 C ATOM 1165 CG TYR A 74 3.986 5.107 -5.447 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.388 5.119 -5.588 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.323 6.295 -5.091 1.00 0.00 C ATOM 1168 CE1 TYR A 74 6.110 6.325 -5.460 1.00 0.00 C ATOM 1169 CE2 TYR A 74 4.044 7.496 -4.967 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.433 7.524 -5.181 1.00 0.00 C ATOM 1171 OH TYR A 74 6.081 8.731 -5.182 1.00 0.00 O ATOM 0 H TYR A 74 1.726 4.518 -7.669 1.00 0.00 H new ATOM 0 HA TYR A 74 4.301 3.108 -7.373 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.149 4.019 -5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.551 3.074 -4.958 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.914 4.199 -5.796 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.258 6.285 -4.912 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.184 6.326 -5.577 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.525 8.406 -4.705 1.00 0.00 H new ATOM 0 HH TYR A 74 6.950 8.636 -4.740 1.00 0.00 H new ATOM 1181 N ILE A 75 1.644 1.649 -8.020 1.00 0.00 N ATOM 1182 CA ILE A 75 0.955 0.379 -8.166 1.00 0.00 C ATOM 1183 C ILE A 75 1.966 -0.661 -8.623 1.00 0.00 C ATOM 1184 O ILE A 75 2.677 -0.451 -9.604 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.263 0.518 -9.101 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.383 -0.464 -8.704 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.070 0.342 -10.594 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.738 -0.016 -9.258 1.00 0.00 C ATOM 0 H ILE A 75 1.329 2.366 -8.674 1.00 0.00 H new ATOM 0 HA ILE A 75 0.542 0.047 -7.213 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.604 1.545 -8.972 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.146 -1.460 -9.078 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.438 -0.537 -7.618 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.839 0.454 -11.185 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.795 1.097 -10.897 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.490 -0.650 -10.759 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.507 -0.729 -8.961 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.985 0.969 -8.863 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.689 0.032 -10.346 1.00 0.00 H new ATOM 1200 N ILE A 76 2.051 -1.773 -7.898 1.00 0.00 N ATOM 1201 CA ILE A 76 2.901 -2.876 -8.314 1.00 0.00 C ATOM 1202 C ILE A 76 2.052 -3.920 -9.012 1.00 0.00 C ATOM 1203 O ILE A 76 2.478 -4.462 -10.026 1.00 0.00 O ATOM 1204 CB ILE A 76 3.714 -3.434 -7.141 1.00 0.00 C ATOM 1205 CG1 ILE A 76 2.822 -4.006 -6.025 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.648 -2.325 -6.648 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.605 -4.401 -4.776 1.00 0.00 C ATOM 0 H ILE A 76 1.545 -1.930 -7.027 1.00 0.00 H new ATOM 0 HA ILE A 76 3.644 -2.521 -9.029 1.00 0.00 H new ATOM 0 HB ILE A 76 4.308 -4.285 -7.475 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.068 -3.266 -5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.290 -4.879 -6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.241 -2.694 -5.811 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.312 -2.022 -7.457 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.057 -1.469 -6.324 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.919 -4.797 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.341 -5.163 -5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.115 -3.525 -4.374 1.00 0.00 H new ATOM 1219 N GLY A 77 0.859 -4.192 -8.478 1.00 0.00 N ATOM 1220 CA GLY A 77 0.007 -5.272 -8.921 1.00 0.00 C ATOM 1221 C GLY A 77 -1.242 -5.311 -8.052 1.00 0.00 C ATOM 1222 O GLY A 77 -1.640 -4.274 -7.515 1.00 0.00 O ATOM 0 H GLY A 77 0.460 -3.651 -7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.267 -5.130 -9.966 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.539 -6.221 -8.857 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.851 -6.489 -7.909 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.194 -6.610 -7.359 1.00 0.00 C ATOM 1228 C GLU A 78 -3.321 -7.744 -6.346 1.00 0.00 C ATOM 1229 O GLU A 78 -2.444 -8.593 -6.218 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.221 -6.725 -8.494 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.247 -5.469 -9.379 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.425 -5.474 -10.349 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.531 -5.856 -9.908 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.200 -5.079 -11.513 1.00 0.00 O ATOM 0 H GLU A 78 -1.427 -7.379 -8.171 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.404 -5.700 -6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.987 -7.595 -9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.212 -6.890 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.302 -4.582 -8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.315 -5.403 -9.941 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.424 -7.725 -5.597 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.767 -8.764 -4.641 1.00 0.00 C ATOM 1243 C LEU A 79 -5.161 -10.027 -5.405 1.00 0.00 C ATOM 1244 O LEU A 79 -6.002 -9.954 -6.301 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.929 -8.265 -3.769 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.412 -7.455 -2.571 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -6.461 -6.429 -2.140 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -5.092 -8.399 -1.408 1.00 0.00 C ATOM 0 H LEU A 79 -5.111 -6.973 -5.643 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.919 -8.996 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.598 -7.647 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.512 -9.115 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.504 -6.927 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.085 -5.860 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.668 -5.751 -2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.378 -6.944 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.725 -7.820 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.994 -8.937 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.328 -9.112 -1.718 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.545 -11.167 -5.069 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.814 -12.454 -5.704 1.00 0.00 C ATOM 1262 C HIS A 80 -6.323 -12.698 -5.902 1.00 0.00 C ATOM 1263 O HIS A 80 -7.103 -12.492 -4.969 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.173 -13.554 -4.849 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.954 -14.860 -5.564 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.555 -16.063 -5.270 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -3.000 -15.095 -6.518 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -4.000 -16.995 -6.064 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -3.052 -16.452 -6.844 1.00 0.00 N ATOM 0 H HIS A 80 -3.836 -11.217 -4.337 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.378 -12.461 -6.703 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.214 -13.194 -4.478 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.805 -13.733 -3.979 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.329 -14.363 -6.942 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.279 -18.038 -6.073 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.482 -16.935 -7.538 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.757 -13.132 -7.101 1.00 0.00 N ATOM 1278 CA PRO A 81 -8.167 -13.219 -7.451 1.00 0.00 C ATOM 1279 C PRO A 81 -8.941 -14.118 -6.486 1.00 0.00 C ATOM 1280 O PRO A 81 -10.088 -13.819 -6.162 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.230 -13.705 -8.903 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.854 -14.315 -9.163 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.930 -13.557 -8.218 1.00 0.00 C ATOM 0 HA PRO A 81 -8.652 -12.247 -7.364 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.023 -14.440 -9.041 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.435 -12.883 -9.588 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.846 -15.385 -8.956 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.552 -14.189 -10.203 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.113 -14.193 -7.878 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.479 -12.700 -8.718 1.00 0.00 H new