USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 826 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 87 HIS : no HE2:sc= 0.217 K(o=3.4,f=0.75) USER MOD Set 1.2: A 91 THR OG1 : rot -90:sc= 2.06 USER MOD Set 1.3: A 93 GLN : amide:sc= 1.17 K(o=3.4,f=1.2) USER MOD Set 2.1: A 52 SER OG : rot 60:sc= 1.28 USER MOD Set 2.2: A 61 HIS : no HD1:sc= 0.687 K(o=2,f=-2.6) USER MOD Set 3.1: A 20 HIS : no HD1:sc= -0.037 K(o=0.83,f=-3.1) USER MOD Set 3.2: A 109 SER OG : rot 93:sc= 0.871 USER MOD Single : A 10 GLN : amide:sc= -0.053 X(o=-0.053,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.798 X(o=-0.8,f=-0.49) USER MOD Single : A 16 GLN : amide:sc= 0.00114 X(o=0.0011,f=0.011) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.812 K(o=-0.81,f=-1.3) USER MOD Single : A 35 SER OG : rot 35:sc= 0.181 USER MOD Single : A 43 SER OG : rot -57:sc= 0.309 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.063) USER MOD Single : A 47 GLN : amide:sc= -2.54! C(o=-2.5!,f=-0.96!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.581 K(o=0.58,f=-0.044) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0737 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0828 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 1.62 K(o=1.6,f=-0.26) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0288 USER MOD Single : A 97 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0106) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -36:sc= 0.223 USER MOD Single : A 104 HIS : no HD1:sc= -0.0948 X(o=-0.095,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 10.995 8.327 7.167 1.00 0.00 N ATOM 67 CA GLU A 8 10.971 7.195 6.249 1.00 0.00 C ATOM 68 C GLU A 8 10.025 7.473 5.081 1.00 0.00 C ATOM 69 O GLU A 8 10.391 7.253 3.929 1.00 0.00 O ATOM 70 CB GLU A 8 10.576 5.946 7.061 1.00 0.00 C ATOM 71 CG GLU A 8 10.526 4.631 6.268 1.00 0.00 C ATOM 72 CD GLU A 8 9.411 4.581 5.221 1.00 0.00 C ATOM 73 OE1 GLU A 8 8.245 4.882 5.559 1.00 0.00 O ATOM 74 OE2 GLU A 8 9.693 4.232 4.056 1.00 0.00 O ATOM 0 HA GLU A 8 11.950 7.026 5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.284 5.829 7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.597 6.119 7.507 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.485 4.481 5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.395 3.803 6.964 1.00 0.00 H new ATOM 81 N VAL A 9 8.853 8.036 5.373 1.00 0.00 N ATOM 82 CA VAL A 9 7.816 8.358 4.407 1.00 0.00 C ATOM 83 C VAL A 9 8.300 9.225 3.229 1.00 0.00 C ATOM 84 O VAL A 9 7.690 9.182 2.161 1.00 0.00 O ATOM 85 CB VAL A 9 6.643 8.978 5.194 1.00 0.00 C ATOM 86 CG1 VAL A 9 6.881 10.451 5.560 1.00 0.00 C ATOM 87 CG2 VAL A 9 5.327 8.821 4.447 1.00 0.00 C ATOM 0 H VAL A 9 8.595 8.288 6.327 1.00 0.00 H new ATOM 0 HA VAL A 9 7.489 7.448 3.905 1.00 0.00 H new ATOM 0 HB VAL A 9 6.581 8.422 6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.022 10.832 6.112 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.775 10.532 6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.015 11.035 4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.522 9.269 5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.396 9.320 3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.119 7.762 4.295 1.00 0.00 H new ATOM 97 N GLN A 10 9.353 10.038 3.401 1.00 0.00 N ATOM 98 CA GLN A 10 9.870 10.880 2.322 1.00 0.00 C ATOM 99 C GLN A 10 10.599 10.056 1.253 1.00 0.00 C ATOM 100 O GLN A 10 10.861 10.570 0.156 1.00 0.00 O ATOM 101 CB GLN A 10 10.838 11.945 2.857 1.00 0.00 C ATOM 102 CG GLN A 10 10.154 13.119 3.571 1.00 0.00 C ATOM 103 CD GLN A 10 10.275 13.104 5.085 1.00 0.00 C ATOM 104 OE1 GLN A 10 9.288 13.242 5.798 1.00 0.00 O ATOM 105 NE2 GLN A 10 11.478 13.064 5.635 1.00 0.00 N ATOM 0 H GLN A 10 9.861 10.127 4.281 1.00 0.00 H new ATOM 0 HA GLN A 10 9.002 11.363 1.873 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.535 11.471 3.548 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.427 12.334 2.026 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.578 14.050 3.196 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.097 13.121 3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.304 12.949 5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.579 13.148 6.646 1.00 0.00 H new ATOM 114 N LYS A 11 10.988 8.812 1.555 1.00 0.00 N ATOM 115 CA LYS A 11 11.688 7.982 0.589 1.00 0.00 C ATOM 116 C LYS A 11 10.805 7.771 -0.637 1.00 0.00 C ATOM 117 O LYS A 11 9.577 7.716 -0.522 1.00 0.00 O ATOM 118 CB LYS A 11 12.097 6.638 1.196 1.00 0.00 C ATOM 119 CG LYS A 11 13.255 6.807 2.189 1.00 0.00 C ATOM 120 CD LYS A 11 13.825 5.461 2.636 1.00 0.00 C ATOM 121 CE LYS A 11 12.744 4.617 3.315 1.00 0.00 C ATOM 122 NZ LYS A 11 13.287 3.379 3.900 1.00 0.00 N ATOM 0 H LYS A 11 10.827 8.366 2.458 1.00 0.00 H new ATOM 0 HA LYS A 11 12.602 8.495 0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.242 6.190 1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.392 5.952 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.045 7.400 1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.907 7.361 3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.225 4.925 1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.654 5.622 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.264 5.206 4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.973 4.365 2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.518 2.841 4.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.722 2.803 3.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.004 3.618 4.614 1.00 0.00 H new ATOM 136 N PRO A 12 11.417 7.644 -1.820 1.00 0.00 N ATOM 137 CA PRO A 12 10.665 7.435 -3.043 1.00 0.00 C ATOM 138 C PRO A 12 9.918 6.110 -2.953 1.00 0.00 C ATOM 139 O PRO A 12 10.347 5.207 -2.232 1.00 0.00 O ATOM 140 CB PRO A 12 11.710 7.449 -4.155 1.00 0.00 C ATOM 141 CG PRO A 12 13.023 7.095 -3.464 1.00 0.00 C ATOM 142 CD PRO A 12 12.850 7.679 -2.071 1.00 0.00 C ATOM 0 HA PRO A 12 9.907 8.197 -3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.467 6.727 -4.935 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.766 8.427 -4.632 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.183 6.017 -3.432 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.879 7.530 -3.979 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.395 7.096 -1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.234 8.698 -2.020 1.00 0.00 H new ATOM 150 N LEU A 13 8.824 5.962 -3.705 1.00 0.00 N ATOM 151 CA LEU A 13 8.059 4.718 -3.681 1.00 0.00 C ATOM 152 C LEU A 13 8.960 3.546 -4.094 1.00 0.00 C ATOM 153 O LEU A 13 8.809 2.456 -3.556 1.00 0.00 O ATOM 154 CB LEU A 13 6.774 4.859 -4.524 1.00 0.00 C ATOM 155 CG LEU A 13 6.105 3.536 -4.971 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.608 3.747 -5.222 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.712 3.057 -6.300 1.00 0.00 C ATOM 0 H LEU A 13 8.454 6.679 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 13 7.720 4.499 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.048 5.434 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.010 5.442 -5.414 1.00 0.00 H new ATOM 0 HG LEU A 13 6.266 2.806 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.155 2.806 -5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.130 4.092 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.472 4.493 -6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.234 2.126 -6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.552 3.815 -7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.782 2.890 -6.172 1.00 0.00 H new ATOM 169 N HIS A 14 9.940 3.758 -4.981 1.00 0.00 N ATOM 170 CA HIS A 14 10.837 2.688 -5.409 1.00 0.00 C ATOM 171 C HIS A 14 11.800 2.210 -4.307 1.00 0.00 C ATOM 172 O HIS A 14 12.488 1.213 -4.512 1.00 0.00 O ATOM 173 CB HIS A 14 11.561 3.051 -6.713 1.00 0.00 C ATOM 174 CG HIS A 14 12.386 4.310 -6.660 1.00 0.00 C ATOM 175 ND1 HIS A 14 13.524 4.517 -5.913 1.00 0.00 N ATOM 176 CD2 HIS A 14 12.152 5.445 -7.386 1.00 0.00 C ATOM 177 CE1 HIS A 14 13.951 5.763 -6.168 1.00 0.00 C ATOM 178 NE2 HIS A 14 13.138 6.377 -7.044 1.00 0.00 N ATOM 0 H HIS A 14 10.128 4.662 -5.414 1.00 0.00 H new ATOM 0 HA HIS A 14 10.204 1.825 -5.618 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.211 2.222 -6.992 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.819 3.155 -7.505 1.00 0.00 H new ATOM 0 HD2 HIS A 14 11.351 5.595 -8.095 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.830 6.212 -5.729 1.00 0.00 H new ATOM 0 HE2 HIS A 14 13.223 7.333 -7.391 1.00 0.00 H new ATOM 186 N GLU A 15 11.894 2.899 -3.164 1.00 0.00 N ATOM 187 CA GLU A 15 12.762 2.523 -2.044 1.00 0.00 C ATOM 188 C GLU A 15 11.984 1.789 -0.948 1.00 0.00 C ATOM 189 O GLU A 15 12.572 1.273 0.002 1.00 0.00 O ATOM 190 CB GLU A 15 13.377 3.796 -1.432 1.00 0.00 C ATOM 191 CG GLU A 15 14.776 4.102 -1.958 1.00 0.00 C ATOM 192 CD GLU A 15 15.745 2.968 -1.610 1.00 0.00 C ATOM 193 OE1 GLU A 15 15.865 2.636 -0.409 1.00 0.00 O ATOM 194 OE2 GLU A 15 16.297 2.330 -2.534 1.00 0.00 O ATOM 0 H GLU A 15 11.359 3.749 -2.989 1.00 0.00 H new ATOM 0 HA GLU A 15 13.535 1.858 -2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.724 4.643 -1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.420 3.686 -0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.742 4.239 -3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.135 5.038 -1.529 1.00 0.00 H new ATOM 201 N GLN A 16 10.660 1.791 -1.054 1.00 0.00 N ATOM 202 CA GLN A 16 9.754 1.173 -0.107 1.00 0.00 C ATOM 203 C GLN A 16 9.901 -0.342 -0.101 1.00 0.00 C ATOM 204 O GLN A 16 9.999 -0.973 -1.156 1.00 0.00 O ATOM 205 CB GLN A 16 8.319 1.561 -0.470 1.00 0.00 C ATOM 206 CG GLN A 16 8.096 3.079 -0.390 1.00 0.00 C ATOM 207 CD GLN A 16 8.263 3.603 1.027 1.00 0.00 C ATOM 208 OE1 GLN A 16 7.908 2.932 1.989 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.795 4.796 1.201 1.00 0.00 N ATOM 0 H GLN A 16 10.176 2.240 -1.831 1.00 0.00 H new ATOM 0 HA GLN A 16 9.998 1.529 0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.094 1.214 -1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.626 1.057 0.203 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.801 3.585 -1.049 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.095 3.318 -0.750 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.087 5.347 0.394 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.914 5.169 2.143 1.00 0.00 H new ATOM 218 N LEU A 17 9.839 -0.940 1.088 1.00 0.00 N ATOM 219 CA LEU A 17 9.962 -2.386 1.268 1.00 0.00 C ATOM 220 C LEU A 17 8.796 -3.119 0.604 1.00 0.00 C ATOM 221 O LEU A 17 8.949 -4.243 0.134 1.00 0.00 O ATOM 222 CB LEU A 17 10.002 -2.829 2.751 1.00 0.00 C ATOM 223 CG LEU A 17 10.498 -1.897 3.871 1.00 0.00 C ATOM 224 CD1 LEU A 17 11.865 -1.265 3.592 1.00 0.00 C ATOM 225 CD2 LEU A 17 9.434 -0.863 4.264 1.00 0.00 C ATOM 0 H LEU A 17 9.701 -0.430 1.961 1.00 0.00 H new ATOM 0 HA LEU A 17 10.914 -2.645 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.988 -3.127 3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.619 -3.727 2.794 1.00 0.00 H new ATOM 0 HG LEU A 17 10.661 -2.535 4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.146 -0.622 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.611 -2.050 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.812 -0.672 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.823 -0.224 5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.182 -0.252 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.540 -1.377 4.617 1.00 0.00 H new ATOM 237 N TRP A 18 7.619 -2.490 0.620 1.00 0.00 N ATOM 238 CA TRP A 18 6.377 -2.999 0.061 1.00 0.00 C ATOM 239 C TRP A 18 6.252 -2.781 -1.444 1.00 0.00 C ATOM 240 O TRP A 18 5.235 -3.170 -2.025 1.00 0.00 O ATOM 241 CB TRP A 18 5.209 -2.340 0.801 1.00 0.00 C ATOM 242 CG TRP A 18 5.318 -0.874 1.125 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.720 -0.339 2.302 1.00 0.00 C ATOM 244 CD2 TRP A 18 5.010 0.269 0.270 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.580 1.030 2.262 1.00 0.00 N ATOM 246 CE2 TRP A 18 5.099 1.456 1.048 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.699 0.431 -1.094 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.800 2.718 0.525 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.436 1.701 -1.646 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.460 2.845 -0.829 1.00 0.00 C ATOM 0 H TRP A 18 7.507 -1.569 1.044 1.00 0.00 H new ATOM 0 HA TRP A 18 6.366 -4.080 0.200 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.310 -2.484 0.202 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.059 -2.879 1.736 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.094 -0.901 3.145 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.806 1.652 3.039 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.661 -0.439 -1.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.831 3.590 1.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.216 1.796 -2.699 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.218 3.814 -1.241 1.00 0.00 H new ATOM 261 N TYR A 19 7.207 -2.105 -2.084 1.00 0.00 N ATOM 262 CA TYR A 19 7.153 -1.883 -3.513 1.00 0.00 C ATOM 263 C TYR A 19 7.848 -3.074 -4.163 1.00 0.00 C ATOM 264 O TYR A 19 9.038 -3.042 -4.477 1.00 0.00 O ATOM 265 CB TYR A 19 7.770 -0.542 -3.875 1.00 0.00 C ATOM 266 CG TYR A 19 7.707 -0.315 -5.360 1.00 0.00 C ATOM 267 CD1 TYR A 19 6.458 -0.310 -5.998 1.00 0.00 C ATOM 268 CD2 TYR A 19 8.886 -0.213 -6.110 1.00 0.00 C ATOM 269 CE1 TYR A 19 6.378 -0.136 -7.390 1.00 0.00 C ATOM 270 CE2 TYR A 19 8.818 -0.010 -7.495 1.00 0.00 C ATOM 271 CZ TYR A 19 7.563 0.047 -8.143 1.00 0.00 C ATOM 272 OH TYR A 19 7.499 0.237 -9.486 1.00 0.00 O ATOM 0 H TYR A 19 8.026 -1.704 -1.626 1.00 0.00 H new ATOM 0 HA TYR A 19 6.129 -1.823 -3.881 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.243 0.259 -3.356 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.807 -0.510 -3.540 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.556 -0.440 -5.418 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.846 -0.291 -5.621 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.417 -0.142 -7.883 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.726 0.103 -8.068 1.00 0.00 H new ATOM 0 HH TYR A 19 8.405 0.347 -9.844 1.00 0.00 H new ATOM 282 N HIS A 20 7.085 -4.143 -4.356 1.00 0.00 N ATOM 283 CA HIS A 20 7.618 -5.382 -4.927 1.00 0.00 C ATOM 284 C HIS A 20 7.878 -5.328 -6.438 1.00 0.00 C ATOM 285 O HIS A 20 8.495 -6.238 -6.984 1.00 0.00 O ATOM 286 CB HIS A 20 6.640 -6.513 -4.621 1.00 0.00 C ATOM 287 CG HIS A 20 6.502 -6.861 -3.154 1.00 0.00 C ATOM 288 ND1 HIS A 20 7.219 -7.829 -2.486 1.00 0.00 N ATOM 289 CD2 HIS A 20 5.645 -6.298 -2.244 1.00 0.00 C ATOM 290 CE1 HIS A 20 6.794 -7.847 -1.211 1.00 0.00 C ATOM 291 NE2 HIS A 20 5.818 -6.947 -1.027 1.00 0.00 N ATOM 0 H HIS A 20 6.092 -4.180 -4.126 1.00 0.00 H new ATOM 0 HA HIS A 20 8.592 -5.545 -4.467 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.658 -6.239 -5.008 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.958 -7.404 -5.162 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.955 -5.490 -2.439 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.185 -8.496 -0.442 1.00 0.00 H new ATOM 0 HE2 HIS A 20 5.303 -6.773 -0.164 1.00 0.00 H new ATOM 299 N GLY A 21 7.409 -4.288 -7.127 1.00 0.00 N ATOM 300 CA GLY A 21 7.571 -4.124 -8.567 1.00 0.00 C ATOM 301 C GLY A 21 6.313 -4.570 -9.309 1.00 0.00 C ATOM 302 O GLY A 21 5.218 -4.612 -8.735 1.00 0.00 O ATOM 0 H GLY A 21 6.896 -3.523 -6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.783 -3.080 -8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.426 -4.706 -8.910 1.00 0.00 H new ATOM 306 N ALA A 22 6.438 -4.841 -10.604 1.00 0.00 N ATOM 307 CA ALA A 22 5.362 -5.283 -11.484 1.00 0.00 C ATOM 308 C ALA A 22 5.221 -6.807 -11.397 1.00 0.00 C ATOM 309 O ALA A 22 5.312 -7.508 -12.406 1.00 0.00 O ATOM 310 CB ALA A 22 5.701 -4.803 -12.900 1.00 0.00 C ATOM 0 H ALA A 22 7.331 -4.755 -11.090 1.00 0.00 H new ATOM 0 HA ALA A 22 4.400 -4.863 -11.191 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.916 -5.116 -13.588 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.777 -3.716 -12.907 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.651 -5.235 -13.213 1.00 0.00 H new ATOM 316 N ILE A 23 5.043 -7.336 -10.186 1.00 0.00 N ATOM 317 CA ILE A 23 4.920 -8.773 -9.960 1.00 0.00 C ATOM 318 C ILE A 23 3.492 -9.283 -10.228 1.00 0.00 C ATOM 319 O ILE A 23 2.521 -8.535 -10.042 1.00 0.00 O ATOM 320 CB ILE A 23 5.449 -9.143 -8.555 1.00 0.00 C ATOM 321 CG1 ILE A 23 4.612 -8.590 -7.382 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.907 -8.666 -8.430 1.00 0.00 C ATOM 323 CD1 ILE A 23 4.856 -9.404 -6.104 1.00 0.00 C ATOM 0 H ILE A 23 4.980 -6.778 -9.334 1.00 0.00 H new ATOM 0 HA ILE A 23 5.547 -9.291 -10.686 1.00 0.00 H new ATOM 0 HB ILE A 23 5.374 -10.227 -8.474 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.869 -7.545 -7.207 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.553 -8.619 -7.640 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.290 -8.922 -7.442 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.516 -9.152 -9.193 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.949 -7.585 -8.567 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.255 -8.995 -5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.575 -10.443 -6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.911 -9.353 -5.836 1.00 0.00 H new ATOM 335 N PRO A 24 3.339 -10.553 -10.650 1.00 0.00 N ATOM 336 CA PRO A 24 2.030 -11.130 -10.914 1.00 0.00 C ATOM 337 C PRO A 24 1.298 -11.366 -9.590 1.00 0.00 C ATOM 338 O PRO A 24 1.911 -11.547 -8.536 1.00 0.00 O ATOM 339 CB PRO A 24 2.306 -12.445 -11.653 1.00 0.00 C ATOM 340 CG PRO A 24 3.671 -12.873 -11.117 1.00 0.00 C ATOM 341 CD PRO A 24 4.385 -11.538 -10.915 1.00 0.00 C ATOM 0 HA PRO A 24 1.393 -10.479 -11.512 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.540 -13.192 -11.444 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.325 -12.302 -12.733 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.583 -13.431 -10.185 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.201 -13.513 -11.823 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.087 -11.594 -10.083 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.960 -11.266 -11.800 1.00 0.00 H new ATOM 349 N ARG A 25 -0.035 -11.427 -9.636 1.00 0.00 N ATOM 350 CA ARG A 25 -0.847 -11.647 -8.438 1.00 0.00 C ATOM 351 C ARG A 25 -0.558 -12.997 -7.789 1.00 0.00 C ATOM 352 O ARG A 25 -0.824 -13.135 -6.598 1.00 0.00 O ATOM 353 CB ARG A 25 -2.322 -11.588 -8.831 1.00 0.00 C ATOM 354 CG ARG A 25 -3.358 -11.515 -7.698 1.00 0.00 C ATOM 355 CD ARG A 25 -4.733 -11.964 -8.228 1.00 0.00 C ATOM 356 NE ARG A 25 -4.739 -13.380 -8.632 1.00 0.00 N ATOM 357 CZ ARG A 25 -4.528 -14.439 -7.846 1.00 0.00 C ATOM 358 NH1 ARG A 25 -4.637 -14.363 -6.526 1.00 0.00 N ATOM 359 NH2 ARG A 25 -4.187 -15.597 -8.384 1.00 0.00 N ATOM 0 H ARG A 25 -0.576 -11.327 -10.495 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.600 -10.871 -7.713 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.464 -10.718 -9.473 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.545 -12.469 -9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.051 -12.152 -6.869 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.420 -10.497 -7.313 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.487 -11.805 -7.457 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.012 -11.344 -9.080 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.924 -13.572 -9.616 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.888 -13.478 -6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.470 -15.189 -5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.086 -15.679 -9.396 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.025 -16.408 -7.788 1.00 0.00 H new ATOM 373 N ALA A 26 -0.049 -13.968 -8.553 1.00 0.00 N ATOM 374 CA ALA A 26 0.268 -15.291 -8.047 1.00 0.00 C ATOM 375 C ALA A 26 1.227 -15.188 -6.853 1.00 0.00 C ATOM 376 O ALA A 26 1.044 -15.894 -5.865 1.00 0.00 O ATOM 377 CB ALA A 26 0.843 -16.150 -9.178 1.00 0.00 C ATOM 0 H ALA A 26 0.153 -13.849 -9.546 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.640 -15.776 -7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.080 -17.143 -8.796 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.109 -16.235 -9.979 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.749 -15.684 -9.564 1.00 0.00 H new ATOM 383 N GLU A 27 2.216 -14.293 -6.935 1.00 0.00 N ATOM 384 CA GLU A 27 3.190 -14.074 -5.868 1.00 0.00 C ATOM 385 C GLU A 27 2.502 -13.320 -4.737 1.00 0.00 C ATOM 386 O GLU A 27 2.525 -13.740 -3.584 1.00 0.00 O ATOM 387 CB GLU A 27 4.348 -13.212 -6.399 1.00 0.00 C ATOM 388 CG GLU A 27 5.412 -14.010 -7.148 1.00 0.00 C ATOM 389 CD GLU A 27 6.455 -14.679 -6.244 1.00 0.00 C ATOM 390 OE1 GLU A 27 6.288 -14.745 -5.000 1.00 0.00 O ATOM 391 OE2 GLU A 27 7.465 -15.128 -6.831 1.00 0.00 O ATOM 0 H GLU A 27 2.362 -13.697 -7.750 1.00 0.00 H new ATOM 0 HA GLU A 27 3.576 -15.031 -5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.945 -12.447 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.817 -12.693 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.920 -14.778 -7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.925 -13.346 -7.844 1.00 0.00 H new ATOM 398 N VAL A 28 1.858 -12.203 -5.090 1.00 0.00 N ATOM 399 CA VAL A 28 1.150 -11.316 -4.179 1.00 0.00 C ATOM 400 C VAL A 28 0.245 -12.106 -3.252 1.00 0.00 C ATOM 401 O VAL A 28 0.276 -11.847 -2.059 1.00 0.00 O ATOM 402 CB VAL A 28 0.364 -10.253 -4.953 1.00 0.00 C ATOM 403 CG1 VAL A 28 -0.329 -9.282 -3.986 1.00 0.00 C ATOM 404 CG2 VAL A 28 1.288 -9.460 -5.880 1.00 0.00 C ATOM 0 H VAL A 28 1.818 -11.885 -6.058 1.00 0.00 H new ATOM 0 HA VAL A 28 1.887 -10.800 -3.564 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.388 -10.769 -5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.882 -8.535 -4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.018 -9.835 -3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.420 -8.787 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.707 -8.711 -6.419 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.059 -8.965 -5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.757 -10.138 -6.593 1.00 0.00 H new ATOM 414 N ALA A 29 -0.567 -13.039 -3.762 1.00 0.00 N ATOM 415 CA ALA A 29 -1.462 -13.825 -2.914 1.00 0.00 C ATOM 416 C ALA A 29 -0.786 -14.549 -1.750 1.00 0.00 C ATOM 417 O ALA A 29 -1.494 -14.882 -0.800 1.00 0.00 O ATOM 418 CB ALA A 29 -2.198 -14.844 -3.769 1.00 0.00 C ATOM 0 H ALA A 29 -0.621 -13.266 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.141 -13.103 -2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.866 -15.432 -3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.780 -14.327 -4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.477 -15.505 -4.249 1.00 0.00 H new ATOM 424 N GLU A 30 0.522 -14.795 -1.801 1.00 0.00 N ATOM 425 CA GLU A 30 1.236 -15.474 -0.733 1.00 0.00 C ATOM 426 C GLU A 30 1.981 -14.492 0.180 1.00 0.00 C ATOM 427 O GLU A 30 2.532 -14.912 1.198 1.00 0.00 O ATOM 428 CB GLU A 30 2.198 -16.514 -1.328 1.00 0.00 C ATOM 429 CG GLU A 30 1.476 -17.578 -2.166 1.00 0.00 C ATOM 430 CD GLU A 30 0.440 -18.378 -1.367 1.00 0.00 C ATOM 431 OE1 GLU A 30 0.778 -18.943 -0.298 1.00 0.00 O ATOM 432 OE2 GLU A 30 -0.716 -18.519 -1.836 1.00 0.00 O ATOM 0 H GLU A 30 1.113 -14.527 -2.588 1.00 0.00 H new ATOM 0 HA GLU A 30 0.502 -15.984 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.936 -16.007 -1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.744 -17.002 -0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.981 -17.094 -3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.213 -18.265 -2.582 1.00 0.00 H new ATOM 439 N LEU A 31 2.024 -13.198 -0.166 1.00 0.00 N ATOM 440 CA LEU A 31 2.695 -12.166 0.616 1.00 0.00 C ATOM 441 C LEU A 31 1.859 -11.802 1.840 1.00 0.00 C ATOM 442 O LEU A 31 2.386 -11.626 2.938 1.00 0.00 O ATOM 443 CB LEU A 31 2.922 -10.907 -0.247 1.00 0.00 C ATOM 444 CG LEU A 31 3.813 -11.104 -1.488 1.00 0.00 C ATOM 445 CD1 LEU A 31 3.952 -9.773 -2.230 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.219 -11.600 -1.151 1.00 0.00 C ATOM 0 H LEU A 31 1.584 -12.839 -1.013 1.00 0.00 H new ATOM 0 HA LEU A 31 3.659 -12.554 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.952 -10.532 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.368 -10.134 0.379 1.00 0.00 H new ATOM 0 HG LEU A 31 3.325 -11.864 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.582 -9.910 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.967 -9.425 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.406 -9.034 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.793 -11.717 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.714 -10.877 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.153 -12.560 -0.639 1.00 0.00 H new ATOM 458 N LEU A 32 0.549 -11.628 1.646 1.00 0.00 N ATOM 459 CA LEU A 32 -0.369 -11.249 2.718 1.00 0.00 C ATOM 460 C LEU A 32 -0.779 -12.484 3.500 1.00 0.00 C ATOM 461 O LEU A 32 -1.517 -13.317 2.968 1.00 0.00 O ATOM 462 CB LEU A 32 -1.618 -10.506 2.204 1.00 0.00 C ATOM 463 CG LEU A 32 -1.355 -9.617 0.982 1.00 0.00 C ATOM 464 CD1 LEU A 32 -1.611 -10.384 -0.317 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.274 -8.412 0.957 1.00 0.00 C ATOM 0 H LEU A 32 0.097 -11.747 0.739 1.00 0.00 H new ATOM 0 HA LEU A 32 0.163 -10.554 3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.385 -11.238 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.019 -9.890 3.009 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.314 -9.302 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.418 -9.732 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.950 -11.249 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.648 -10.718 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.057 -7.807 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.311 -8.746 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.116 -7.815 1.855 1.00 0.00 H new ATOM 477 N VAL A 33 -0.333 -12.602 4.748 1.00 0.00 N ATOM 478 CA VAL A 33 -0.682 -13.750 5.569 1.00 0.00 C ATOM 479 C VAL A 33 -1.861 -13.442 6.492 1.00 0.00 C ATOM 480 O VAL A 33 -2.733 -14.307 6.626 1.00 0.00 O ATOM 481 CB VAL A 33 0.547 -14.279 6.339 1.00 0.00 C ATOM 482 CG1 VAL A 33 1.596 -14.865 5.390 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.272 -13.233 7.188 1.00 0.00 C ATOM 0 H VAL A 33 0.268 -11.918 5.208 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.009 -14.550 4.905 1.00 0.00 H new ATOM 0 HB VAL A 33 0.121 -15.034 7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.447 -15.227 5.967 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.159 -15.692 4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.930 -14.094 4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.120 -13.697 7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.627 -12.426 6.547 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.586 -12.829 7.932 1.00 0.00 H new ATOM 493 N HIS A 34 -1.955 -12.228 7.061 1.00 0.00 N ATOM 494 CA HIS A 34 -3.021 -11.860 7.996 1.00 0.00 C ATOM 495 C HIS A 34 -3.685 -10.502 7.710 1.00 0.00 C ATOM 496 O HIS A 34 -3.240 -9.720 6.868 1.00 0.00 O ATOM 497 CB HIS A 34 -2.422 -11.909 9.416 1.00 0.00 C ATOM 498 CG HIS A 34 -1.726 -13.213 9.751 1.00 0.00 C ATOM 499 ND1 HIS A 34 -2.182 -14.479 9.448 1.00 0.00 N ATOM 500 CD2 HIS A 34 -0.474 -13.355 10.283 1.00 0.00 C ATOM 501 CE1 HIS A 34 -1.228 -15.362 9.768 1.00 0.00 C ATOM 502 NE2 HIS A 34 -0.193 -14.726 10.338 1.00 0.00 N ATOM 0 H HIS A 34 -1.290 -11.476 6.882 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.836 -12.574 7.881 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.710 -11.091 9.526 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.218 -11.738 10.140 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.179 -12.556 10.602 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -1.283 -16.426 9.594 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.640 -15.159 10.736 1.00 0.00 H new ATOM 510 N SER A 35 -4.784 -10.216 8.418 1.00 0.00 N ATOM 511 CA SER A 35 -5.556 -8.983 8.289 1.00 0.00 C ATOM 512 C SER A 35 -4.697 -7.777 8.682 1.00 0.00 C ATOM 513 O SER A 35 -4.231 -7.727 9.827 1.00 0.00 O ATOM 514 CB SER A 35 -6.824 -9.084 9.153 1.00 0.00 C ATOM 515 OG SER A 35 -6.551 -9.413 10.509 1.00 0.00 O ATOM 0 H SER A 35 -5.168 -10.855 9.114 1.00 0.00 H new ATOM 0 HA SER A 35 -5.859 -8.843 7.251 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.358 -8.134 9.116 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.486 -9.839 8.729 1.00 0.00 H new ATOM 0 HG SER A 35 -5.708 -8.995 10.784 1.00 0.00 H new ATOM 521 N GLY A 36 -4.499 -6.785 7.807 1.00 0.00 N ATOM 522 CA GLY A 36 -3.681 -5.628 8.137 1.00 0.00 C ATOM 523 C GLY A 36 -2.377 -5.634 7.350 1.00 0.00 C ATOM 524 O GLY A 36 -1.674 -4.621 7.348 1.00 0.00 O ATOM 0 H GLY A 36 -4.896 -6.766 6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.235 -4.714 7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.464 -5.625 9.205 1.00 0.00 H new ATOM 528 N ASP A 37 -2.036 -6.759 6.714 1.00 0.00 N ATOM 529 CA ASP A 37 -0.844 -6.881 5.891 1.00 0.00 C ATOM 530 C ASP A 37 -1.200 -6.246 4.552 1.00 0.00 C ATOM 531 O ASP A 37 -2.234 -6.597 3.965 1.00 0.00 O ATOM 532 CB ASP A 37 -0.448 -8.350 5.648 1.00 0.00 C ATOM 533 CG ASP A 37 0.265 -9.007 6.831 1.00 0.00 C ATOM 534 OD1 ASP A 37 0.945 -8.299 7.616 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.175 -10.245 6.970 1.00 0.00 O ATOM 0 H ASP A 37 -2.589 -7.615 6.761 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.001 -6.402 6.389 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.345 -8.923 5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.200 -8.401 4.773 1.00 0.00 H new ATOM 540 N PHE A 38 -0.382 -5.316 4.064 1.00 0.00 N ATOM 541 CA PHE A 38 -0.553 -4.636 2.791 1.00 0.00 C ATOM 542 C PHE A 38 0.773 -4.547 2.040 1.00 0.00 C ATOM 543 O PHE A 38 1.847 -4.629 2.631 1.00 0.00 O ATOM 544 CB PHE A 38 -1.107 -3.216 3.004 1.00 0.00 C ATOM 545 CG PHE A 38 -0.105 -2.162 3.430 1.00 0.00 C ATOM 546 CD1 PHE A 38 0.175 -1.953 4.790 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.552 -1.384 2.454 1.00 0.00 C ATOM 548 CE1 PHE A 38 1.126 -0.988 5.164 1.00 0.00 C ATOM 549 CE2 PHE A 38 1.485 -0.407 2.835 1.00 0.00 C ATOM 550 CZ PHE A 38 1.775 -0.210 4.191 1.00 0.00 C ATOM 0 H PHE A 38 0.449 -5.007 4.568 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.262 -5.216 2.200 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.575 -2.888 2.076 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.893 -3.265 3.757 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.338 -2.531 5.545 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.336 -1.541 1.408 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.360 -0.843 6.208 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.978 0.192 2.084 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.495 0.538 4.488 1.00 0.00 H new ATOM 560 N LEU A 39 0.699 -4.348 0.728 1.00 0.00 N ATOM 561 CA LEU A 39 1.824 -4.185 -0.173 1.00 0.00 C ATOM 562 C LEU A 39 1.319 -3.433 -1.408 1.00 0.00 C ATOM 563 O LEU A 39 0.116 -3.173 -1.530 1.00 0.00 O ATOM 564 CB LEU A 39 2.535 -5.523 -0.494 1.00 0.00 C ATOM 565 CG LEU A 39 1.827 -6.632 -1.312 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.749 -7.329 -0.499 1.00 0.00 C ATOM 567 CD2 LEU A 39 1.299 -6.137 -2.657 1.00 0.00 C ATOM 0 H LEU A 39 -0.197 -4.294 0.244 1.00 0.00 H new ATOM 0 HA LEU A 39 2.608 -3.596 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.455 -5.275 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.825 -5.966 0.459 1.00 0.00 H new ATOM 0 HG LEU A 39 2.591 -7.374 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.276 -8.100 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.197 -7.787 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.000 -6.601 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.814 -6.960 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.578 -5.336 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.128 -5.761 -3.257 1.00 0.00 H new ATOM 579 N VAL A 40 2.205 -3.077 -2.336 1.00 0.00 N ATOM 580 CA VAL A 40 1.839 -2.390 -3.569 1.00 0.00 C ATOM 581 C VAL A 40 2.416 -3.190 -4.730 1.00 0.00 C ATOM 582 O VAL A 40 3.463 -3.838 -4.592 1.00 0.00 O ATOM 583 CB VAL A 40 2.360 -0.933 -3.551 1.00 0.00 C ATOM 584 CG1 VAL A 40 2.264 -0.194 -4.899 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.588 -0.113 -2.504 1.00 0.00 C ATOM 0 H VAL A 40 3.205 -3.260 -2.251 1.00 0.00 H new ATOM 0 HA VAL A 40 0.756 -2.329 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 40 3.419 -1.017 -3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.652 0.818 -4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.849 -0.727 -5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.222 -0.150 -5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.960 0.911 -2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.527 -0.112 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.729 -0.557 -1.518 1.00 0.00 H new ATOM 595 N ARG A 41 1.708 -3.193 -5.863 1.00 0.00 N ATOM 596 CA ARG A 41 2.166 -3.854 -7.070 1.00 0.00 C ATOM 597 C ARG A 41 1.835 -2.938 -8.228 1.00 0.00 C ATOM 598 O ARG A 41 0.824 -2.230 -8.183 1.00 0.00 O ATOM 599 CB ARG A 41 1.602 -5.261 -7.238 1.00 0.00 C ATOM 600 CG ARG A 41 0.125 -5.317 -7.628 1.00 0.00 C ATOM 601 CD ARG A 41 -0.290 -6.780 -7.555 1.00 0.00 C ATOM 602 NE ARG A 41 -1.541 -7.057 -8.271 1.00 0.00 N ATOM 603 CZ ARG A 41 -1.605 -7.523 -9.531 1.00 0.00 C ATOM 604 NH1 ARG A 41 -0.500 -7.710 -10.257 1.00 0.00 N ATOM 605 NH2 ARG A 41 -2.786 -7.825 -10.051 1.00 0.00 N ATOM 0 H ARG A 41 0.802 -2.735 -5.961 1.00 0.00 H new ATOM 0 HA ARG A 41 3.242 -4.019 -7.019 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.184 -5.782 -7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.738 -5.806 -6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.477 -4.709 -6.952 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.026 -4.921 -8.632 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.505 -7.399 -7.971 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.404 -7.068 -6.510 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.419 -6.885 -7.781 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.414 -7.499 -9.858 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.570 -8.064 -11.211 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.634 -7.703 -9.497 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.847 -8.179 -11.006 1.00 0.00 H new ATOM 619 N GLU A 42 2.717 -2.878 -9.213 1.00 0.00 N ATOM 620 CA GLU A 42 2.482 -2.070 -10.394 1.00 0.00 C ATOM 621 C GLU A 42 1.565 -2.927 -11.274 1.00 0.00 C ATOM 622 O GLU A 42 1.651 -4.161 -11.252 1.00 0.00 O ATOM 623 CB GLU A 42 3.825 -1.759 -11.072 1.00 0.00 C ATOM 624 CG GLU A 42 3.692 -0.907 -12.342 1.00 0.00 C ATOM 625 CD GLU A 42 4.980 -0.935 -13.162 1.00 0.00 C ATOM 626 OE1 GLU A 42 6.018 -0.447 -12.659 1.00 0.00 O ATOM 627 OE2 GLU A 42 4.935 -1.426 -14.315 1.00 0.00 O ATOM 0 H GLU A 42 3.604 -3.382 -9.216 1.00 0.00 H new ATOM 0 HA GLU A 42 2.020 -1.106 -10.182 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.469 -1.239 -10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.320 -2.697 -11.324 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.864 -1.278 -12.947 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.453 0.121 -12.070 1.00 0.00 H new ATOM 634 N SER A 43 0.676 -2.297 -12.039 1.00 0.00 N ATOM 635 CA SER A 43 -0.246 -2.957 -12.942 1.00 0.00 C ATOM 636 C SER A 43 0.541 -3.389 -14.189 1.00 0.00 C ATOM 637 O SER A 43 0.239 -2.912 -15.284 1.00 0.00 O ATOM 638 CB SER A 43 -1.398 -1.995 -13.279 1.00 0.00 C ATOM 639 OG SER A 43 -2.282 -2.599 -14.210 1.00 0.00 O ATOM 0 H SER A 43 0.580 -1.282 -12.043 1.00 0.00 H new ATOM 0 HA SER A 43 -0.689 -3.844 -12.490 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.939 -1.731 -12.370 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.999 -1.069 -13.693 1.00 0.00 H new ATOM 0 HG SER A 43 -1.785 -2.854 -15.015 1.00 0.00 H new ATOM 645 N GLN A 44 1.487 -4.322 -14.014 1.00 0.00 N ATOM 646 CA GLN A 44 2.390 -4.920 -14.994 1.00 0.00 C ATOM 647 C GLN A 44 1.841 -4.745 -16.405 1.00 0.00 C ATOM 648 O GLN A 44 0.877 -5.419 -16.784 1.00 0.00 O ATOM 649 CB GLN A 44 2.626 -6.393 -14.620 1.00 0.00 C ATOM 650 CG GLN A 44 3.643 -7.083 -15.537 1.00 0.00 C ATOM 651 CD GLN A 44 3.749 -8.585 -15.286 1.00 0.00 C ATOM 652 OE1 GLN A 44 2.901 -9.203 -14.637 1.00 0.00 O ATOM 653 NE2 GLN A 44 4.767 -9.202 -15.857 1.00 0.00 N ATOM 0 H GLN A 44 1.651 -4.713 -13.086 1.00 0.00 H new ATOM 0 HA GLN A 44 3.355 -4.413 -14.980 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.976 -6.450 -13.589 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.679 -6.931 -14.665 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.361 -6.913 -16.576 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.622 -6.626 -15.393 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.454 -8.668 -16.388 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.866 -10.213 -15.767 1.00 0.00 H new ATOM 662 N GLY A 45 2.401 -3.778 -17.125 1.00 0.00 N ATOM 663 CA GLY A 45 2.042 -3.399 -18.477 1.00 0.00 C ATOM 664 C GLY A 45 1.736 -1.903 -18.575 1.00 0.00 C ATOM 665 O GLY A 45 1.899 -1.337 -19.659 1.00 0.00 O ATOM 0 H GLY A 45 3.161 -3.208 -16.754 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.857 -3.650 -19.156 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.172 -3.972 -18.798 1.00 0.00 H new ATOM 669 N LYS A 46 1.290 -1.252 -17.493 1.00 0.00 N ATOM 670 CA LYS A 46 0.982 0.178 -17.461 1.00 0.00 C ATOM 671 C LYS A 46 1.370 0.771 -16.112 1.00 0.00 C ATOM 672 O LYS A 46 1.395 0.073 -15.096 1.00 0.00 O ATOM 673 CB LYS A 46 -0.504 0.456 -17.764 1.00 0.00 C ATOM 674 CG LYS A 46 -1.492 -0.163 -16.757 1.00 0.00 C ATOM 675 CD LYS A 46 -2.449 -1.163 -17.414 1.00 0.00 C ATOM 676 CE LYS A 46 -3.632 -0.516 -18.145 1.00 0.00 C ATOM 677 NZ LYS A 46 -4.583 0.150 -17.234 1.00 0.00 N ATOM 0 H LYS A 46 1.131 -1.717 -16.599 1.00 0.00 H new ATOM 0 HA LYS A 46 1.568 0.657 -18.245 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.660 1.534 -17.790 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.735 0.077 -18.759 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.934 -0.665 -15.967 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.070 0.631 -16.284 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.889 -1.773 -18.123 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.834 -1.837 -16.648 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.254 0.213 -18.861 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.160 -1.280 -18.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.431 0.433 -17.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.853 -0.506 -16.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.136 0.993 -16.821 1.00 0.00 H new ATOM 691 N GLN A 47 1.616 2.078 -16.120 1.00 0.00 N ATOM 692 CA GLN A 47 1.991 2.852 -14.956 1.00 0.00 C ATOM 693 C GLN A 47 0.738 3.179 -14.134 1.00 0.00 C ATOM 694 O GLN A 47 0.090 4.213 -14.314 1.00 0.00 O ATOM 695 CB GLN A 47 2.936 4.013 -15.314 1.00 0.00 C ATOM 696 CG GLN A 47 2.393 5.152 -16.165 1.00 0.00 C ATOM 697 CD GLN A 47 2.078 4.748 -17.599 1.00 0.00 C ATOM 698 OE1 GLN A 47 2.928 4.828 -18.480 1.00 0.00 O ATOM 699 NE2 GLN A 47 0.874 4.288 -17.889 1.00 0.00 N ATOM 0 H GLN A 47 1.556 2.640 -16.969 1.00 0.00 H new ATOM 0 HA GLN A 47 2.615 2.268 -14.280 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.304 4.441 -14.382 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.797 3.592 -15.833 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.488 5.542 -15.700 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.120 5.964 -16.177 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.165 4.220 -17.159 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.654 4.001 -18.843 1.00 0.00 H new ATOM 708 N GLU A 48 0.363 2.249 -13.264 1.00 0.00 N ATOM 709 CA GLU A 48 -0.761 2.285 -12.341 1.00 0.00 C ATOM 710 C GLU A 48 -0.341 1.412 -11.159 1.00 0.00 C ATOM 711 O GLU A 48 0.312 0.385 -11.367 1.00 0.00 O ATOM 712 CB GLU A 48 -2.009 1.736 -13.056 1.00 0.00 C ATOM 713 CG GLU A 48 -3.162 1.329 -12.123 1.00 0.00 C ATOM 714 CD GLU A 48 -4.363 0.846 -12.934 1.00 0.00 C ATOM 715 OE1 GLU A 48 -4.949 1.681 -13.665 1.00 0.00 O ATOM 716 OE2 GLU A 48 -4.718 -0.353 -12.877 1.00 0.00 O ATOM 0 H GLU A 48 0.884 1.376 -13.181 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.011 3.289 -11.998 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.373 2.492 -13.752 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.718 0.870 -13.650 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.830 0.540 -11.449 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.452 2.177 -11.503 1.00 0.00 H new ATOM 723 N TYR A 49 -0.694 1.801 -9.934 1.00 0.00 N ATOM 724 CA TYR A 49 -0.375 1.059 -8.725 1.00 0.00 C ATOM 725 C TYR A 49 -1.647 0.460 -8.133 1.00 0.00 C ATOM 726 O TYR A 49 -2.743 1.024 -8.218 1.00 0.00 O ATOM 727 CB TYR A 49 0.314 1.975 -7.713 1.00 0.00 C ATOM 728 CG TYR A 49 1.646 2.522 -8.172 1.00 0.00 C ATOM 729 CD1 TYR A 49 2.705 1.646 -8.483 1.00 0.00 C ATOM 730 CD2 TYR A 49 1.822 3.911 -8.289 1.00 0.00 C ATOM 731 CE1 TYR A 49 3.940 2.163 -8.905 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.058 4.430 -8.696 1.00 0.00 C ATOM 733 CZ TYR A 49 4.131 3.559 -8.988 1.00 0.00 C ATOM 734 OH TYR A 49 5.338 4.045 -9.377 1.00 0.00 O ATOM 0 H TYR A 49 -1.219 2.657 -9.756 1.00 0.00 H new ATOM 0 HA TYR A 49 0.308 0.246 -8.973 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.349 2.810 -7.486 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.462 1.424 -6.784 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.567 0.578 -8.397 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.004 4.579 -8.065 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.745 1.492 -9.166 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.191 5.498 -8.787 1.00 0.00 H new ATOM 0 HH TYR A 49 5.309 5.025 -9.385 1.00 0.00 H new ATOM 744 N VAL A 50 -1.476 -0.664 -7.446 1.00 0.00 N ATOM 745 CA VAL A 50 -2.542 -1.410 -6.810 1.00 0.00 C ATOM 746 C VAL A 50 -2.104 -1.743 -5.390 1.00 0.00 C ATOM 747 O VAL A 50 -1.102 -2.434 -5.197 1.00 0.00 O ATOM 748 CB VAL A 50 -2.830 -2.672 -7.645 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.903 -3.537 -6.976 1.00 0.00 C ATOM 750 CG2 VAL A 50 -3.246 -2.341 -9.083 1.00 0.00 C ATOM 0 H VAL A 50 -0.559 -1.090 -7.315 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.465 -0.833 -6.756 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.896 -3.232 -7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.089 -4.422 -7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.560 -3.842 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.825 -2.963 -6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.437 -3.265 -9.628 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.151 -1.734 -9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.446 -1.788 -9.575 1.00 0.00 H new ATOM 760 N LEU A 51 -2.815 -1.197 -4.406 1.00 0.00 N ATOM 761 CA LEU A 51 -2.578 -1.419 -2.991 1.00 0.00 C ATOM 762 C LEU A 51 -3.267 -2.746 -2.689 1.00 0.00 C ATOM 763 O LEU A 51 -4.500 -2.826 -2.677 1.00 0.00 O ATOM 764 CB LEU A 51 -3.194 -0.274 -2.174 1.00 0.00 C ATOM 765 CG LEU A 51 -2.893 -0.349 -0.670 1.00 0.00 C ATOM 766 CD1 LEU A 51 -1.427 -0.035 -0.354 1.00 0.00 C ATOM 767 CD2 LEU A 51 -3.796 0.634 0.082 1.00 0.00 C ATOM 0 H LEU A 51 -3.597 -0.567 -4.583 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.519 -1.449 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.824 0.675 -2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.274 -0.278 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.089 -1.372 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.264 -0.101 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.783 -0.752 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.189 0.972 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.582 0.581 1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.609 1.647 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.840 0.375 -0.092 1.00 0.00 H new ATOM 779 N SER A 52 -2.504 -3.826 -2.585 1.00 0.00 N ATOM 780 CA SER A 52 -3.061 -5.132 -2.292 1.00 0.00 C ATOM 781 C SER A 52 -3.031 -5.285 -0.771 1.00 0.00 C ATOM 782 O SER A 52 -1.953 -5.165 -0.192 1.00 0.00 O ATOM 783 CB SER A 52 -2.218 -6.216 -2.979 1.00 0.00 C ATOM 784 OG SER A 52 -3.026 -7.287 -3.409 1.00 0.00 O ATOM 0 H SER A 52 -1.491 -3.818 -2.701 1.00 0.00 H new ATOM 0 HA SER A 52 -4.081 -5.234 -2.662 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.693 -5.787 -3.832 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.459 -6.583 -2.289 1.00 0.00 H new ATOM 0 HG SER A 52 -3.692 -6.958 -4.048 1.00 0.00 H new ATOM 790 N VAL A 53 -4.166 -5.495 -0.100 1.00 0.00 N ATOM 791 CA VAL A 53 -4.171 -5.702 1.356 1.00 0.00 C ATOM 792 C VAL A 53 -5.120 -6.844 1.699 1.00 0.00 C ATOM 793 O VAL A 53 -6.097 -7.054 0.984 1.00 0.00 O ATOM 794 CB VAL A 53 -4.419 -4.434 2.202 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.134 -3.095 1.549 1.00 0.00 C ATOM 796 CG2 VAL A 53 -5.782 -4.282 2.817 1.00 0.00 C ATOM 0 H VAL A 53 -5.088 -5.527 -0.535 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.155 -5.979 1.639 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.671 -4.652 2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.351 -2.293 2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.085 -3.048 1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.761 -2.980 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.824 -3.352 3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.536 -4.262 2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.976 -5.122 3.484 1.00 0.00 H new ATOM 806 N LEU A 54 -4.886 -7.568 2.795 1.00 0.00 N ATOM 807 CA LEU A 54 -5.737 -8.677 3.234 1.00 0.00 C ATOM 808 C LEU A 54 -6.536 -8.235 4.447 1.00 0.00 C ATOM 809 O LEU A 54 -6.012 -7.493 5.281 1.00 0.00 O ATOM 810 CB LEU A 54 -4.860 -9.894 3.540 1.00 0.00 C ATOM 811 CG LEU A 54 -5.594 -11.118 4.122 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.675 -11.662 3.179 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.551 -12.204 4.361 1.00 0.00 C ATOM 0 H LEU A 54 -4.091 -7.399 3.411 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.440 -8.961 2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.358 -10.197 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.083 -9.592 4.242 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.096 -10.818 5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.159 -12.523 3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.417 -10.886 2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.218 -11.964 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.035 -13.089 4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.070 -12.461 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.801 -11.840 5.063 1.00 0.00 H new ATOM 825 N TRP A 55 -7.793 -8.669 4.550 1.00 0.00 N ATOM 826 CA TRP A 55 -8.646 -8.317 5.671 1.00 0.00 C ATOM 827 C TRP A 55 -9.528 -9.468 6.100 1.00 0.00 C ATOM 828 O TRP A 55 -9.380 -9.959 7.214 1.00 0.00 O ATOM 829 CB TRP A 55 -9.505 -7.106 5.326 1.00 0.00 C ATOM 830 CG TRP A 55 -10.154 -6.482 6.515 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.474 -6.486 6.801 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.506 -5.775 7.610 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.690 -5.816 7.987 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.509 -5.362 8.535 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.169 -5.421 7.892 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.190 -4.663 9.709 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -7.845 -4.733 9.074 1.00 0.00 C ATOM 838 CH2 TRP A 55 -8.848 -4.356 9.983 1.00 0.00 C ATOM 0 H TRP A 55 -8.241 -9.271 3.859 1.00 0.00 H new ATOM 0 HA TRP A 55 -7.991 -8.072 6.507 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.886 -6.361 4.827 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.276 -7.407 4.617 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.242 -6.943 6.195 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.609 -5.674 8.406 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.388 -5.681 7.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.969 -4.364 10.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.814 -4.491 9.286 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.587 -3.831 10.890 1.00 0.00 H new ATOM 849 N ASP A 56 -10.382 -9.944 5.196 1.00 0.00 N ATOM 850 CA ASP A 56 -11.318 -11.017 5.480 1.00 0.00 C ATOM 851 C ASP A 56 -11.218 -12.116 4.432 1.00 0.00 C ATOM 852 O ASP A 56 -11.951 -12.099 3.441 1.00 0.00 O ATOM 853 CB ASP A 56 -12.718 -10.401 5.577 1.00 0.00 C ATOM 854 CG ASP A 56 -13.797 -11.435 5.874 1.00 0.00 C ATOM 855 OD1 ASP A 56 -13.525 -12.354 6.679 1.00 0.00 O ATOM 856 OD2 ASP A 56 -14.935 -11.248 5.388 1.00 0.00 O ATOM 0 H ASP A 56 -10.440 -9.590 4.241 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.083 -11.501 6.428 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.723 -9.642 6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.953 -9.895 4.641 1.00 0.00 H new ATOM 861 N GLY A 57 -10.229 -13.001 4.605 1.00 0.00 N ATOM 862 CA GLY A 57 -9.941 -14.158 3.758 1.00 0.00 C ATOM 863 C GLY A 57 -9.791 -13.940 2.253 1.00 0.00 C ATOM 864 O GLY A 57 -9.778 -14.921 1.509 1.00 0.00 O ATOM 0 H GLY A 57 -9.574 -12.922 5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.019 -14.613 4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.737 -14.887 3.910 1.00 0.00 H new ATOM 868 N LEU A 58 -9.698 -12.695 1.791 1.00 0.00 N ATOM 869 CA LEU A 58 -9.565 -12.325 0.393 1.00 0.00 C ATOM 870 C LEU A 58 -8.674 -11.091 0.335 1.00 0.00 C ATOM 871 O LEU A 58 -9.072 -10.071 0.909 1.00 0.00 O ATOM 872 CB LEU A 58 -10.958 -12.011 -0.186 1.00 0.00 C ATOM 873 CG LEU A 58 -11.063 -11.800 -1.713 1.00 0.00 C ATOM 874 CD1 LEU A 58 -10.348 -10.550 -2.237 1.00 0.00 C ATOM 875 CD2 LEU A 58 -10.600 -13.008 -2.529 1.00 0.00 C ATOM 0 H LEU A 58 -9.714 -11.885 2.411 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.127 -13.134 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.628 -12.826 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.332 -11.112 0.305 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.134 -11.658 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.475 -10.484 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.773 -9.663 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.286 -10.612 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.701 -12.789 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.556 -13.223 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.212 -13.874 -2.277 1.00 0.00 H new ATOM 887 N PRO A 59 -7.499 -11.143 -0.307 1.00 0.00 N ATOM 888 CA PRO A 59 -6.611 -10.003 -0.434 1.00 0.00 C ATOM 889 C PRO A 59 -7.214 -9.003 -1.427 1.00 0.00 C ATOM 890 O PRO A 59 -7.098 -9.152 -2.645 1.00 0.00 O ATOM 891 CB PRO A 59 -5.277 -10.585 -0.880 1.00 0.00 C ATOM 892 CG PRO A 59 -5.697 -11.788 -1.716 1.00 0.00 C ATOM 893 CD PRO A 59 -6.934 -12.294 -0.989 1.00 0.00 C ATOM 0 HA PRO A 59 -6.471 -9.444 0.491 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -4.698 -9.869 -1.463 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.659 -10.878 -0.031 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.920 -11.506 -2.745 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.914 -12.545 -1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -7.650 -12.722 -1.690 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.675 -13.079 -0.279 1.00 0.00 H new ATOM 901 N ARG A 60 -7.941 -8.022 -0.901 1.00 0.00 N ATOM 902 CA ARG A 60 -8.595 -6.966 -1.654 1.00 0.00 C ATOM 903 C ARG A 60 -7.529 -6.203 -2.448 1.00 0.00 C ATOM 904 O ARG A 60 -6.398 -6.023 -1.988 1.00 0.00 O ATOM 905 CB ARG A 60 -9.353 -6.065 -0.668 1.00 0.00 C ATOM 906 CG ARG A 60 -10.444 -6.764 0.169 1.00 0.00 C ATOM 907 CD ARG A 60 -11.651 -7.195 -0.669 1.00 0.00 C ATOM 908 NE ARG A 60 -12.514 -8.124 0.079 1.00 0.00 N ATOM 909 CZ ARG A 60 -13.314 -9.061 -0.442 1.00 0.00 C ATOM 910 NH1 ARG A 60 -13.482 -9.181 -1.758 1.00 0.00 N ATOM 911 NH2 ARG A 60 -13.957 -9.894 0.355 1.00 0.00 N ATOM 0 H ARG A 60 -8.095 -7.941 0.104 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.318 -7.363 -2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.631 -5.614 0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.815 -5.252 -1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.016 -7.639 0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.778 -6.090 0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.226 -6.317 -0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.308 -7.672 -1.587 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.501 -8.045 1.096 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.995 -8.550 -2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.098 -9.904 -2.130 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.843 -9.822 1.366 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.567 -10.609 -0.040 1.00 0.00 H new ATOM 925 N HIS A 61 -7.882 -5.768 -3.654 1.00 0.00 N ATOM 926 CA HIS A 61 -7.006 -5.034 -4.553 1.00 0.00 C ATOM 927 C HIS A 61 -7.614 -3.653 -4.740 1.00 0.00 C ATOM 928 O HIS A 61 -8.635 -3.510 -5.420 1.00 0.00 O ATOM 929 CB HIS A 61 -6.879 -5.769 -5.893 1.00 0.00 C ATOM 930 CG HIS A 61 -6.224 -7.126 -5.821 1.00 0.00 C ATOM 931 ND1 HIS A 61 -4.917 -7.393 -5.484 1.00 0.00 N ATOM 932 CD2 HIS A 61 -6.820 -8.318 -6.124 1.00 0.00 C ATOM 933 CE1 HIS A 61 -4.727 -8.716 -5.586 1.00 0.00 C ATOM 934 NE2 HIS A 61 -5.842 -9.320 -6.037 1.00 0.00 N ATOM 0 H HIS A 61 -8.813 -5.922 -4.041 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.001 -4.951 -4.139 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.875 -5.886 -6.321 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.308 -5.144 -6.580 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.858 -8.463 -6.384 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -3.807 -9.226 -5.340 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -5.953 -10.307 -6.269 1.00 0.00 H new ATOM 942 N PHE A 62 -7.038 -2.641 -4.103 1.00 0.00 N ATOM 943 CA PHE A 62 -7.511 -1.277 -4.207 1.00 0.00 C ATOM 944 C PHE A 62 -6.669 -0.579 -5.266 1.00 0.00 C ATOM 945 O PHE A 62 -5.460 -0.418 -5.091 1.00 0.00 O ATOM 946 CB PHE A 62 -7.430 -0.584 -2.850 1.00 0.00 C ATOM 947 CG PHE A 62 -8.234 -1.254 -1.757 1.00 0.00 C ATOM 948 CD1 PHE A 62 -7.671 -2.311 -1.019 1.00 0.00 C ATOM 949 CD2 PHE A 62 -9.544 -0.825 -1.480 1.00 0.00 C ATOM 950 CE1 PHE A 62 -8.426 -2.944 -0.021 1.00 0.00 C ATOM 951 CE2 PHE A 62 -10.304 -1.484 -0.496 1.00 0.00 C ATOM 952 CZ PHE A 62 -9.750 -2.554 0.225 1.00 0.00 C ATOM 0 H PHE A 62 -6.225 -2.750 -3.497 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.559 -1.244 -4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.386 -0.539 -2.540 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.775 0.444 -2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.660 -2.634 -1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.966 0.009 -2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.984 -3.738 0.563 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -11.316 -1.166 -0.295 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.341 -3.074 0.965 1.00 0.00 H new ATOM 962 N ILE A 63 -7.273 -0.275 -6.412 1.00 0.00 N ATOM 963 CA ILE A 63 -6.601 0.416 -7.506 1.00 0.00 C ATOM 964 C ILE A 63 -6.383 1.821 -6.963 1.00 0.00 C ATOM 965 O ILE A 63 -7.368 2.509 -6.662 1.00 0.00 O ATOM 966 CB ILE A 63 -7.456 0.388 -8.794 1.00 0.00 C ATOM 967 CG1 ILE A 63 -7.654 -1.080 -9.237 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.781 1.228 -9.898 1.00 0.00 C ATOM 969 CD1 ILE A 63 -8.551 -1.256 -10.466 1.00 0.00 C ATOM 0 H ILE A 63 -8.248 -0.503 -6.608 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.661 -0.050 -7.802 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.435 0.827 -8.602 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.678 -1.517 -9.449 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.082 -1.642 -8.407 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.392 1.201 -10.800 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.679 2.259 -9.560 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.795 0.818 -10.115 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.635 -2.316 -10.706 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.541 -0.852 -10.255 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.116 -0.725 -11.313 1.00 0.00 H new ATOM 981 N ILE A 64 -5.125 2.213 -6.766 1.00 0.00 N ATOM 982 CA ILE A 64 -4.798 3.527 -6.237 1.00 0.00 C ATOM 983 C ILE A 64 -5.352 4.563 -7.222 1.00 0.00 C ATOM 984 O ILE A 64 -5.099 4.477 -8.431 1.00 0.00 O ATOM 985 CB ILE A 64 -3.284 3.658 -5.933 1.00 0.00 C ATOM 986 CG1 ILE A 64 -2.820 2.489 -5.023 1.00 0.00 C ATOM 987 CG2 ILE A 64 -2.989 5.006 -5.250 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.394 2.607 -4.467 1.00 0.00 C ATOM 0 H ILE A 64 -4.313 1.630 -6.968 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.265 3.699 -5.267 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.735 3.615 -6.874 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.512 2.408 -4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.895 1.560 -5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.922 5.083 -5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.291 5.821 -5.908 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.546 5.070 -4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.173 1.739 -3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.684 2.652 -5.293 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.311 3.513 -3.867 1.00 0.00 H new ATOM 1000 N GLN A 65 -6.209 5.449 -6.714 1.00 0.00 N ATOM 1001 CA GLN A 65 -6.854 6.524 -7.447 1.00 0.00 C ATOM 1002 C GLN A 65 -6.007 7.783 -7.289 1.00 0.00 C ATOM 1003 O GLN A 65 -5.454 8.031 -6.215 1.00 0.00 O ATOM 1004 CB GLN A 65 -8.265 6.784 -6.889 1.00 0.00 C ATOM 1005 CG GLN A 65 -9.190 5.562 -6.930 1.00 0.00 C ATOM 1006 CD GLN A 65 -9.416 5.091 -8.361 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -10.159 5.711 -9.116 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -8.796 4.005 -8.784 1.00 0.00 N ATOM 0 H GLN A 65 -6.482 5.430 -5.731 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.944 6.249 -8.498 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.179 7.126 -5.858 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.725 7.593 -7.456 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.755 4.753 -6.342 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.147 5.811 -6.471 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.179 3.492 -8.154 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.934 3.679 -9.741 1.00 0.00 H new ATOM 1017 N SER A 66 -5.933 8.575 -8.350 1.00 0.00 N ATOM 1018 CA SER A 66 -5.206 9.825 -8.451 1.00 0.00 C ATOM 1019 C SER A 66 -6.070 10.710 -9.328 1.00 0.00 C ATOM 1020 O SER A 66 -6.366 10.355 -10.472 1.00 0.00 O ATOM 1021 CB SER A 66 -3.829 9.622 -9.080 1.00 0.00 C ATOM 1022 OG SER A 66 -3.110 10.835 -8.991 1.00 0.00 O ATOM 0 H SER A 66 -6.413 8.342 -9.219 1.00 0.00 H new ATOM 0 HA SER A 66 -5.025 10.264 -7.470 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.292 8.825 -8.566 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.930 9.318 -10.122 1.00 0.00 H new ATOM 0 HG SER A 66 -2.222 10.719 -9.390 1.00 0.00 H new ATOM 1028 N LEU A 67 -6.518 11.834 -8.782 1.00 0.00 N ATOM 1029 CA LEU A 67 -7.374 12.775 -9.497 1.00 0.00 C ATOM 1030 C LEU A 67 -6.567 14.027 -9.792 1.00 0.00 C ATOM 1031 O LEU A 67 -6.147 14.250 -10.929 1.00 0.00 O ATOM 1032 CB LEU A 67 -8.631 13.046 -8.658 1.00 0.00 C ATOM 1033 CG LEU A 67 -9.900 12.322 -9.123 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -9.714 10.802 -9.145 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -11.047 12.715 -8.187 1.00 0.00 C ATOM 0 H LEU A 67 -6.298 12.120 -7.828 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.713 12.371 -10.451 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.427 12.760 -7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.824 14.119 -8.659 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.128 12.622 -10.146 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.636 10.327 -9.480 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.904 10.544 -9.828 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.469 10.451 -8.143 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.961 12.210 -8.500 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.801 12.421 -7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -11.196 13.794 -8.227 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.361 14.862 -8.783 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.605 16.104 -8.837 1.00 0.00 C ATOM 1049 C ASP A 68 -4.156 15.836 -8.415 1.00 0.00 C ATOM 1050 O ASP A 68 -3.487 16.665 -7.811 1.00 0.00 O ATOM 1051 CB ASP A 68 -6.283 17.178 -7.978 1.00 0.00 C ATOM 1052 CG ASP A 68 -5.628 18.540 -8.205 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -5.170 18.820 -9.339 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -5.577 19.347 -7.251 1.00 0.00 O ATOM 0 H ASP A 68 -6.738 14.680 -7.853 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.586 16.487 -9.857 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.343 17.233 -8.224 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.214 16.906 -6.925 1.00 0.00 H new ATOM 1059 N ASN A 69 -3.684 14.625 -8.718 1.00 0.00 N ATOM 1060 CA ASN A 69 -2.365 14.063 -8.449 1.00 0.00 C ATOM 1061 C ASN A 69 -2.214 13.584 -7.010 1.00 0.00 C ATOM 1062 O ASN A 69 -1.221 12.926 -6.704 1.00 0.00 O ATOM 1063 CB ASN A 69 -1.212 14.981 -8.893 1.00 0.00 C ATOM 1064 CG ASN A 69 -1.373 15.438 -10.334 1.00 0.00 C ATOM 1065 OD1 ASN A 69 -1.658 14.633 -11.220 1.00 0.00 O ATOM 1066 ND2 ASN A 69 -1.257 16.723 -10.597 1.00 0.00 N ATOM 0 H ASN A 69 -4.275 13.951 -9.205 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.290 13.175 -9.076 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.169 15.852 -8.239 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.265 14.453 -8.783 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.404 17.064 -11.547 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.020 17.377 -9.851 1.00 0.00 H new ATOM 1073 N LEU A 70 -3.180 13.880 -6.136 1.00 0.00 N ATOM 1074 CA LEU A 70 -3.157 13.470 -4.744 1.00 0.00 C ATOM 1075 C LEU A 70 -3.848 12.116 -4.664 1.00 0.00 C ATOM 1076 O LEU A 70 -4.994 11.973 -5.100 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.810 14.515 -3.827 1.00 0.00 C ATOM 1078 CG LEU A 70 -2.829 15.646 -3.470 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -2.528 16.586 -4.639 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.353 16.471 -2.303 1.00 0.00 C ATOM 0 H LEU A 70 -4.009 14.419 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.130 13.386 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.687 14.935 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.158 14.032 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.899 15.147 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.830 17.358 -4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.086 16.018 -5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.453 17.052 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.642 17.264 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.313 16.912 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.479 15.829 -1.431 1.00 0.00 H new ATOM 1092 N TYR A 71 -3.146 11.117 -4.143 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.688 9.773 -4.036 1.00 0.00 C ATOM 1094 C TYR A 71 -4.546 9.646 -2.780 1.00 0.00 C ATOM 1095 O TYR A 71 -4.128 10.100 -1.712 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.550 8.746 -3.986 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.563 8.815 -5.133 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.877 8.230 -6.371 1.00 0.00 C ATOM 1099 CD2 TYR A 71 -0.313 9.431 -4.958 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.942 8.239 -7.419 1.00 0.00 C ATOM 1101 CE2 TYR A 71 0.607 9.487 -6.014 1.00 0.00 C ATOM 1102 CZ TYR A 71 0.304 8.876 -7.250 1.00 0.00 C ATOM 1103 OH TYR A 71 1.241 8.814 -8.236 1.00 0.00 O ATOM 0 H TYR A 71 -2.195 11.216 -3.787 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.307 9.580 -4.912 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -2.005 8.878 -3.051 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.985 7.747 -3.963 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.843 7.771 -6.518 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.059 9.865 -4.002 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.178 7.757 -8.356 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.549 9.998 -5.882 1.00 0.00 H new ATOM 0 HH TYR A 71 2.041 9.307 -7.958 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.721 9.017 -2.882 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.682 8.777 -1.787 1.00 0.00 C ATOM 1115 C ARG A 72 -7.718 7.756 -2.231 1.00 0.00 C ATOM 1116 O ARG A 72 -7.754 7.422 -3.413 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.403 10.075 -1.389 1.00 0.00 C ATOM 1118 CG ARG A 72 -8.300 10.670 -2.483 1.00 0.00 C ATOM 1119 CD ARG A 72 -9.779 10.240 -2.394 1.00 0.00 C ATOM 1120 NE ARG A 72 -10.621 11.013 -3.316 1.00 0.00 N ATOM 1121 CZ ARG A 72 -10.906 12.315 -3.207 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -10.533 13.015 -2.142 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -11.586 12.938 -4.156 1.00 0.00 N ATOM 0 H ARG A 72 -6.049 8.641 -3.772 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.127 8.404 -0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.011 9.881 -0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.657 10.817 -1.106 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.246 11.757 -2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.907 10.379 -3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.865 9.178 -2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.137 10.374 -1.373 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.024 10.513 -4.109 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.019 12.560 -1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.760 14.007 -2.079 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.898 12.425 -4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.798 13.931 -4.063 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.575 7.302 -1.320 1.00 0.00 N ATOM 1138 CA LEU A 73 -9.642 6.343 -1.590 1.00 0.00 C ATOM 1139 C LEU A 73 -10.951 6.759 -0.923 1.00 0.00 C ATOM 1140 O LEU A 73 -12.003 6.432 -1.463 1.00 0.00 O ATOM 1141 CB LEU A 73 -9.282 4.916 -1.131 1.00 0.00 C ATOM 1142 CG LEU A 73 -8.066 4.320 -1.861 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -6.765 4.524 -1.066 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -8.240 2.829 -2.116 1.00 0.00 C ATOM 0 H LEU A 73 -8.545 7.600 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.768 6.339 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.081 4.928 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.143 4.266 -1.287 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.998 4.850 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.931 4.089 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.589 5.590 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.852 4.038 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.361 2.443 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.359 2.309 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.124 2.666 -2.732 1.00 0.00 H new ATOM 1156 N GLU A 74 -10.933 7.518 0.177 1.00 0.00 N ATOM 1157 CA GLU A 74 -12.155 7.933 0.878 1.00 0.00 C ATOM 1158 C GLU A 74 -12.195 9.442 1.131 1.00 0.00 C ATOM 1159 O GLU A 74 -13.210 10.063 0.807 1.00 0.00 O ATOM 1160 CB GLU A 74 -12.298 7.127 2.185 1.00 0.00 C ATOM 1161 CG GLU A 74 -13.026 5.781 2.030 1.00 0.00 C ATOM 1162 CD GLU A 74 -14.558 5.845 2.129 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -15.181 6.891 1.841 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -15.176 4.814 2.499 1.00 0.00 O ATOM 0 H GLU A 74 -10.074 7.862 0.607 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.009 7.717 0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.304 6.943 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.835 7.734 2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.759 5.352 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.658 5.098 2.795 1.00 0.00 H new ATOM 1171 N GLY A 75 -11.116 10.065 1.622 1.00 0.00 N ATOM 1172 CA GLY A 75 -11.096 11.498 1.906 1.00 0.00 C ATOM 1173 C GLY A 75 -9.805 12.174 1.462 1.00 0.00 C ATOM 1174 O GLY A 75 -9.475 12.089 0.280 1.00 0.00 O ATOM 0 H GLY A 75 -10.238 9.589 1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.940 11.974 1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.231 11.653 2.976 1.00 0.00 H new ATOM 1178 N GLU A 76 -9.105 12.844 2.387 1.00 0.00 N ATOM 1179 CA GLU A 76 -7.850 13.563 2.149 1.00 0.00 C ATOM 1180 C GLU A 76 -6.848 12.711 1.373 1.00 0.00 C ATOM 1181 O GLU A 76 -6.754 11.495 1.585 1.00 0.00 O ATOM 1182 CB GLU A 76 -7.176 13.973 3.475 1.00 0.00 C ATOM 1183 CG GLU A 76 -7.868 15.128 4.212 1.00 0.00 C ATOM 1184 CD GLU A 76 -7.044 15.603 5.418 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -6.722 14.795 6.328 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -6.766 16.821 5.526 1.00 0.00 O ATOM 0 H GLU A 76 -9.411 12.901 3.358 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.117 14.446 1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.144 13.106 4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.144 14.256 3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.020 15.960 3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.854 14.807 4.548 1.00 0.00 H new ATOM 1193 N GLY A 77 -6.079 13.358 0.498 1.00 0.00 N ATOM 1194 CA GLY A 77 -5.064 12.719 -0.308 1.00 0.00 C ATOM 1195 C GLY A 77 -3.724 13.388 -0.077 1.00 0.00 C ATOM 1196 O GLY A 77 -3.633 14.457 0.537 1.00 0.00 O ATOM 0 H GLY A 77 -6.153 14.362 0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.000 11.661 -0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.333 12.779 -1.362 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.672 12.757 -0.590 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.305 13.239 -0.471 1.00 0.00 C ATOM 1202 C PHE A 78 -0.622 13.187 -1.829 1.00 0.00 C ATOM 1203 O PHE A 78 -0.998 12.355 -2.657 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.513 12.388 0.522 1.00 0.00 C ATOM 1205 CG PHE A 78 -0.807 12.654 1.983 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -1.991 12.172 2.564 1.00 0.00 C ATOM 1207 CD2 PHE A 78 0.115 13.360 2.777 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.244 12.376 3.930 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.121 13.540 4.149 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.305 13.052 4.729 1.00 0.00 C ATOM 0 H PHE A 78 -2.750 11.882 -1.108 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.335 14.267 -0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.713 11.337 0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.550 12.551 0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.710 11.642 1.957 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.010 13.766 2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.162 12.013 4.368 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.607 14.054 4.759 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.492 13.196 5.783 1.00 0.00 H new ATOM 1220 N PRO A 79 0.421 14.005 -2.044 1.00 0.00 N ATOM 1221 CA PRO A 79 1.166 14.066 -3.301 1.00 0.00 C ATOM 1222 C PRO A 79 1.928 12.781 -3.636 1.00 0.00 C ATOM 1223 O PRO A 79 2.546 12.689 -4.699 1.00 0.00 O ATOM 1224 CB PRO A 79 2.168 15.214 -3.092 1.00 0.00 C ATOM 1225 CG PRO A 79 2.357 15.284 -1.583 1.00 0.00 C ATOM 1226 CD PRO A 79 0.936 15.005 -1.111 1.00 0.00 C ATOM 0 HA PRO A 79 0.479 14.211 -4.135 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.111 15.016 -3.601 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.783 16.154 -3.488 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.068 14.542 -1.220 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.719 16.259 -1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.926 14.632 -0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.329 15.910 -1.127 1.00 0.00 H new ATOM 1234 N SER A 80 1.936 11.793 -2.739 1.00 0.00 N ATOM 1235 CA SER A 80 2.665 10.551 -2.944 1.00 0.00 C ATOM 1236 C SER A 80 1.966 9.367 -2.279 1.00 0.00 C ATOM 1237 O SER A 80 1.197 9.557 -1.335 1.00 0.00 O ATOM 1238 CB SER A 80 4.037 10.766 -2.303 1.00 0.00 C ATOM 1239 OG SER A 80 4.677 11.949 -2.746 1.00 0.00 O ATOM 0 H SER A 80 1.435 11.837 -1.851 1.00 0.00 H new ATOM 0 HA SER A 80 2.731 10.317 -4.007 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.923 10.805 -1.220 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.674 9.910 -2.526 1.00 0.00 H new ATOM 0 HG SER A 80 5.547 12.036 -2.303 1.00 0.00 H new ATOM 1245 N ILE A 81 2.249 8.143 -2.739 1.00 0.00 N ATOM 1246 CA ILE A 81 1.657 6.942 -2.173 1.00 0.00 C ATOM 1247 C ILE A 81 2.138 6.734 -0.726 1.00 0.00 C ATOM 1248 O ILE A 81 1.268 6.582 0.132 1.00 0.00 O ATOM 1249 CB ILE A 81 1.908 5.681 -3.043 1.00 0.00 C ATOM 1250 CG1 ILE A 81 1.114 5.717 -4.365 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.514 4.363 -2.340 1.00 0.00 C ATOM 1252 CD1 ILE A 81 1.793 6.512 -5.462 1.00 0.00 C ATOM 0 H ILE A 81 2.892 7.965 -3.510 1.00 0.00 H new ATOM 0 HA ILE A 81 0.577 7.091 -2.161 1.00 0.00 H new ATOM 0 HB ILE A 81 2.982 5.701 -3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.957 4.696 -4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.129 6.144 -4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.715 3.522 -3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.096 4.251 -1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.452 4.385 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.176 6.492 -6.361 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.925 7.543 -5.135 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.766 6.073 -5.680 1.00 0.00 H new ATOM 1264 N PRO A 82 3.462 6.734 -0.412 1.00 0.00 N ATOM 1265 CA PRO A 82 3.922 6.509 0.960 1.00 0.00 C ATOM 1266 C PRO A 82 3.329 7.532 1.926 1.00 0.00 C ATOM 1267 O PRO A 82 2.867 7.161 3.001 1.00 0.00 O ATOM 1268 CB PRO A 82 5.457 6.521 0.933 1.00 0.00 C ATOM 1269 CG PRO A 82 5.819 7.183 -0.391 1.00 0.00 C ATOM 1270 CD PRO A 82 4.617 6.907 -1.293 1.00 0.00 C ATOM 0 HA PRO A 82 3.577 5.545 1.333 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.863 7.078 1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.861 5.511 0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.986 8.253 -0.268 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.734 6.763 -0.808 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.455 7.733 -1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.782 6.013 -1.895 1.00 0.00 H new ATOM 1278 N LEU A 83 3.278 8.799 1.506 1.00 0.00 N ATOM 1279 CA LEU A 83 2.737 9.920 2.266 1.00 0.00 C ATOM 1280 C LEU A 83 1.319 9.586 2.764 1.00 0.00 C ATOM 1281 O LEU A 83 1.021 9.772 3.945 1.00 0.00 O ATOM 1282 CB LEU A 83 2.747 11.176 1.376 1.00 0.00 C ATOM 1283 CG LEU A 83 4.037 12.017 1.254 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.255 12.842 2.528 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.332 11.228 1.014 1.00 0.00 C ATOM 0 H LEU A 83 3.628 9.079 0.590 1.00 0.00 H new ATOM 0 HA LEU A 83 3.353 10.112 3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.465 10.865 0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.960 11.838 1.738 1.00 0.00 H new ATOM 0 HG LEU A 83 3.860 12.628 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.167 13.430 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.407 13.510 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.346 12.173 3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.172 11.919 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.497 10.539 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.248 10.665 0.084 1.00 0.00 H new ATOM 1297 N LEU A 84 0.449 9.094 1.871 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.929 8.719 2.194 1.00 0.00 C ATOM 1299 C LEU A 84 -0.951 7.462 3.057 1.00 0.00 C ATOM 1300 O LEU A 84 -1.665 7.429 4.052 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.732 8.523 0.891 1.00 0.00 C ATOM 1302 CG LEU A 84 -3.213 8.098 0.991 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -3.421 6.590 1.185 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -4.044 8.919 1.978 1.00 0.00 C ATOM 0 H LEU A 84 0.689 8.944 0.891 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.396 9.519 2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.694 9.460 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.213 7.775 0.292 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.605 8.337 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.488 6.375 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.990 6.052 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.933 6.271 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.070 8.552 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.620 8.825 2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.035 9.967 1.678 1.00 0.00 H new ATOM 1316 N ILE A 85 -0.216 6.415 2.681 1.00 0.00 N ATOM 1317 CA ILE A 85 -0.155 5.154 3.421 1.00 0.00 C ATOM 1318 C ILE A 85 0.207 5.436 4.880 1.00 0.00 C ATOM 1319 O ILE A 85 -0.427 4.860 5.760 1.00 0.00 O ATOM 1320 CB ILE A 85 0.803 4.178 2.676 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.065 3.205 1.729 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.693 3.317 3.588 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.964 3.853 0.800 1.00 0.00 C ATOM 0 H ILE A 85 0.363 6.419 1.841 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.122 4.653 3.457 1.00 0.00 H new ATOM 0 HB ILE A 85 1.433 4.868 2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.805 2.686 1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.439 2.449 2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.323 2.671 2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.322 3.964 4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.066 2.704 4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.425 3.087 0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.732 4.347 1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.469 4.587 0.165 1.00 0.00 H new ATOM 1335 N ASP A 86 1.165 6.328 5.143 1.00 0.00 N ATOM 1336 CA ASP A 86 1.577 6.684 6.499 1.00 0.00 C ATOM 1337 C ASP A 86 0.419 7.323 7.250 1.00 0.00 C ATOM 1338 O ASP A 86 0.233 7.025 8.425 1.00 0.00 O ATOM 1339 CB ASP A 86 2.781 7.626 6.475 1.00 0.00 C ATOM 1340 CG ASP A 86 3.194 8.111 7.873 1.00 0.00 C ATOM 1341 OD1 ASP A 86 3.466 7.265 8.764 1.00 0.00 O ATOM 1342 OD2 ASP A 86 3.361 9.341 8.040 1.00 0.00 O ATOM 0 H ASP A 86 1.678 6.825 4.415 1.00 0.00 H new ATOM 0 HA ASP A 86 1.872 5.771 7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.625 7.116 6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.547 8.489 5.852 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.377 8.171 6.588 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.515 8.810 7.229 1.00 0.00 C ATOM 1349 C HIS A 87 -2.506 7.737 7.687 1.00 0.00 C ATOM 1350 O HIS A 87 -2.949 7.770 8.836 1.00 0.00 O ATOM 1351 CB HIS A 87 -2.164 9.827 6.280 1.00 0.00 C ATOM 1352 CG HIS A 87 -3.449 10.415 6.805 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -3.563 11.310 7.841 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.712 10.168 6.336 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -4.863 11.598 7.997 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -5.604 10.924 7.102 1.00 0.00 N ATOM 0 H HIS A 87 -0.248 8.426 5.609 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.182 9.363 8.108 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.457 10.634 6.089 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.361 9.343 5.323 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -2.794 11.689 8.394 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.972 9.508 5.521 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.259 12.277 8.738 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.853 6.770 6.828 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.806 5.707 7.184 1.00 0.00 C ATOM 1366 C LEU A 88 -3.242 4.834 8.281 1.00 0.00 C ATOM 1367 O LEU A 88 -3.963 4.459 9.194 1.00 0.00 O ATOM 1368 CB LEU A 88 -4.174 4.799 5.999 1.00 0.00 C ATOM 1369 CG LEU A 88 -5.317 5.388 5.167 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.855 6.668 4.495 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.761 4.387 4.094 1.00 0.00 C ATOM 0 H LEU A 88 -2.487 6.701 5.878 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.708 6.222 7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.299 4.656 5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.463 3.816 6.370 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.157 5.602 5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.671 7.084 3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.553 7.389 5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.009 6.452 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.574 4.817 3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.921 4.162 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.104 3.469 4.572 1.00 0.00 H new ATOM 1383 N LEU A 89 -1.965 4.488 8.186 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.288 3.666 9.171 1.00 0.00 C ATOM 1385 C LEU A 89 -1.285 4.380 10.526 1.00 0.00 C ATOM 1386 O LEU A 89 -1.566 3.762 11.547 1.00 0.00 O ATOM 1387 CB LEU A 89 0.142 3.424 8.676 1.00 0.00 C ATOM 1388 CG LEU A 89 0.299 2.190 7.778 1.00 0.00 C ATOM 1389 CD1 LEU A 89 1.687 2.244 7.142 1.00 0.00 C ATOM 1390 CD2 LEU A 89 0.182 0.872 8.550 1.00 0.00 C ATOM 0 H LEU A 89 -1.366 4.776 7.412 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.799 2.712 9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.478 4.304 8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.799 3.317 9.539 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.502 2.213 7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.826 1.376 6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.781 3.155 6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.446 2.240 7.924 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.301 0.035 7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.959 0.827 9.314 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.797 0.814 9.025 1.00 0.00 H new ATOM 1402 N SER A 90 -1.019 5.684 10.546 1.00 0.00 N ATOM 1403 CA SER A 90 -0.976 6.475 11.761 1.00 0.00 C ATOM 1404 C SER A 90 -2.368 6.681 12.375 1.00 0.00 C ATOM 1405 O SER A 90 -2.499 6.614 13.602 1.00 0.00 O ATOM 1406 CB SER A 90 -0.299 7.814 11.426 1.00 0.00 C ATOM 1407 OG SER A 90 0.080 8.513 12.594 1.00 0.00 O ATOM 0 H SER A 90 -0.825 6.224 9.702 1.00 0.00 H new ATOM 0 HA SER A 90 -0.402 5.943 12.520 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.581 7.633 10.808 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.980 8.429 10.838 1.00 0.00 H new ATOM 0 HG SER A 90 0.508 9.358 12.345 1.00 0.00 H new ATOM 1413 N THR A 91 -3.399 6.928 11.567 1.00 0.00 N ATOM 1414 CA THR A 91 -4.765 7.176 12.040 1.00 0.00 C ATOM 1415 C THR A 91 -5.626 5.919 12.207 1.00 0.00 C ATOM 1416 O THR A 91 -6.590 5.939 12.968 1.00 0.00 O ATOM 1417 CB THR A 91 -5.454 8.144 11.063 1.00 0.00 C ATOM 1418 OG1 THR A 91 -5.410 7.647 9.734 1.00 0.00 O ATOM 1419 CG2 THR A 91 -4.804 9.527 11.059 1.00 0.00 C ATOM 0 H THR A 91 -3.310 6.962 10.551 1.00 0.00 H new ATOM 0 HA THR A 91 -4.673 7.600 13.040 1.00 0.00 H new ATOM 0 HB THR A 91 -6.484 8.229 11.409 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.593 7.962 9.294 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.327 10.173 10.353 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.862 9.959 12.058 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.759 9.437 10.763 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.242 4.816 11.563 1.00 0.00 N ATOM 1428 CA GLN A 92 -5.919 3.520 11.548 1.00 0.00 C ATOM 1429 C GLN A 92 -7.307 3.623 10.888 1.00 0.00 C ATOM 1430 O GLN A 92 -8.236 2.894 11.251 1.00 0.00 O ATOM 1431 CB GLN A 92 -5.878 2.836 12.932 1.00 0.00 C ATOM 1432 CG GLN A 92 -4.456 2.377 13.297 1.00 0.00 C ATOM 1433 CD GLN A 92 -4.008 1.208 12.422 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -4.515 0.094 12.537 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -3.066 1.423 11.529 1.00 0.00 N ATOM 0 H GLN A 92 -4.392 4.805 11.000 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.366 2.834 10.906 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.243 3.528 13.691 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.549 1.977 12.934 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.762 3.209 13.179 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.425 2.082 14.346 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.650 2.350 11.440 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.752 0.663 10.926 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.457 4.536 9.921 1.00 0.00 N ATOM 1445 CA GLN A 93 -8.705 4.747 9.188 1.00 0.00 C ATOM 1446 C GLN A 93 -8.932 3.618 8.175 1.00 0.00 C ATOM 1447 O GLN A 93 -7.964 3.099 7.610 1.00 0.00 O ATOM 1448 CB GLN A 93 -8.661 6.083 8.430 1.00 0.00 C ATOM 1449 CG GLN A 93 -8.768 7.258 9.399 1.00 0.00 C ATOM 1450 CD GLN A 93 -8.708 8.595 8.681 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -9.737 9.186 8.358 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.515 9.076 8.396 1.00 0.00 N ATOM 0 H GLN A 93 -6.703 5.156 9.624 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.519 4.759 9.912 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.732 6.155 7.864 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.477 6.125 7.709 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.703 7.186 9.954 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.960 7.201 10.128 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.678 8.564 8.676 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.428 9.960 7.895 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.197 3.262 7.892 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.510 2.215 6.939 1.00 0.00 C ATOM 1463 C PRO A 94 -10.342 2.729 5.505 1.00 0.00 C ATOM 1464 O PRO A 94 -10.593 3.900 5.203 1.00 0.00 O ATOM 1465 CB PRO A 94 -11.956 1.816 7.239 1.00 0.00 C ATOM 1466 CG PRO A 94 -12.577 3.108 7.767 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.415 3.790 8.489 1.00 0.00 C ATOM 0 HA PRO A 94 -9.843 1.358 7.028 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.468 1.460 6.345 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.007 1.015 7.976 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.966 3.727 6.958 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.408 2.907 8.443 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.467 4.873 8.373 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.446 3.582 9.558 1.00 0.00 H new ATOM 1475 N LEU A 95 -9.979 1.822 4.600 1.00 0.00 N ATOM 1476 CA LEU A 95 -9.766 2.081 3.184 1.00 0.00 C ATOM 1477 C LEU A 95 -11.069 2.432 2.486 1.00 0.00 C ATOM 1478 O LEU A 95 -11.034 3.248 1.575 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.146 0.853 2.490 1.00 0.00 C ATOM 1480 CG LEU A 95 -7.613 0.803 2.616 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -7.108 -0.597 2.266 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -6.950 1.798 1.654 1.00 0.00 C ATOM 0 H LEU A 95 -9.819 0.846 4.848 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.082 2.927 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.570 -0.054 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.418 0.863 1.435 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.357 1.060 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.022 -0.625 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.549 -1.324 2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.393 -0.841 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.867 1.743 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.225 1.551 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.287 2.808 1.886 1.00 0.00 H new ATOM 1494 N THR A 96 -12.184 1.767 2.814 1.00 0.00 N ATOM 1495 CA THR A 96 -13.496 2.026 2.216 1.00 0.00 C ATOM 1496 C THR A 96 -14.599 1.360 3.054 1.00 0.00 C ATOM 1497 O THR A 96 -14.487 0.187 3.426 1.00 0.00 O ATOM 1498 CB THR A 96 -13.579 1.582 0.735 1.00 0.00 C ATOM 1499 OG1 THR A 96 -12.506 0.749 0.360 1.00 0.00 O ATOM 1500 CG2 THR A 96 -13.525 2.735 -0.265 1.00 0.00 C ATOM 0 H THR A 96 -12.198 1.024 3.512 1.00 0.00 H new ATOM 0 HA THR A 96 -13.646 3.106 2.220 1.00 0.00 H new ATOM 0 HB THR A 96 -14.541 1.072 0.695 1.00 0.00 H new ATOM 0 HG1 THR A 96 -12.603 0.494 -0.581 1.00 0.00 H new ATOM 0 HG21 THR A 96 -13.589 2.340 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 96 -14.361 3.412 -0.086 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.587 3.277 -0.145 1.00 0.00 H new ATOM 1508 N LYS A 97 -15.705 2.074 3.286 1.00 0.00 N ATOM 1509 CA LYS A 97 -16.873 1.654 4.070 1.00 0.00 C ATOM 1510 C LYS A 97 -17.468 0.299 3.686 1.00 0.00 C ATOM 1511 O LYS A 97 -17.963 -0.419 4.554 1.00 0.00 O ATOM 1512 CB LYS A 97 -17.942 2.761 3.971 1.00 0.00 C ATOM 1513 CG LYS A 97 -19.194 2.556 4.833 1.00 0.00 C ATOM 1514 CD LYS A 97 -18.974 2.187 6.306 1.00 0.00 C ATOM 1515 CE LYS A 97 -18.415 3.294 7.219 1.00 0.00 C ATOM 1516 NZ LYS A 97 -16.942 3.430 7.181 1.00 0.00 N ATOM 0 H LYS A 97 -15.816 3.016 2.910 1.00 0.00 H new ATOM 0 HA LYS A 97 -16.527 1.512 5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -17.483 3.710 4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -18.251 2.850 2.930 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -19.783 3.473 4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.796 1.772 4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -19.926 1.853 6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.293 1.337 6.346 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.863 4.245 6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.723 3.092 8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.639 4.123 7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.503 2.509 7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -16.647 3.753 6.237 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.439 -0.088 2.411 1.00 0.00 N ATOM 1531 CA LYS A 98 -18.008 -1.378 2.003 1.00 0.00 C ATOM 1532 C LYS A 98 -17.225 -2.585 2.530 1.00 0.00 C ATOM 1533 O LYS A 98 -17.800 -3.678 2.537 1.00 0.00 O ATOM 1534 CB LYS A 98 -18.160 -1.487 0.473 1.00 0.00 C ATOM 1535 CG LYS A 98 -19.455 -0.861 -0.071 1.00 0.00 C ATOM 1536 CD LYS A 98 -19.471 0.668 -0.131 1.00 0.00 C ATOM 1537 CE LYS A 98 -18.402 1.163 -1.109 1.00 0.00 C ATOM 1538 NZ LYS A 98 -18.576 2.586 -1.431 1.00 0.00 N ATOM 0 H LYS A 98 -17.035 0.461 1.652 1.00 0.00 H new ATOM 0 HA LYS A 98 -18.997 -1.403 2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -17.307 -1.003 -0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.129 -2.539 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -19.632 -1.249 -1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -20.287 -1.192 0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -20.454 1.018 -0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -19.288 1.081 0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.413 1.006 -0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -18.447 0.575 -2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -17.834 2.885 -2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -19.509 2.732 -1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.508 3.150 -0.560 1.00 0.00 H new ATOM 1552 N SER A 99 -15.972 -2.429 2.978 1.00 0.00 N ATOM 1553 CA SER A 99 -15.175 -3.551 3.470 1.00 0.00 C ATOM 1554 C SER A 99 -14.414 -3.262 4.775 1.00 0.00 C ATOM 1555 O SER A 99 -13.775 -4.184 5.273 1.00 0.00 O ATOM 1556 CB SER A 99 -14.255 -4.015 2.330 1.00 0.00 C ATOM 1557 OG SER A 99 -13.707 -5.296 2.570 1.00 0.00 O ATOM 0 H SER A 99 -15.490 -1.530 3.008 1.00 0.00 H new ATOM 0 HA SER A 99 -15.851 -4.357 3.754 1.00 0.00 H new ATOM 0 HB2 SER A 99 -14.817 -4.032 1.396 1.00 0.00 H new ATOM 0 HB3 SER A 99 -13.447 -3.295 2.202 1.00 0.00 H new ATOM 0 HG SER A 99 -13.514 -5.395 3.526 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.431 -2.030 5.299 1.00 0.00 N ATOM 1564 CA GLY A 100 -13.785 -1.596 6.545 1.00 0.00 C ATOM 1565 C GLY A 100 -12.305 -1.940 6.753 1.00 0.00 C ATOM 1566 O GLY A 100 -11.798 -1.730 7.848 1.00 0.00 O ATOM 0 H GLY A 100 -14.924 -1.265 4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.888 -0.513 6.613 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.346 -2.022 7.377 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.595 -2.395 5.724 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.194 -2.788 5.779 1.00 0.00 C ATOM 1572 C VAL A 101 -9.269 -1.682 6.292 1.00 0.00 C ATOM 1573 O VAL A 101 -9.351 -0.568 5.787 1.00 0.00 O ATOM 1574 CB VAL A 101 -9.756 -3.232 4.372 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.334 -3.787 4.427 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -10.714 -4.249 3.721 1.00 0.00 C ATOM 0 H VAL A 101 -11.998 -2.503 4.793 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.109 -3.605 6.495 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.786 -2.347 3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.027 -4.100 3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.656 -3.015 4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.303 -4.643 5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.343 -4.517 2.732 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.772 -5.143 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.706 -3.807 3.629 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.340 -1.991 7.203 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.380 -1.040 7.766 1.00 0.00 C ATOM 1588 C VAL A 102 -5.967 -1.580 7.518 1.00 0.00 C ATOM 1589 O VAL A 102 -5.761 -2.795 7.491 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.623 -0.849 9.280 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.769 0.297 9.844 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.087 -0.552 9.623 1.00 0.00 C ATOM 0 H VAL A 102 -8.234 -2.934 7.578 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.500 -0.069 7.287 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.341 -1.799 9.733 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.964 0.405 10.911 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.713 0.075 9.689 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.023 1.226 9.333 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.190 -0.429 10.701 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.400 0.364 9.121 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.714 -1.380 9.291 1.00 0.00 H new ATOM 1602 N LEU A 103 -4.996 -0.690 7.293 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.603 -1.067 7.074 1.00 0.00 C ATOM 1604 C LEU A 103 -2.960 -1.121 8.451 1.00 0.00 C ATOM 1605 O LEU A 103 -3.092 -0.165 9.210 1.00 0.00 O ATOM 1606 CB LEU A 103 -2.809 -0.010 6.280 1.00 0.00 C ATOM 1607 CG LEU A 103 -3.101 0.105 4.777 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.510 0.630 4.490 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -2.094 1.072 4.143 1.00 0.00 C ATOM 0 H LEU A 103 -5.159 0.316 7.258 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.586 -2.003 6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.993 0.963 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.747 -0.223 6.402 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.019 -0.897 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.663 0.691 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.246 -0.048 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.626 1.621 4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.295 1.159 3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.187 2.052 4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.083 0.693 4.292 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.244 -2.194 8.766 1.00 0.00 N ATOM 1622 CA HIS A 104 -1.559 -2.341 10.045 1.00 0.00 C ATOM 1623 C HIS A 104 -0.052 -2.378 9.821 1.00 0.00 C ATOM 1624 O HIS A 104 0.694 -1.716 10.541 1.00 0.00 O ATOM 1625 CB HIS A 104 -1.974 -3.630 10.760 1.00 0.00 C ATOM 1626 CG HIS A 104 -3.326 -3.603 11.423 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -3.526 -3.615 12.783 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -4.554 -3.654 10.822 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -4.841 -3.727 13.007 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -5.512 -3.769 11.837 1.00 0.00 N ATOM 0 H HIS A 104 -2.122 -2.989 8.139 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.835 -1.489 10.666 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -1.961 -4.445 10.037 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.224 -3.862 11.516 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.749 -3.613 9.760 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -5.299 -3.777 13.984 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -6.520 -3.866 11.716 1.00 0.00 H new ATOM 1638 N ARG A 105 0.423 -3.136 8.825 1.00 0.00 N ATOM 1639 CA ARG A 105 1.852 -3.266 8.557 1.00 0.00 C ATOM 1640 C ARG A 105 2.090 -3.639 7.101 1.00 0.00 C ATOM 1641 O ARG A 105 1.293 -4.359 6.505 1.00 0.00 O ATOM 1642 CB ARG A 105 2.374 -4.388 9.472 1.00 0.00 C ATOM 1643 CG ARG A 105 3.906 -4.492 9.522 1.00 0.00 C ATOM 1644 CD ARG A 105 4.355 -5.713 10.326 1.00 0.00 C ATOM 1645 NE ARG A 105 3.872 -6.944 9.686 1.00 0.00 N ATOM 1646 CZ ARG A 105 4.455 -7.582 8.668 1.00 0.00 C ATOM 1647 NH1 ARG A 105 5.739 -7.393 8.384 1.00 0.00 N ATOM 1648 NH2 ARG A 105 3.755 -8.412 7.913 1.00 0.00 N ATOM 0 H ARG A 105 -0.170 -3.670 8.190 1.00 0.00 H new ATOM 0 HA ARG A 105 2.366 -2.324 8.747 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.998 -4.224 10.482 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.966 -5.340 9.131 1.00 0.00 H new ATOM 0 HG2 ARG A 105 4.301 -4.556 8.508 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.319 -3.588 9.969 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.443 -5.733 10.395 1.00 0.00 H new ATOM 0 HD3 ARG A 105 3.972 -5.649 11.344 1.00 0.00 H new ATOM 0 HE ARG A 105 3.011 -7.349 10.053 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.297 -6.752 8.948 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.167 -7.889 7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 105 2.766 -8.567 8.107 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.204 -8.897 7.136 1.00 0.00 H new ATOM 1662 N ALA A 106 3.175 -3.130 6.529 1.00 0.00 N ATOM 1663 CA ALA A 106 3.552 -3.408 5.155 1.00 0.00 C ATOM 1664 C ALA A 106 4.235 -4.774 5.077 1.00 0.00 C ATOM 1665 O ALA A 106 4.846 -5.188 6.068 1.00 0.00 O ATOM 1666 CB ALA A 106 4.558 -2.346 4.731 1.00 0.00 C ATOM 0 H ALA A 106 3.821 -2.507 7.014 1.00 0.00 H new ATOM 0 HA ALA A 106 2.671 -3.403 4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.864 -2.525 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.100 -1.360 4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.431 -2.392 5.382 1.00 0.00 H new ATOM 1672 N VAL A 107 4.223 -5.450 3.927 1.00 0.00 N ATOM 1673 CA VAL A 107 4.872 -6.727 3.771 1.00 0.00 C ATOM 1674 C VAL A 107 6.153 -6.393 3.011 1.00 0.00 C ATOM 1675 O VAL A 107 6.057 -5.913 1.884 1.00 0.00 O ATOM 1676 CB VAL A 107 3.958 -7.695 3.006 1.00 0.00 C ATOM 1677 CG1 VAL A 107 4.718 -8.990 2.754 1.00 0.00 C ATOM 1678 CG2 VAL A 107 2.672 -8.005 3.781 1.00 0.00 C ATOM 0 H VAL A 107 3.758 -5.116 3.083 1.00 0.00 H new ATOM 0 HA VAL A 107 5.091 -7.230 4.713 1.00 0.00 H new ATOM 0 HB VAL A 107 3.672 -7.222 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.080 -9.687 2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.610 -8.780 2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.009 -9.432 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.056 -8.693 3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.925 -8.461 4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.120 -7.081 3.954 1.00 0.00 H new ATOM 1688 N PRO A 108 7.339 -6.508 3.622 1.00 0.00 N ATOM 1689 CA PRO A 108 8.577 -6.225 2.927 1.00 0.00 C ATOM 1690 C PRO A 108 8.947 -7.437 2.062 1.00 0.00 C ATOM 1691 O PRO A 108 8.647 -8.572 2.450 1.00 0.00 O ATOM 1692 CB PRO A 108 9.591 -6.038 4.059 1.00 0.00 C ATOM 1693 CG PRO A 108 9.116 -7.018 5.134 1.00 0.00 C ATOM 1694 CD PRO A 108 7.599 -7.038 4.951 1.00 0.00 C ATOM 0 HA PRO A 108 8.529 -5.358 2.268 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.605 -6.265 3.730 1.00 0.00 H new ATOM 0 HB3 PRO A 108 9.597 -5.012 4.426 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.550 -8.008 4.995 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.396 -6.685 6.133 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.209 -8.051 5.048 1.00 0.00 H new ATOM 0 HD3 PRO A 108 7.108 -6.433 5.713 1.00 0.00 H new ATOM 1702 N SER A 109 9.595 -7.244 0.907 1.00 0.00 N ATOM 1703 CA SER A 109 10.002 -8.405 0.108 1.00 0.00 C ATOM 1704 C SER A 109 11.248 -9.043 0.751 1.00 0.00 C ATOM 1705 O SER A 109 11.555 -10.206 0.482 1.00 0.00 O ATOM 1706 CB SER A 109 10.257 -8.036 -1.360 1.00 0.00 C ATOM 1707 OG SER A 109 9.861 -9.094 -2.236 1.00 0.00 O ATOM 0 H SER A 109 9.841 -6.334 0.517 1.00 0.00 H new ATOM 0 HA SER A 109 9.186 -9.128 0.101 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.708 -7.128 -1.610 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.315 -7.818 -1.504 1.00 0.00 H new ATOM 0 HG SER A 109 8.935 -8.951 -2.524 1.00 0.00 H new