USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 829 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 91 THR OG1 : rot -33:sc= 0.652 USER MOD Set 1.2: A 93 GLN : amide:sc= 0.709 X(o=1.4,f=1.2) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -0.634 K(o=-0.33,f=-2.7!) USER MOD Set 2.2: A 109 SER OG : rot 101:sc= 0.307 USER MOD Set 3.1: A 19 TYR OH : rot 60:sc= 0.267 USER MOD Set 3.2: A 49 TYR OH : rot 180:sc= 0.123 USER MOD Single : A 10 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.11) USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 1.35 (180deg=1.24) USER MOD Single : A 14 HIS : no HD1:sc= -0.942 X(o=-0.94,f=-1.3) USER MOD Single : A 16 GLN : amide:sc= 0.512 K(o=0.51,f=-1.1) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot -85:sc= 1.2 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot -90:sc= 0.0852 USER MOD Single : A 61 HIS : no HE2:sc= -0.156 K(o=-0.16,f=-0.87) USER MOD Single : A 65 GLN : amide:sc= -0.953! C(o=-0.95!,f=-4.5!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0.087) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.1!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -3.4! K(o=-3.4!,f=-0.095) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 97 LYS NZ :NH3+ -168:sc= 1.09 (180deg=0.667) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -0.468 10.267 -8.248 1.00 0.00 N ATOM 67 CA GLU A 8 -0.800 10.819 -6.933 1.00 0.00 C ATOM 68 C GLU A 8 0.419 10.941 -5.991 1.00 0.00 C ATOM 69 O GLU A 8 0.274 11.079 -4.782 1.00 0.00 O ATOM 70 CB GLU A 8 -1.968 10.018 -6.312 1.00 0.00 C ATOM 71 CG GLU A 8 -3.232 9.992 -7.190 1.00 0.00 C ATOM 72 CD GLU A 8 -3.287 8.919 -8.296 1.00 0.00 C ATOM 73 OE1 GLU A 8 -2.727 7.801 -8.174 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.936 9.191 -9.332 1.00 0.00 O ATOM 0 HA GLU A 8 -1.128 11.849 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.640 8.994 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.218 10.449 -5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.095 9.854 -6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.340 10.970 -7.659 1.00 0.00 H new ATOM 81 N VAL A 9 1.639 10.878 -6.518 1.00 0.00 N ATOM 82 CA VAL A 9 2.867 10.605 -5.803 1.00 0.00 C ATOM 83 C VAL A 9 3.159 11.704 -4.792 1.00 0.00 C ATOM 84 O VAL A 9 3.588 11.437 -3.668 1.00 0.00 O ATOM 85 CB VAL A 9 4.006 10.531 -6.843 1.00 0.00 C ATOM 86 CG1 VAL A 9 5.183 9.774 -6.243 1.00 0.00 C ATOM 87 CG2 VAL A 9 3.594 9.923 -8.197 1.00 0.00 C ATOM 0 H VAL A 9 1.798 11.026 -7.515 1.00 0.00 H new ATOM 0 HA VAL A 9 2.779 9.666 -5.256 1.00 0.00 H new ATOM 0 HB VAL A 9 4.289 11.558 -7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.990 9.719 -6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.534 10.295 -5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.868 8.766 -5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.454 9.910 -8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.237 8.905 -8.045 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.799 10.524 -8.639 1.00 0.00 H new ATOM 97 N GLN A 10 2.989 12.949 -5.236 1.00 0.00 N ATOM 98 CA GLN A 10 3.354 14.133 -4.487 1.00 0.00 C ATOM 99 C GLN A 10 2.146 14.655 -3.706 1.00 0.00 C ATOM 100 O GLN A 10 2.297 15.583 -2.905 1.00 0.00 O ATOM 101 CB GLN A 10 3.886 15.219 -5.436 1.00 0.00 C ATOM 102 CG GLN A 10 4.919 14.725 -6.460 1.00 0.00 C ATOM 103 CD GLN A 10 6.173 14.099 -5.848 1.00 0.00 C ATOM 104 OE1 GLN A 10 6.807 14.653 -4.953 1.00 0.00 O ATOM 105 NE2 GLN A 10 6.593 12.937 -6.326 1.00 0.00 N ATOM 0 H GLN A 10 2.584 13.158 -6.148 1.00 0.00 H new ATOM 0 HA GLN A 10 4.142 13.873 -3.780 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.045 15.658 -5.972 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.335 16.014 -4.841 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.444 13.992 -7.111 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.217 15.564 -7.089 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.071 12.472 -7.069 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.438 12.507 -5.951 1.00 0.00 H new ATOM 114 N LYS A 11 0.946 14.107 -3.941 1.00 0.00 N ATOM 115 CA LYS A 11 -0.243 14.397 -3.147 1.00 0.00 C ATOM 116 C LYS A 11 -0.022 13.910 -1.717 1.00 0.00 C ATOM 117 O LYS A 11 0.807 13.013 -1.507 1.00 0.00 O ATOM 118 CB LYS A 11 -1.469 13.688 -3.742 1.00 0.00 C ATOM 119 CG LYS A 11 -1.830 14.183 -5.146 1.00 0.00 C ATOM 120 CD LYS A 11 -3.272 13.799 -5.464 1.00 0.00 C ATOM 121 CE LYS A 11 -3.767 14.626 -6.644 1.00 0.00 C ATOM 122 NZ LYS A 11 -5.222 14.498 -6.816 1.00 0.00 N ATOM 0 H LYS A 11 0.778 13.443 -4.697 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.421 15.472 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.278 12.616 -3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.323 13.836 -3.081 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.709 15.265 -5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.155 13.746 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.334 12.736 -5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.906 13.970 -4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.508 15.674 -6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.262 14.303 -7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.537 15.125 -7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.458 13.513 -7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.701 14.765 -5.932 1.00 0.00 H new ATOM 136 N PRO A 12 -0.774 14.424 -0.734 1.00 0.00 N ATOM 137 CA PRO A 12 -0.683 13.881 0.603 1.00 0.00 C ATOM 138 C PRO A 12 -1.208 12.447 0.609 1.00 0.00 C ATOM 139 O PRO A 12 -1.985 12.037 -0.256 1.00 0.00 O ATOM 140 CB PRO A 12 -1.514 14.807 1.484 1.00 0.00 C ATOM 141 CG PRO A 12 -2.502 15.473 0.531 1.00 0.00 C ATOM 142 CD PRO A 12 -1.780 15.477 -0.816 1.00 0.00 C ATOM 0 HA PRO A 12 0.342 13.834 0.972 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.032 14.250 2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.887 15.546 1.983 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.439 14.919 0.479 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.747 16.485 0.854 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.477 15.289 -1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.317 16.445 -1.008 1.00 0.00 H new ATOM 150 N LEU A 13 -0.819 11.690 1.633 1.00 0.00 N ATOM 151 CA LEU A 13 -1.367 10.372 1.916 1.00 0.00 C ATOM 152 C LEU A 13 -2.870 10.479 2.149 1.00 0.00 C ATOM 153 O LEU A 13 -3.612 9.591 1.749 1.00 0.00 O ATOM 154 CB LEU A 13 -0.599 9.756 3.097 1.00 0.00 C ATOM 155 CG LEU A 13 -0.949 8.279 3.399 1.00 0.00 C ATOM 156 CD1 LEU A 13 0.238 7.524 3.997 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.072 8.175 4.426 1.00 0.00 C ATOM 0 H LEU A 13 -0.103 11.983 2.298 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.239 9.700 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.470 9.827 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.794 10.351 3.989 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.242 7.847 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.050 6.491 4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.071 7.541 3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.540 8.001 4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.295 7.125 4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.762 8.655 5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.963 8.671 4.042 1.00 0.00 H new ATOM 169 N HIS A 14 -3.325 11.577 2.758 1.00 0.00 N ATOM 170 CA HIS A 14 -4.715 11.723 3.157 1.00 0.00 C ATOM 171 C HIS A 14 -5.667 12.052 1.992 1.00 0.00 C ATOM 172 O HIS A 14 -6.843 12.309 2.241 1.00 0.00 O ATOM 173 CB HIS A 14 -4.828 12.763 4.284 1.00 0.00 C ATOM 174 CG HIS A 14 -4.606 14.194 3.850 1.00 0.00 C ATOM 175 ND1 HIS A 14 -5.431 14.922 3.023 1.00 0.00 N ATOM 176 CD2 HIS A 14 -3.573 15.007 4.226 1.00 0.00 C ATOM 177 CE1 HIS A 14 -4.895 16.148 2.885 1.00 0.00 C ATOM 178 NE2 HIS A 14 -3.765 16.252 3.613 1.00 0.00 N ATOM 0 H HIS A 14 -2.740 12.381 2.984 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.041 10.750 3.524 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.817 12.684 4.734 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.104 12.517 5.060 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.756 14.738 4.879 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.311 16.938 2.277 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.168 17.074 3.700 1.00 0.00 H new ATOM 186 N GLU A 15 -5.192 12.117 0.742 1.00 0.00 N ATOM 187 CA GLU A 15 -6.017 12.271 -0.441 1.00 0.00 C ATOM 188 C GLU A 15 -5.980 10.974 -1.280 1.00 0.00 C ATOM 189 O GLU A 15 -6.734 10.838 -2.247 1.00 0.00 O ATOM 190 CB GLU A 15 -5.498 13.530 -1.169 1.00 0.00 C ATOM 191 CG GLU A 15 -6.040 13.617 -2.590 1.00 0.00 C ATOM 192 CD GLU A 15 -5.860 14.957 -3.310 1.00 0.00 C ATOM 193 OE1 GLU A 15 -5.069 15.812 -2.861 1.00 0.00 O ATOM 194 OE2 GLU A 15 -6.443 15.118 -4.413 1.00 0.00 O ATOM 0 H GLU A 15 -4.196 12.062 0.530 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.073 12.419 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.790 14.420 -0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.408 13.514 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.559 12.842 -3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.105 13.384 -2.564 1.00 0.00 H new ATOM 201 N GLN A 16 -5.098 10.018 -0.952 1.00 0.00 N ATOM 202 CA GLN A 16 -4.925 8.813 -1.754 1.00 0.00 C ATOM 203 C GLN A 16 -6.193 7.962 -1.729 1.00 0.00 C ATOM 204 O GLN A 16 -7.072 8.146 -0.884 1.00 0.00 O ATOM 205 CB GLN A 16 -3.758 7.962 -1.250 1.00 0.00 C ATOM 206 CG GLN A 16 -2.410 8.686 -1.141 1.00 0.00 C ATOM 207 CD GLN A 16 -1.704 9.043 -2.448 1.00 0.00 C ATOM 208 OE1 GLN A 16 -1.518 8.214 -3.332 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.176 10.251 -2.538 1.00 0.00 N ATOM 0 H GLN A 16 -4.494 10.063 -0.131 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.714 9.139 -2.772 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.018 7.566 -0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.639 7.108 -1.917 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.565 9.606 -0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.737 8.062 -0.553 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.336 10.934 -1.798 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.608 10.500 -3.348 1.00 0.00 H new ATOM 218 N LEU A 17 -6.255 7.017 -2.665 1.00 0.00 N ATOM 219 CA LEU A 17 -7.463 6.274 -2.994 1.00 0.00 C ATOM 220 C LEU A 17 -7.382 4.865 -2.433 1.00 0.00 C ATOM 221 O LEU A 17 -8.338 4.401 -1.821 1.00 0.00 O ATOM 222 CB LEU A 17 -7.719 6.241 -4.508 1.00 0.00 C ATOM 223 CG LEU A 17 -6.498 6.047 -5.429 1.00 0.00 C ATOM 224 CD1 LEU A 17 -6.847 5.194 -6.651 1.00 0.00 C ATOM 225 CD2 LEU A 17 -5.933 7.408 -5.857 1.00 0.00 C ATOM 0 H LEU A 17 -5.448 6.743 -3.226 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.306 6.790 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.427 5.438 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.207 7.175 -4.788 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.733 5.512 -4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.963 5.078 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.191 4.213 -6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.636 5.683 -7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.071 7.256 -6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.699 7.967 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.627 7.969 -4.974 1.00 0.00 H new ATOM 237 N TRP A 18 -6.219 4.228 -2.568 1.00 0.00 N ATOM 238 CA TRP A 18 -5.896 2.987 -1.871 1.00 0.00 C ATOM 239 C TRP A 18 -5.855 3.163 -0.355 1.00 0.00 C ATOM 240 O TRP A 18 -5.791 2.167 0.367 1.00 0.00 O ATOM 241 CB TRP A 18 -4.567 2.428 -2.387 1.00 0.00 C ATOM 242 CG TRP A 18 -3.407 3.375 -2.472 1.00 0.00 C ATOM 243 CD1 TRP A 18 -2.872 3.791 -3.637 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.595 4.010 -1.425 1.00 0.00 C ATOM 245 NE1 TRP A 18 -1.809 4.615 -3.390 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.584 4.788 -2.054 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.582 4.027 -0.015 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.629 5.531 -1.355 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.636 4.781 0.713 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.652 5.529 0.048 1.00 0.00 C ATOM 0 H TRP A 18 -5.468 4.564 -3.171 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.694 2.275 -2.082 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.278 1.598 -1.743 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.738 2.015 -3.381 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.229 3.515 -4.618 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.247 5.051 -4.121 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.317 3.447 0.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.118 6.100 -1.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.670 4.782 1.792 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.077 6.095 0.608 1.00 0.00 H new ATOM 261 N TYR A 19 -5.822 4.397 0.153 1.00 0.00 N ATOM 262 CA TYR A 19 -5.797 4.635 1.588 1.00 0.00 C ATOM 263 C TYR A 19 -7.227 4.544 2.139 1.00 0.00 C ATOM 264 O TYR A 19 -7.897 5.563 2.279 1.00 0.00 O ATOM 265 CB TYR A 19 -5.084 5.953 1.912 1.00 0.00 C ATOM 266 CG TYR A 19 -5.005 6.249 3.404 1.00 0.00 C ATOM 267 CD1 TYR A 19 -4.672 5.240 4.337 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.258 7.554 3.862 1.00 0.00 C ATOM 269 CE1 TYR A 19 -4.612 5.524 5.714 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.186 7.850 5.233 1.00 0.00 C ATOM 271 CZ TYR A 19 -4.875 6.840 6.168 1.00 0.00 C ATOM 272 OH TYR A 19 -4.809 7.166 7.487 1.00 0.00 O ATOM 0 H TYR A 19 -5.812 5.245 -0.414 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.212 3.865 2.091 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.075 5.921 1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.605 6.771 1.414 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.461 4.240 3.989 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.509 8.332 3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.367 4.744 6.420 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.370 8.858 5.574 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.905 6.992 7.822 1.00 0.00 H new ATOM 282 N HIS A 20 -7.698 3.329 2.444 1.00 0.00 N ATOM 283 CA HIS A 20 -9.026 3.082 3.032 1.00 0.00 C ATOM 284 C HIS A 20 -9.061 3.459 4.532 1.00 0.00 C ATOM 285 O HIS A 20 -10.055 3.247 5.224 1.00 0.00 O ATOM 286 CB HIS A 20 -9.473 1.622 2.821 1.00 0.00 C ATOM 287 CG HIS A 20 -9.952 1.238 1.443 1.00 0.00 C ATOM 288 ND1 HIS A 20 -11.240 0.855 1.142 1.00 0.00 N ATOM 289 CD2 HIS A 20 -9.205 1.104 0.302 1.00 0.00 C ATOM 290 CE1 HIS A 20 -11.276 0.537 -0.162 1.00 0.00 C ATOM 291 NE2 HIS A 20 -10.054 0.649 -0.709 1.00 0.00 N ATOM 0 H HIS A 20 -7.162 2.475 2.288 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.734 3.726 2.511 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.637 0.972 3.081 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.274 1.409 3.528 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -12.025 0.819 1.792 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -8.150 1.313 0.203 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -12.164 0.233 -0.697 1.00 0.00 H new ATOM 299 N GLY A 21 -7.974 4.012 5.072 1.00 0.00 N ATOM 300 CA GLY A 21 -7.920 4.537 6.417 1.00 0.00 C ATOM 301 C GLY A 21 -7.643 3.404 7.384 1.00 0.00 C ATOM 302 O GLY A 21 -6.497 2.988 7.521 1.00 0.00 O ATOM 0 H GLY A 21 -7.093 4.104 4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.140 5.295 6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.863 5.023 6.668 1.00 0.00 H new ATOM 306 N ALA A 22 -8.683 2.898 8.042 1.00 0.00 N ATOM 307 CA ALA A 22 -8.630 1.892 9.092 1.00 0.00 C ATOM 308 C ALA A 22 -9.635 0.798 8.755 1.00 0.00 C ATOM 309 O ALA A 22 -10.837 1.065 8.754 1.00 0.00 O ATOM 310 CB ALA A 22 -8.944 2.550 10.440 1.00 0.00 C ATOM 0 H ALA A 22 -9.637 3.198 7.843 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.637 1.448 9.162 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.905 1.799 11.229 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.210 3.329 10.644 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.941 2.990 10.407 1.00 0.00 H new ATOM 316 N ILE A 23 -9.170 -0.405 8.404 1.00 0.00 N ATOM 317 CA ILE A 23 -10.035 -1.502 7.968 1.00 0.00 C ATOM 318 C ILE A 23 -9.490 -2.835 8.533 1.00 0.00 C ATOM 319 O ILE A 23 -8.265 -3.004 8.604 1.00 0.00 O ATOM 320 CB ILE A 23 -10.237 -1.492 6.415 1.00 0.00 C ATOM 321 CG1 ILE A 23 -9.770 -2.800 5.741 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.628 -0.280 5.692 1.00 0.00 C ATOM 323 CD1 ILE A 23 -10.111 -2.954 4.264 1.00 0.00 C ATOM 0 H ILE A 23 -8.179 -0.645 8.415 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.039 -1.372 8.373 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.318 -1.407 6.304 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.688 -2.876 5.853 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.206 -3.639 6.283 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.818 -0.361 4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.080 0.636 6.073 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.553 -0.254 5.868 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.733 -3.910 3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.193 -2.919 4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.651 -2.144 3.698 1.00 0.00 H new ATOM 335 N PRO A 24 -10.354 -3.813 8.863 1.00 0.00 N ATOM 336 CA PRO A 24 -9.962 -5.151 9.307 1.00 0.00 C ATOM 337 C PRO A 24 -9.477 -6.042 8.155 1.00 0.00 C ATOM 338 O PRO A 24 -9.815 -5.841 6.989 1.00 0.00 O ATOM 339 CB PRO A 24 -11.233 -5.766 9.895 1.00 0.00 C ATOM 340 CG PRO A 24 -12.353 -5.073 9.137 1.00 0.00 C ATOM 341 CD PRO A 24 -11.802 -3.692 8.816 1.00 0.00 C ATOM 0 HA PRO A 24 -9.135 -5.079 10.014 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.260 -6.846 9.749 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.305 -5.587 10.968 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.613 -5.617 8.229 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.259 -5.008 9.740 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.133 -3.360 7.832 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.155 -2.955 9.537 1.00 0.00 H new ATOM 349 N ARG A 25 -8.751 -7.120 8.469 1.00 0.00 N ATOM 350 CA ARG A 25 -8.246 -8.031 7.441 1.00 0.00 C ATOM 351 C ARG A 25 -9.378 -8.724 6.683 1.00 0.00 C ATOM 352 O ARG A 25 -9.180 -9.064 5.519 1.00 0.00 O ATOM 353 CB ARG A 25 -7.215 -9.026 8.008 1.00 0.00 C ATOM 354 CG ARG A 25 -7.800 -10.152 8.876 1.00 0.00 C ATOM 355 CD ARG A 25 -6.699 -11.048 9.457 1.00 0.00 C ATOM 356 NE ARG A 25 -5.924 -10.374 10.512 1.00 0.00 N ATOM 357 CZ ARG A 25 -5.095 -10.947 11.390 1.00 0.00 C ATOM 358 NH1 ARG A 25 -4.961 -12.264 11.477 1.00 0.00 N ATOM 359 NH2 ARG A 25 -4.377 -10.185 12.201 1.00 0.00 N ATOM 0 H ARG A 25 -8.502 -7.381 9.423 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.715 -7.423 6.708 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.672 -9.475 7.176 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.488 -8.472 8.602 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.384 -9.720 9.688 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.483 -10.755 8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.149 -11.954 9.863 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.026 -11.357 8.657 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.031 -9.362 10.580 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.500 -12.873 10.862 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.319 -12.667 12.159 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.459 -9.169 12.152 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.742 -10.614 12.874 1.00 0.00 H new ATOM 373 N ALA A 26 -10.539 -8.936 7.309 1.00 0.00 N ATOM 374 CA ALA A 26 -11.646 -9.638 6.678 1.00 0.00 C ATOM 375 C ALA A 26 -12.456 -8.759 5.716 1.00 0.00 C ATOM 376 O ALA A 26 -13.330 -9.284 5.023 1.00 0.00 O ATOM 377 CB ALA A 26 -12.551 -10.249 7.744 1.00 0.00 C ATOM 0 H ALA A 26 -10.732 -8.626 8.261 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.211 -10.429 6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.377 -10.773 7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.978 -10.952 8.348 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.945 -9.459 8.383 1.00 0.00 H new ATOM 383 N GLU A 27 -12.184 -7.458 5.631 1.00 0.00 N ATOM 384 CA GLU A 27 -12.753 -6.603 4.587 1.00 0.00 C ATOM 385 C GLU A 27 -11.906 -6.702 3.306 1.00 0.00 C ATOM 386 O GLU A 27 -12.445 -6.732 2.206 1.00 0.00 O ATOM 387 CB GLU A 27 -12.831 -5.165 5.114 1.00 0.00 C ATOM 388 CG GLU A 27 -14.050 -4.935 6.014 1.00 0.00 C ATOM 389 CD GLU A 27 -15.416 -5.072 5.352 1.00 0.00 C ATOM 390 OE1 GLU A 27 -15.936 -6.214 5.322 1.00 0.00 O ATOM 391 OE2 GLU A 27 -16.037 -4.043 5.002 1.00 0.00 O ATOM 0 H GLU A 27 -11.567 -6.968 6.279 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.761 -6.932 4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.923 -4.936 5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.870 -4.474 4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.000 -5.640 6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.976 -3.935 6.441 1.00 0.00 H new ATOM 398 N VAL A 28 -10.582 -6.822 3.451 1.00 0.00 N ATOM 399 CA VAL A 28 -9.575 -6.770 2.391 1.00 0.00 C ATOM 400 C VAL A 28 -9.986 -7.552 1.138 1.00 0.00 C ATOM 401 O VAL A 28 -10.064 -6.960 0.070 1.00 0.00 O ATOM 402 CB VAL A 28 -8.215 -7.238 2.944 1.00 0.00 C ATOM 403 CG1 VAL A 28 -7.133 -7.263 1.866 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.707 -6.347 4.089 1.00 0.00 C ATOM 0 H VAL A 28 -10.161 -6.967 4.369 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.485 -5.733 2.066 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.397 -8.246 3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.192 -7.599 2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.428 -7.946 1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.005 -6.261 1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.746 -6.721 4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.589 -5.325 3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.425 -6.363 4.909 1.00 0.00 H new ATOM 414 N ALA A 29 -10.169 -8.872 1.211 1.00 0.00 N ATOM 415 CA ALA A 29 -10.362 -9.709 0.018 1.00 0.00 C ATOM 416 C ALA A 29 -11.701 -9.475 -0.696 1.00 0.00 C ATOM 417 O ALA A 29 -11.951 -10.049 -1.751 1.00 0.00 O ATOM 418 CB ALA A 29 -10.326 -11.180 0.385 1.00 0.00 C ATOM 0 H ALA A 29 -10.188 -9.390 2.089 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.548 -9.427 -0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.471 -11.782 -0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.361 -11.420 0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.120 -11.396 1.099 1.00 0.00 H new ATOM 424 N GLU A 30 -12.609 -8.728 -0.080 1.00 0.00 N ATOM 425 CA GLU A 30 -13.820 -8.238 -0.723 1.00 0.00 C ATOM 426 C GLU A 30 -13.506 -6.995 -1.584 1.00 0.00 C ATOM 427 O GLU A 30 -14.251 -6.677 -2.510 1.00 0.00 O ATOM 428 CB GLU A 30 -14.910 -8.051 0.361 1.00 0.00 C ATOM 429 CG GLU A 30 -15.768 -6.787 0.220 1.00 0.00 C ATOM 430 CD GLU A 30 -16.848 -6.626 1.296 1.00 0.00 C ATOM 431 OE1 GLU A 30 -17.279 -7.634 1.902 1.00 0.00 O ATOM 432 OE2 GLU A 30 -17.314 -5.472 1.470 1.00 0.00 O ATOM 0 H GLU A 30 -12.523 -8.442 0.895 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.224 -8.957 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.568 -8.920 0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.428 -8.035 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.114 -5.915 0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.247 -6.796 -0.759 1.00 0.00 H new ATOM 439 N LEU A 31 -12.406 -6.287 -1.302 1.00 0.00 N ATOM 440 CA LEU A 31 -11.960 -5.107 -2.031 1.00 0.00 C ATOM 441 C LEU A 31 -10.977 -5.524 -3.114 1.00 0.00 C ATOM 442 O LEU A 31 -11.076 -5.049 -4.245 1.00 0.00 O ATOM 443 CB LEU A 31 -11.256 -4.121 -1.081 1.00 0.00 C ATOM 444 CG LEU A 31 -12.086 -3.730 0.163 1.00 0.00 C ATOM 445 CD1 LEU A 31 -11.240 -2.973 1.173 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.254 -2.818 -0.210 1.00 0.00 C ATOM 0 H LEU A 31 -11.784 -6.533 -0.532 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.831 -4.623 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.315 -4.562 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.007 -3.216 -1.635 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.451 -4.664 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.851 -2.712 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.408 -3.600 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.853 -2.063 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.817 -2.562 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.872 -1.907 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.908 -3.333 -0.914 1.00 0.00 H new ATOM 458 N LEU A 32 -9.997 -6.355 -2.747 1.00 0.00 N ATOM 459 CA LEU A 32 -8.987 -6.861 -3.656 1.00 0.00 C ATOM 460 C LEU A 32 -9.578 -8.045 -4.417 1.00 0.00 C ATOM 461 O LEU A 32 -10.361 -8.810 -3.855 1.00 0.00 O ATOM 462 CB LEU A 32 -7.728 -7.334 -2.911 1.00 0.00 C ATOM 463 CG LEU A 32 -7.219 -6.529 -1.702 1.00 0.00 C ATOM 464 CD1 LEU A 32 -5.879 -7.097 -1.253 1.00 0.00 C ATOM 465 CD2 LEU A 32 -7.069 -5.031 -1.944 1.00 0.00 C ATOM 0 H LEU A 32 -9.889 -6.696 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.696 -6.055 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.912 -8.353 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.917 -7.382 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.985 -6.631 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.513 -6.531 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.003 -8.143 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.161 -7.024 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.705 -4.550 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.358 -4.863 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.036 -4.608 -2.216 1.00 0.00 H new ATOM 477 N VAL A 33 -9.175 -8.231 -5.671 1.00 0.00 N ATOM 478 CA VAL A 33 -9.818 -9.167 -6.585 1.00 0.00 C ATOM 479 C VAL A 33 -8.769 -9.874 -7.436 1.00 0.00 C ATOM 480 O VAL A 33 -8.897 -11.071 -7.699 1.00 0.00 O ATOM 481 CB VAL A 33 -10.844 -8.407 -7.453 1.00 0.00 C ATOM 482 CG1 VAL A 33 -11.603 -9.356 -8.385 1.00 0.00 C ATOM 483 CG2 VAL A 33 -11.876 -7.653 -6.598 1.00 0.00 C ATOM 0 H VAL A 33 -8.387 -7.732 -6.083 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.349 -9.934 -6.021 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.266 -7.692 -8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.317 -8.787 -8.981 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.897 -9.858 -9.046 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.136 -10.099 -7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.578 -7.133 -7.250 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.419 -8.362 -5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.364 -6.929 -5.964 1.00 0.00 H new ATOM 493 N HIS A 34 -7.711 -9.176 -7.843 1.00 0.00 N ATOM 494 CA HIS A 34 -6.681 -9.703 -8.715 1.00 0.00 C ATOM 495 C HIS A 34 -5.312 -9.466 -8.104 1.00 0.00 C ATOM 496 O HIS A 34 -5.114 -8.555 -7.300 1.00 0.00 O ATOM 497 CB HIS A 34 -6.782 -9.030 -10.085 1.00 0.00 C ATOM 498 CG HIS A 34 -8.088 -9.283 -10.788 1.00 0.00 C ATOM 499 ND1 HIS A 34 -8.658 -10.513 -11.028 1.00 0.00 N ATOM 500 CD2 HIS A 34 -8.929 -8.326 -11.283 1.00 0.00 C ATOM 501 CE1 HIS A 34 -9.812 -10.301 -11.683 1.00 0.00 C ATOM 502 NE2 HIS A 34 -10.000 -8.985 -11.890 1.00 0.00 N ATOM 0 H HIS A 34 -7.549 -8.208 -7.566 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.821 -10.777 -8.837 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.647 -7.955 -9.963 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.966 -9.384 -10.715 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.791 -7.257 -11.217 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -10.493 -11.078 -11.999 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.775 -8.552 -12.393 1.00 0.00 H new ATOM 510 N SER A 35 -4.351 -10.283 -8.520 1.00 0.00 N ATOM 511 CA SER A 35 -2.958 -10.148 -8.150 1.00 0.00 C ATOM 512 C SER A 35 -2.490 -8.734 -8.459 1.00 0.00 C ATOM 513 O SER A 35 -2.539 -8.282 -9.608 1.00 0.00 O ATOM 514 CB SER A 35 -2.133 -11.200 -8.890 1.00 0.00 C ATOM 515 OG SER A 35 -1.575 -12.114 -7.974 1.00 0.00 O ATOM 0 H SER A 35 -4.529 -11.074 -9.138 1.00 0.00 H new ATOM 0 HA SER A 35 -2.828 -10.316 -7.081 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.763 -11.729 -9.605 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.340 -10.716 -9.460 1.00 0.00 H new ATOM 0 HG SER A 35 -0.736 -11.752 -7.621 1.00 0.00 H new ATOM 521 N GLY A 36 -2.053 -8.037 -7.417 1.00 0.00 N ATOM 522 CA GLY A 36 -1.543 -6.692 -7.512 1.00 0.00 C ATOM 523 C GLY A 36 -2.456 -5.651 -6.908 1.00 0.00 C ATOM 524 O GLY A 36 -1.960 -4.544 -6.724 1.00 0.00 O ATOM 0 H GLY A 36 -2.047 -8.407 -6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.574 -6.645 -7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.375 -6.450 -8.561 1.00 0.00 H new ATOM 528 N ASP A 37 -3.730 -5.967 -6.644 1.00 0.00 N ATOM 529 CA ASP A 37 -4.654 -5.094 -5.918 1.00 0.00 C ATOM 530 C ASP A 37 -4.088 -4.924 -4.522 1.00 0.00 C ATOM 531 O ASP A 37 -3.783 -5.925 -3.867 1.00 0.00 O ATOM 532 CB ASP A 37 -6.071 -5.694 -5.805 1.00 0.00 C ATOM 533 CG ASP A 37 -6.942 -5.476 -7.038 1.00 0.00 C ATOM 534 OD1 ASP A 37 -6.875 -4.384 -7.646 1.00 0.00 O ATOM 535 OD2 ASP A 37 -7.717 -6.404 -7.351 1.00 0.00 O ATOM 0 H ASP A 37 -4.152 -6.849 -6.934 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.747 -4.151 -6.456 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.986 -6.765 -5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.570 -5.258 -4.940 1.00 0.00 H new ATOM 540 N PHE A 38 -3.970 -3.688 -4.041 1.00 0.00 N ATOM 541 CA PHE A 38 -3.550 -3.401 -2.678 1.00 0.00 C ATOM 542 C PHE A 38 -4.389 -2.271 -2.079 1.00 0.00 C ATOM 543 O PHE A 38 -5.115 -1.575 -2.796 1.00 0.00 O ATOM 544 CB PHE A 38 -2.037 -3.121 -2.649 1.00 0.00 C ATOM 545 CG PHE A 38 -1.609 -1.833 -3.320 1.00 0.00 C ATOM 546 CD1 PHE A 38 -1.657 -0.598 -2.644 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.207 -1.868 -4.663 1.00 0.00 C ATOM 548 CE1 PHE A 38 -1.334 0.594 -3.315 1.00 0.00 C ATOM 549 CE2 PHE A 38 -0.991 -0.669 -5.352 1.00 0.00 C ATOM 550 CZ PHE A 38 -1.027 0.562 -4.684 1.00 0.00 C ATOM 0 H PHE A 38 -4.166 -2.853 -4.594 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.725 -4.271 -2.045 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.707 -3.098 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.520 -3.952 -3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.944 -0.567 -1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.065 -2.815 -5.163 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.322 1.531 -2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.794 -0.693 -6.414 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.820 1.478 -5.218 1.00 0.00 H new ATOM 560 N LEU A 39 -4.313 -2.113 -0.752 1.00 0.00 N ATOM 561 CA LEU A 39 -4.957 -1.054 0.020 1.00 0.00 C ATOM 562 C LEU A 39 -4.156 -0.835 1.289 1.00 0.00 C ATOM 563 O LEU A 39 -3.595 -1.782 1.851 1.00 0.00 O ATOM 564 CB LEU A 39 -6.411 -1.391 0.379 1.00 0.00 C ATOM 565 CG LEU A 39 -6.612 -2.440 1.499 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.845 -1.774 2.843 1.00 0.00 C ATOM 567 CD2 LEU A 39 -7.809 -3.328 1.191 1.00 0.00 C ATOM 0 H LEU A 39 -3.776 -2.751 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.982 -0.152 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.912 -0.470 0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.912 -1.750 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.702 -3.039 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.983 -2.538 3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.984 -1.156 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.736 -1.149 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.935 -4.059 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.707 -2.715 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.644 -3.847 0.247 1.00 0.00 H new ATOM 579 N VAL A 40 -4.065 0.403 1.742 1.00 0.00 N ATOM 580 CA VAL A 40 -3.402 0.726 2.992 1.00 0.00 C ATOM 581 C VAL A 40 -4.499 0.979 4.006 1.00 0.00 C ATOM 582 O VAL A 40 -5.455 1.717 3.754 1.00 0.00 O ATOM 583 CB VAL A 40 -2.397 1.873 2.842 1.00 0.00 C ATOM 584 CG1 VAL A 40 -1.639 2.068 4.158 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.371 1.540 1.749 1.00 0.00 C ATOM 0 H VAL A 40 -4.449 1.212 1.253 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.778 -0.098 3.337 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.945 2.777 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.925 2.884 4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.345 2.308 4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.106 1.151 4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.663 2.363 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.835 0.630 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.886 1.391 0.800 1.00 0.00 H new ATOM 595 N ARG A 41 -4.377 0.269 5.119 1.00 0.00 N ATOM 596 CA ARG A 41 -5.311 0.250 6.231 1.00 0.00 C ATOM 597 C ARG A 41 -4.508 0.536 7.500 1.00 0.00 C ATOM 598 O ARG A 41 -3.283 0.420 7.477 1.00 0.00 O ATOM 599 CB ARG A 41 -5.996 -1.127 6.290 1.00 0.00 C ATOM 600 CG ARG A 41 -5.010 -2.268 6.573 1.00 0.00 C ATOM 601 CD ARG A 41 -5.554 -3.642 6.178 1.00 0.00 C ATOM 602 NE ARG A 41 -6.123 -4.329 7.336 1.00 0.00 N ATOM 603 CZ ARG A 41 -5.725 -5.492 7.851 1.00 0.00 C ATOM 604 NH1 ARG A 41 -4.949 -6.336 7.171 1.00 0.00 N ATOM 605 NH2 ARG A 41 -6.109 -5.778 9.085 1.00 0.00 N ATOM 0 H ARG A 41 -3.577 -0.344 5.277 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.093 1.001 6.120 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.762 -1.114 7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.503 -1.317 5.344 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.083 -2.082 6.032 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.764 -2.273 7.635 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.316 -3.528 5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.754 -4.245 5.749 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.907 -3.870 7.799 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.642 -6.099 6.227 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.662 -7.219 7.594 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.688 -5.118 9.605 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.826 -6.658 9.516 1.00 0.00 H new ATOM 619 N GLU A 42 -5.165 0.761 8.628 1.00 0.00 N ATOM 620 CA GLU A 42 -4.558 1.050 9.922 1.00 0.00 C ATOM 621 C GLU A 42 -4.936 -0.065 10.900 1.00 0.00 C ATOM 622 O GLU A 42 -5.995 -0.685 10.753 1.00 0.00 O ATOM 623 CB GLU A 42 -4.993 2.459 10.354 1.00 0.00 C ATOM 624 CG GLU A 42 -4.395 2.911 11.699 1.00 0.00 C ATOM 625 CD GLU A 42 -5.424 3.087 12.829 1.00 0.00 C ATOM 626 OE1 GLU A 42 -6.535 2.497 12.804 1.00 0.00 O ATOM 627 OE2 GLU A 42 -5.124 3.866 13.765 1.00 0.00 O ATOM 0 H GLU A 42 -6.184 0.747 8.670 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.469 1.061 9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.704 3.171 9.581 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.080 2.488 10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.650 2.181 12.014 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.873 3.856 11.550 1.00 0.00 H new ATOM 634 N SER A 43 -4.036 -0.390 11.831 1.00 0.00 N ATOM 635 CA SER A 43 -4.140 -1.474 12.807 1.00 0.00 C ATOM 636 C SER A 43 -5.205 -1.180 13.876 1.00 0.00 C ATOM 637 O SER A 43 -5.859 -0.142 13.860 1.00 0.00 O ATOM 638 CB SER A 43 -2.762 -1.690 13.442 1.00 0.00 C ATOM 639 OG SER A 43 -2.636 -3.004 13.955 1.00 0.00 O ATOM 0 H SER A 43 -3.163 0.129 11.928 1.00 0.00 H new ATOM 0 HA SER A 43 -4.459 -2.384 12.299 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.984 -1.510 12.700 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.611 -0.967 14.244 1.00 0.00 H new ATOM 0 HG SER A 43 -1.747 -3.116 14.353 1.00 0.00 H new ATOM 645 N GLN A 44 -5.431 -2.105 14.809 1.00 0.00 N ATOM 646 CA GLN A 44 -6.429 -1.953 15.865 1.00 0.00 C ATOM 647 C GLN A 44 -5.937 -1.002 16.957 1.00 0.00 C ATOM 648 O GLN A 44 -5.342 -1.438 17.944 1.00 0.00 O ATOM 649 CB GLN A 44 -6.866 -3.315 16.424 1.00 0.00 C ATOM 650 CG GLN A 44 -5.749 -4.314 16.774 1.00 0.00 C ATOM 651 CD GLN A 44 -6.362 -5.604 17.303 1.00 0.00 C ATOM 652 OE1 GLN A 44 -7.021 -6.337 16.566 1.00 0.00 O ATOM 653 NE2 GLN A 44 -6.143 -5.950 18.560 1.00 0.00 N ATOM 0 H GLN A 44 -4.922 -2.988 14.852 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.317 -1.498 15.427 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.458 -3.139 17.322 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.526 -3.785 15.695 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.144 -4.522 15.891 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.083 -3.883 17.522 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.597 -5.341 19.169 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.520 -6.826 18.921 1.00 0.00 H new ATOM 662 N GLY A 45 -6.197 0.298 16.819 1.00 0.00 N ATOM 663 CA GLY A 45 -5.888 1.273 17.860 1.00 0.00 C ATOM 664 C GLY A 45 -4.402 1.585 17.951 1.00 0.00 C ATOM 665 O GLY A 45 -3.984 2.250 18.897 1.00 0.00 O ATOM 0 H GLY A 45 -6.626 0.702 15.986 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.437 2.194 17.664 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.235 0.894 18.821 1.00 0.00 H new ATOM 669 N LYS A 46 -3.600 1.061 17.022 1.00 0.00 N ATOM 670 CA LYS A 46 -2.212 1.429 16.833 1.00 0.00 C ATOM 671 C LYS A 46 -2.215 2.191 15.527 1.00 0.00 C ATOM 672 O LYS A 46 -2.766 1.691 14.543 1.00 0.00 O ATOM 673 CB LYS A 46 -1.274 0.206 16.770 1.00 0.00 C ATOM 674 CG LYS A 46 -1.549 -0.899 17.801 1.00 0.00 C ATOM 675 CD LYS A 46 -1.531 -0.385 19.245 1.00 0.00 C ATOM 676 CE LYS A 46 -1.875 -1.488 20.242 1.00 0.00 C ATOM 677 NZ LYS A 46 -2.153 -0.910 21.569 1.00 0.00 N ATOM 0 H LYS A 46 -3.917 0.348 16.365 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.831 2.016 17.669 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.341 -0.229 15.773 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.248 0.551 16.900 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.519 -1.350 17.593 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.802 -1.685 17.691 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.545 0.019 19.475 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.243 0.434 19.349 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.743 -2.046 19.892 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.048 -2.195 20.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.386 -1.672 22.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.314 -0.397 21.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.956 -0.253 21.500 1.00 0.00 H new ATOM 691 N GLN A 47 -1.624 3.378 15.531 1.00 0.00 N ATOM 692 CA GLN A 47 -1.452 4.276 14.400 1.00 0.00 C ATOM 693 C GLN A 47 -0.365 3.703 13.477 1.00 0.00 C ATOM 694 O GLN A 47 0.611 4.371 13.136 1.00 0.00 O ATOM 695 CB GLN A 47 -1.080 5.667 14.948 1.00 0.00 C ATOM 696 CG GLN A 47 -2.139 6.249 15.899 1.00 0.00 C ATOM 697 CD GLN A 47 -1.610 7.492 16.602 1.00 0.00 C ATOM 698 OE1 GLN A 47 -1.719 8.607 16.101 1.00 0.00 O ATOM 699 NE2 GLN A 47 -1.026 7.355 17.784 1.00 0.00 N ATOM 0 H GLN A 47 -1.224 3.765 16.386 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.366 4.372 13.814 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.127 5.600 15.473 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.936 6.352 14.113 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.040 6.498 15.338 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.421 5.500 16.639 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.934 6.430 18.203 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.669 8.175 18.274 1.00 0.00 H new ATOM 708 N GLU A 48 -0.472 2.424 13.146 1.00 0.00 N ATOM 709 CA GLU A 48 0.479 1.629 12.407 1.00 0.00 C ATOM 710 C GLU A 48 -0.295 1.055 11.245 1.00 0.00 C ATOM 711 O GLU A 48 -1.348 0.431 11.416 1.00 0.00 O ATOM 712 CB GLU A 48 1.074 0.583 13.345 1.00 0.00 C ATOM 713 CG GLU A 48 1.783 -0.596 12.677 1.00 0.00 C ATOM 714 CD GLU A 48 2.589 -1.378 13.724 1.00 0.00 C ATOM 715 OE1 GLU A 48 2.007 -2.065 14.597 1.00 0.00 O ATOM 716 OE2 GLU A 48 3.832 -1.243 13.769 1.00 0.00 O ATOM 0 H GLU A 48 -1.293 1.880 13.411 1.00 0.00 H new ATOM 0 HA GLU A 48 1.330 2.189 12.018 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.784 1.080 14.006 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.274 0.191 13.973 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.052 -1.251 12.204 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.445 -0.236 11.890 1.00 0.00 H new ATOM 723 N TYR A 49 0.175 1.396 10.060 1.00 0.00 N ATOM 724 CA TYR A 49 -0.484 1.017 8.833 1.00 0.00 C ATOM 725 C TYR A 49 -0.081 -0.404 8.459 1.00 0.00 C ATOM 726 O TYR A 49 0.927 -0.958 8.908 1.00 0.00 O ATOM 727 CB TYR A 49 -0.180 2.017 7.706 1.00 0.00 C ATOM 728 CG TYR A 49 -0.668 3.434 7.933 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.009 3.685 8.268 1.00 0.00 C ATOM 730 CD2 TYR A 49 0.227 4.510 7.787 1.00 0.00 C ATOM 731 CE1 TYR A 49 -2.423 5.000 8.563 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.188 5.825 8.035 1.00 0.00 C ATOM 733 CZ TYR A 49 -1.511 6.077 8.457 1.00 0.00 C ATOM 734 OH TYR A 49 -1.921 7.350 8.696 1.00 0.00 O ATOM 0 H TYR A 49 1.025 1.944 9.925 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.563 1.040 8.984 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.899 2.045 7.551 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.625 1.643 6.784 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.721 2.873 8.299 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.245 4.320 7.480 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.441 5.186 8.871 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.503 6.644 7.903 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.166 7.964 8.579 1.00 0.00 H new ATOM 744 N VAL A 50 -0.872 -0.997 7.583 1.00 0.00 N ATOM 745 CA VAL A 50 -0.697 -2.325 7.049 1.00 0.00 C ATOM 746 C VAL A 50 -0.897 -2.186 5.547 1.00 0.00 C ATOM 747 O VAL A 50 -1.906 -1.646 5.086 1.00 0.00 O ATOM 748 CB VAL A 50 -1.735 -3.259 7.689 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.773 -4.637 7.016 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.550 -3.500 9.184 1.00 0.00 C ATOM 0 H VAL A 50 -1.699 -0.534 7.207 1.00 0.00 H new ATOM 0 HA VAL A 50 0.283 -2.752 7.260 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.669 -2.717 7.538 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.522 -5.260 7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.029 -4.521 5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.795 -5.111 7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.330 -4.171 9.544 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.573 -3.950 9.362 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.614 -2.551 9.716 1.00 0.00 H new ATOM 760 N LEU A 51 0.058 -2.701 4.785 1.00 0.00 N ATOM 761 CA LEU A 51 -0.116 -3.038 3.393 1.00 0.00 C ATOM 762 C LEU A 51 -0.955 -4.313 3.361 1.00 0.00 C ATOM 763 O LEU A 51 -0.588 -5.302 4.003 1.00 0.00 O ATOM 764 CB LEU A 51 1.272 -3.283 2.774 1.00 0.00 C ATOM 765 CG LEU A 51 1.271 -3.078 1.260 1.00 0.00 C ATOM 766 CD1 LEU A 51 1.319 -1.588 0.909 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.492 -3.722 0.631 1.00 0.00 C ATOM 0 H LEU A 51 0.996 -2.898 5.134 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.608 -2.246 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.996 -2.608 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.596 -4.299 3.002 1.00 0.00 H new ATOM 0 HG LEU A 51 0.355 -3.531 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.317 -1.469 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.448 -1.087 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.226 -1.146 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.472 -3.564 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.395 -3.274 1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.488 -4.791 0.841 1.00 0.00 H new ATOM 779 N SER A 52 -2.077 -4.346 2.649 1.00 0.00 N ATOM 780 CA SER A 52 -2.748 -5.600 2.340 1.00 0.00 C ATOM 781 C SER A 52 -2.941 -5.675 0.835 1.00 0.00 C ATOM 782 O SER A 52 -3.453 -4.733 0.240 1.00 0.00 O ATOM 783 CB SER A 52 -4.021 -5.753 3.168 1.00 0.00 C ATOM 784 OG SER A 52 -3.637 -5.917 4.523 1.00 0.00 O ATOM 0 H SER A 52 -2.540 -3.517 2.276 1.00 0.00 H new ATOM 0 HA SER A 52 -2.143 -6.461 2.625 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.659 -4.876 3.055 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.598 -6.613 2.827 1.00 0.00 H new ATOM 0 HG SER A 52 -3.518 -6.870 4.716 1.00 0.00 H new ATOM 790 N VAL A 53 -2.421 -6.743 0.228 1.00 0.00 N ATOM 791 CA VAL A 53 -2.169 -6.854 -1.202 1.00 0.00 C ATOM 792 C VAL A 53 -2.447 -8.296 -1.627 1.00 0.00 C ATOM 793 O VAL A 53 -2.028 -9.234 -0.948 1.00 0.00 O ATOM 794 CB VAL A 53 -0.738 -6.364 -1.524 1.00 0.00 C ATOM 795 CG1 VAL A 53 0.341 -6.982 -0.620 1.00 0.00 C ATOM 796 CG2 VAL A 53 -0.358 -6.585 -2.997 1.00 0.00 C ATOM 0 H VAL A 53 -2.155 -7.583 0.742 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.834 -6.213 -1.780 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.767 -5.293 -1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.319 -6.593 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.135 -6.726 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.335 -8.066 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.656 -6.224 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.409 -7.649 -3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.051 -6.040 -3.637 1.00 0.00 H new ATOM 806 N LEU A 54 -3.236 -8.477 -2.682 1.00 0.00 N ATOM 807 CA LEU A 54 -3.644 -9.765 -3.211 1.00 0.00 C ATOM 808 C LEU A 54 -2.464 -10.268 -4.020 1.00 0.00 C ATOM 809 O LEU A 54 -2.058 -9.596 -4.968 1.00 0.00 O ATOM 810 CB LEU A 54 -4.900 -9.569 -4.058 1.00 0.00 C ATOM 811 CG LEU A 54 -5.666 -10.847 -4.440 1.00 0.00 C ATOM 812 CD1 LEU A 54 -4.825 -11.911 -5.113 1.00 0.00 C ATOM 813 CD2 LEU A 54 -6.470 -11.400 -3.261 1.00 0.00 C ATOM 0 H LEU A 54 -3.622 -7.695 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.896 -10.494 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.580 -8.911 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.618 -9.051 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.373 -10.535 -5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.448 -12.774 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.401 -11.511 -6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.019 -12.215 -4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.997 -12.302 -3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.794 -11.638 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.193 -10.653 -2.931 1.00 0.00 H new ATOM 825 N TRP A 55 -1.934 -11.440 -3.681 1.00 0.00 N ATOM 826 CA TRP A 55 -0.982 -12.140 -4.518 1.00 0.00 C ATOM 827 C TRP A 55 -1.459 -13.582 -4.665 1.00 0.00 C ATOM 828 O TRP A 55 -1.385 -14.370 -3.722 1.00 0.00 O ATOM 829 CB TRP A 55 0.432 -11.979 -3.947 1.00 0.00 C ATOM 830 CG TRP A 55 1.530 -11.998 -4.969 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.664 -12.733 -4.903 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.658 -11.177 -6.172 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.440 -12.481 -6.022 1.00 0.00 N ATOM 834 CE2 TRP A 55 2.899 -11.480 -6.799 1.00 0.00 C ATOM 835 CE3 TRP A 55 0.885 -10.152 -6.761 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.362 -10.774 -7.918 1.00 0.00 C ATOM 837 CZ3 TRP A 55 1.301 -9.497 -7.935 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.537 -9.815 -8.516 1.00 0.00 C ATOM 0 H TRP A 55 -2.158 -11.927 -2.813 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.926 -11.721 -5.523 1.00 0.00 H new ATOM 0 HB2 TRP A 55 0.482 -11.039 -3.398 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.611 -12.778 -3.227 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.923 -13.410 -4.103 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.304 -12.975 -6.243 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.048 -9.864 -6.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.347 -10.969 -8.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.668 -8.749 -8.389 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.852 -9.321 -9.423 1.00 0.00 H new ATOM 849 N ASP A 56 -1.986 -13.916 -5.844 1.00 0.00 N ATOM 850 CA ASP A 56 -2.482 -15.235 -6.233 1.00 0.00 C ATOM 851 C ASP A 56 -3.553 -15.715 -5.243 1.00 0.00 C ATOM 852 O ASP A 56 -3.438 -16.727 -4.553 1.00 0.00 O ATOM 853 CB ASP A 56 -1.286 -16.167 -6.461 1.00 0.00 C ATOM 854 CG ASP A 56 -1.662 -17.640 -6.589 1.00 0.00 C ATOM 855 OD1 ASP A 56 -2.399 -17.989 -7.539 1.00 0.00 O ATOM 856 OD2 ASP A 56 -1.178 -18.421 -5.735 1.00 0.00 O ATOM 0 H ASP A 56 -2.083 -13.233 -6.595 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.010 -15.212 -7.186 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.764 -15.856 -7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.586 -16.052 -5.633 1.00 0.00 H new ATOM 861 N GLY A 57 -4.623 -14.924 -5.161 1.00 0.00 N ATOM 862 CA GLY A 57 -5.836 -15.149 -4.391 1.00 0.00 C ATOM 863 C GLY A 57 -5.639 -14.980 -2.896 1.00 0.00 C ATOM 864 O GLY A 57 -6.586 -15.197 -2.138 1.00 0.00 O ATOM 0 H GLY A 57 -4.662 -14.042 -5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.606 -14.456 -4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.203 -16.156 -4.590 1.00 0.00 H new ATOM 868 N LEU A 58 -4.440 -14.583 -2.470 1.00 0.00 N ATOM 869 CA LEU A 58 -4.089 -14.464 -1.063 1.00 0.00 C ATOM 870 C LEU A 58 -3.811 -12.998 -0.744 1.00 0.00 C ATOM 871 O LEU A 58 -2.760 -12.493 -1.139 1.00 0.00 O ATOM 872 CB LEU A 58 -2.898 -15.373 -0.722 1.00 0.00 C ATOM 873 CG LEU A 58 -2.735 -15.724 0.769 1.00 0.00 C ATOM 874 CD1 LEU A 58 -2.494 -14.520 1.689 1.00 0.00 C ATOM 875 CD2 LEU A 58 -3.929 -16.535 1.276 1.00 0.00 C ATOM 0 H LEU A 58 -3.680 -14.333 -3.103 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.920 -14.797 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.998 -16.300 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.984 -14.888 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.827 -16.325 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.391 -14.863 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.582 -14.007 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.337 -13.833 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.788 -16.769 2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.843 -15.954 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.008 -17.461 0.706 1.00 0.00 H new ATOM 887 N PRO A 59 -4.706 -12.304 -0.026 1.00 0.00 N ATOM 888 CA PRO A 59 -4.467 -10.961 0.487 1.00 0.00 C ATOM 889 C PRO A 59 -3.403 -10.996 1.597 1.00 0.00 C ATOM 890 O PRO A 59 -3.725 -11.038 2.791 1.00 0.00 O ATOM 891 CB PRO A 59 -5.833 -10.484 0.976 1.00 0.00 C ATOM 892 CG PRO A 59 -6.496 -11.774 1.431 1.00 0.00 C ATOM 893 CD PRO A 59 -5.977 -12.814 0.459 1.00 0.00 C ATOM 0 HA PRO A 59 -4.069 -10.275 -0.261 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.743 -9.766 1.791 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.399 -9.996 0.183 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.229 -12.019 2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.583 -11.699 1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.849 -13.779 0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.677 -12.965 -0.363 1.00 0.00 H new ATOM 901 N ARG A 60 -2.126 -11.018 1.210 1.00 0.00 N ATOM 902 CA ARG A 60 -1.001 -10.968 2.131 1.00 0.00 C ATOM 903 C ARG A 60 -1.075 -9.673 2.931 1.00 0.00 C ATOM 904 O ARG A 60 -1.612 -8.675 2.447 1.00 0.00 O ATOM 905 CB ARG A 60 0.320 -11.003 1.361 1.00 0.00 C ATOM 906 CG ARG A 60 0.534 -12.243 0.480 1.00 0.00 C ATOM 907 CD ARG A 60 0.949 -13.452 1.339 1.00 0.00 C ATOM 908 NE ARG A 60 0.773 -14.772 0.694 1.00 0.00 N ATOM 909 CZ ARG A 60 1.065 -15.146 -0.557 1.00 0.00 C ATOM 910 NH1 ARG A 60 1.809 -14.383 -1.349 1.00 0.00 N ATOM 911 NH2 ARG A 60 0.611 -16.296 -1.033 1.00 0.00 N ATOM 0 H ARG A 60 -1.846 -11.072 0.231 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.047 -11.830 2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.378 -10.116 0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.140 -10.940 2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.383 -12.473 -0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.303 -12.038 -0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.997 -13.338 1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.371 -13.437 2.263 1.00 0.00 H new ATOM 0 HE ARG A 60 0.373 -15.499 1.287 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.170 -13.492 -1.007 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.020 -14.687 -2.299 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.036 -16.900 -0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.836 -16.577 -1.987 1.00 0.00 H new ATOM 925 N HIS A 61 -0.479 -9.658 4.120 1.00 0.00 N ATOM 926 CA HIS A 61 -0.494 -8.504 5.014 1.00 0.00 C ATOM 927 C HIS A 61 0.915 -8.195 5.526 1.00 0.00 C ATOM 928 O HIS A 61 1.439 -8.863 6.423 1.00 0.00 O ATOM 929 CB HIS A 61 -1.528 -8.699 6.133 1.00 0.00 C ATOM 930 CG HIS A 61 -1.446 -10.021 6.851 1.00 0.00 C ATOM 931 ND1 HIS A 61 -0.507 -10.384 7.785 1.00 0.00 N ATOM 932 CD2 HIS A 61 -2.229 -11.113 6.602 1.00 0.00 C ATOM 933 CE1 HIS A 61 -0.732 -11.665 8.108 1.00 0.00 C ATOM 934 NE2 HIS A 61 -1.793 -12.151 7.433 1.00 0.00 N ATOM 0 H HIS A 61 0.034 -10.456 4.494 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.812 -7.622 4.458 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.407 -7.898 6.862 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.526 -8.595 5.707 1.00 0.00 H new ATOM 0 HD1 HIS A 61 0.228 -9.787 8.164 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.040 -11.166 5.891 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.143 -12.232 8.814 1.00 0.00 H new ATOM 942 N PHE A 62 1.550 -7.179 4.947 1.00 0.00 N ATOM 943 CA PHE A 62 2.854 -6.691 5.362 1.00 0.00 C ATOM 944 C PHE A 62 2.602 -5.402 6.148 1.00 0.00 C ATOM 945 O PHE A 62 2.044 -4.457 5.602 1.00 0.00 O ATOM 946 CB PHE A 62 3.778 -6.522 4.137 1.00 0.00 C ATOM 947 CG PHE A 62 3.792 -7.713 3.183 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.617 -8.834 3.413 1.00 0.00 C ATOM 949 CD2 PHE A 62 2.936 -7.714 2.067 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.551 -9.957 2.562 1.00 0.00 C ATOM 951 CE2 PHE A 62 2.881 -8.828 1.214 1.00 0.00 C ATOM 952 CZ PHE A 62 3.666 -9.968 1.467 1.00 0.00 C ATOM 0 H PHE A 62 1.160 -6.663 4.158 1.00 0.00 H new ATOM 0 HA PHE A 62 3.383 -7.393 6.007 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.469 -5.635 3.585 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.794 -6.342 4.487 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.304 -8.832 4.246 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.317 -6.852 1.865 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.182 -10.813 2.751 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.228 -8.810 0.354 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.591 -10.838 0.831 1.00 0.00 H new ATOM 962 N ILE A 63 2.933 -5.349 7.442 1.00 0.00 N ATOM 963 CA ILE A 63 2.878 -4.097 8.207 1.00 0.00 C ATOM 964 C ILE A 63 3.730 -3.058 7.469 1.00 0.00 C ATOM 965 O ILE A 63 4.773 -3.409 6.900 1.00 0.00 O ATOM 966 CB ILE A 63 3.325 -4.352 9.665 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.190 -5.047 10.458 1.00 0.00 C ATOM 968 CG2 ILE A 63 3.801 -3.081 10.386 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.163 -4.090 11.093 1.00 0.00 C ATOM 0 H ILE A 63 3.242 -6.157 7.982 1.00 0.00 H new ATOM 0 HA ILE A 63 1.863 -3.706 8.275 1.00 0.00 H new ATOM 0 HB ILE A 63 4.191 -5.013 9.619 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.665 -5.729 9.790 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.636 -5.653 11.246 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.100 -3.331 11.404 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.651 -2.656 9.852 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.990 -2.353 10.414 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.408 -4.668 11.626 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.670 -3.423 11.791 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.683 -3.501 10.312 1.00 0.00 H new ATOM 981 N ILE A 64 3.267 -1.808 7.420 1.00 0.00 N ATOM 982 CA ILE A 64 3.999 -0.741 6.761 1.00 0.00 C ATOM 983 C ILE A 64 5.298 -0.494 7.519 1.00 0.00 C ATOM 984 O ILE A 64 5.396 -0.619 8.742 1.00 0.00 O ATOM 985 CB ILE A 64 3.124 0.517 6.610 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.946 0.248 5.651 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.885 1.780 6.181 1.00 0.00 C ATOM 988 CD1 ILE A 64 2.306 0.016 4.192 1.00 0.00 C ATOM 0 H ILE A 64 2.382 -1.515 7.834 1.00 0.00 H new ATOM 0 HA ILE A 64 4.261 -1.032 5.744 1.00 0.00 H new ATOM 0 HB ILE A 64 2.750 0.728 7.612 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.403 -0.625 6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.261 1.094 5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.189 2.615 6.100 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.648 2.015 6.923 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.359 1.608 5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.397 -0.162 3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.818 0.895 3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.961 -0.851 4.112 1.00 0.00 H new ATOM 1000 N GLN A 65 6.303 -0.184 6.714 1.00 0.00 N ATOM 1001 CA GLN A 65 7.695 -0.038 7.077 1.00 0.00 C ATOM 1002 C GLN A 65 7.871 1.118 8.055 1.00 0.00 C ATOM 1003 O GLN A 65 6.972 1.927 8.263 1.00 0.00 O ATOM 1004 CB GLN A 65 8.529 0.219 5.805 1.00 0.00 C ATOM 1005 CG GLN A 65 8.050 -0.599 4.587 1.00 0.00 C ATOM 1006 CD GLN A 65 7.029 0.151 3.736 1.00 0.00 C ATOM 1007 OE1 GLN A 65 5.830 -0.063 3.845 1.00 0.00 O ATOM 1008 NE2 GLN A 65 7.456 1.060 2.877 1.00 0.00 N ATOM 0 H GLN A 65 6.151 -0.017 5.719 1.00 0.00 H new ATOM 0 HA GLN A 65 8.036 -0.954 7.560 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.488 1.280 5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.573 -0.021 6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.909 -0.860 3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.611 -1.534 4.933 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.455 1.242 2.782 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.787 1.579 2.309 1.00 0.00 H new ATOM 1017 N SER A 66 9.077 1.244 8.584 1.00 0.00 N ATOM 1018 CA SER A 66 9.533 2.329 9.416 1.00 0.00 C ATOM 1019 C SER A 66 11.014 2.040 9.633 1.00 0.00 C ATOM 1020 O SER A 66 11.428 0.883 9.757 1.00 0.00 O ATOM 1021 CB SER A 66 8.718 2.325 10.714 1.00 0.00 C ATOM 1022 OG SER A 66 9.213 3.201 11.710 1.00 0.00 O ATOM 0 H SER A 66 9.803 0.545 8.430 1.00 0.00 H new ATOM 0 HA SER A 66 9.403 3.321 8.983 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.688 2.598 10.485 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.697 1.311 11.114 1.00 0.00 H new ATOM 0 HG SER A 66 8.644 3.146 12.506 1.00 0.00 H new ATOM 1028 N LEU A 67 11.817 3.090 9.655 1.00 0.00 N ATOM 1029 CA LEU A 67 13.230 3.050 10.008 1.00 0.00 C ATOM 1030 C LEU A 67 13.546 4.135 11.027 1.00 0.00 C ATOM 1031 O LEU A 67 14.002 3.807 12.122 1.00 0.00 O ATOM 1032 CB LEU A 67 14.165 3.121 8.789 1.00 0.00 C ATOM 1033 CG LEU A 67 13.740 4.064 7.645 1.00 0.00 C ATOM 1034 CD1 LEU A 67 14.949 4.339 6.749 1.00 0.00 C ATOM 1035 CD2 LEU A 67 12.615 3.467 6.794 1.00 0.00 C ATOM 0 H LEU A 67 11.494 4.028 9.420 1.00 0.00 H new ATOM 0 HA LEU A 67 13.421 2.077 10.460 1.00 0.00 H new ATOM 0 HB2 LEU A 67 15.152 3.428 9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 67 14.269 2.116 8.381 1.00 0.00 H new ATOM 0 HG LEU A 67 13.368 4.985 8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.656 5.005 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.738 4.808 7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.315 3.400 6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.349 4.166 6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.951 2.529 6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.743 3.281 7.422 1.00 0.00 H new ATOM 1047 N ASP A 68 13.292 5.397 10.686 1.00 0.00 N ATOM 1048 CA ASP A 68 13.472 6.546 11.567 1.00 0.00 C ATOM 1049 C ASP A 68 12.269 7.453 11.374 1.00 0.00 C ATOM 1050 O ASP A 68 11.374 7.469 12.219 1.00 0.00 O ATOM 1051 CB ASP A 68 14.775 7.290 11.259 1.00 0.00 C ATOM 1052 CG ASP A 68 15.977 6.640 11.939 1.00 0.00 C ATOM 1053 OD1 ASP A 68 16.542 5.695 11.342 1.00 0.00 O ATOM 1054 OD2 ASP A 68 16.408 7.150 13.000 1.00 0.00 O ATOM 0 H ASP A 68 12.945 5.654 9.762 1.00 0.00 H new ATOM 0 HA ASP A 68 13.544 6.217 12.604 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.935 7.310 10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.688 8.326 11.588 1.00 0.00 H new ATOM 1059 N ASN A 69 12.207 8.129 10.221 1.00 0.00 N ATOM 1060 CA ASN A 69 11.170 9.070 9.811 1.00 0.00 C ATOM 1061 C ASN A 69 10.668 8.802 8.385 1.00 0.00 C ATOM 1062 O ASN A 69 10.101 9.680 7.734 1.00 0.00 O ATOM 1063 CB ASN A 69 11.686 10.505 9.990 1.00 0.00 C ATOM 1064 CG ASN A 69 12.812 10.919 9.045 1.00 0.00 C ATOM 1065 OD1 ASN A 69 12.604 11.232 7.875 1.00 0.00 O ATOM 1066 ND2 ASN A 69 14.034 10.950 9.536 1.00 0.00 N ATOM 0 H ASN A 69 12.928 8.023 9.507 1.00 0.00 H new ATOM 0 HA ASN A 69 10.300 8.931 10.453 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.851 11.193 9.856 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.034 10.622 11.016 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.814 11.235 8.944 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.200 10.689 10.508 1.00 0.00 H new ATOM 1073 N LEU A 70 10.971 7.615 7.865 1.00 0.00 N ATOM 1074 CA LEU A 70 10.806 7.219 6.470 1.00 0.00 C ATOM 1075 C LEU A 70 10.120 5.855 6.435 1.00 0.00 C ATOM 1076 O LEU A 70 9.834 5.269 7.478 1.00 0.00 O ATOM 1077 CB LEU A 70 12.177 7.127 5.756 1.00 0.00 C ATOM 1078 CG LEU A 70 13.158 8.295 5.970 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.583 7.840 5.657 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.784 9.508 5.121 1.00 0.00 C ATOM 0 H LEU A 70 11.359 6.864 8.436 1.00 0.00 H new ATOM 0 HA LEU A 70 10.204 7.966 5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.667 6.209 6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.995 7.029 4.686 1.00 0.00 H new ATOM 0 HG LEU A 70 13.099 8.599 7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.272 8.671 5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.855 7.016 6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.640 7.508 4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.499 10.311 5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.802 9.233 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.784 9.846 5.391 1.00 0.00 H new ATOM 1092 N TYR A 71 9.962 5.286 5.241 1.00 0.00 N ATOM 1093 CA TYR A 71 9.391 3.960 5.022 1.00 0.00 C ATOM 1094 C TYR A 71 10.245 3.269 3.952 1.00 0.00 C ATOM 1095 O TYR A 71 10.398 3.839 2.869 1.00 0.00 O ATOM 1096 CB TYR A 71 7.930 4.119 4.541 1.00 0.00 C ATOM 1097 CG TYR A 71 7.143 5.157 5.317 1.00 0.00 C ATOM 1098 CD1 TYR A 71 6.607 4.823 6.569 1.00 0.00 C ATOM 1099 CD2 TYR A 71 7.058 6.482 4.852 1.00 0.00 C ATOM 1100 CE1 TYR A 71 6.030 5.802 7.390 1.00 0.00 C ATOM 1101 CE2 TYR A 71 6.493 7.479 5.667 1.00 0.00 C ATOM 1102 CZ TYR A 71 5.994 7.150 6.950 1.00 0.00 C ATOM 1103 OH TYR A 71 5.521 8.146 7.757 1.00 0.00 O ATOM 0 H TYR A 71 10.236 5.749 4.375 1.00 0.00 H new ATOM 0 HA TYR A 71 9.388 3.364 5.935 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.932 4.391 3.486 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.424 3.157 4.621 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.639 3.797 6.905 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.427 6.734 3.869 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.616 5.532 8.350 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.440 8.498 5.313 1.00 0.00 H new ATOM 0 HH TYR A 71 5.575 9.003 7.285 1.00 0.00 H new ATOM 1113 N ARG A 72 10.820 2.084 4.217 1.00 0.00 N ATOM 1114 CA ARG A 72 11.687 1.345 3.283 1.00 0.00 C ATOM 1115 C ARG A 72 11.241 -0.101 3.161 1.00 0.00 C ATOM 1116 O ARG A 72 11.270 -0.814 4.158 1.00 0.00 O ATOM 1117 CB ARG A 72 13.172 1.427 3.675 1.00 0.00 C ATOM 1118 CG ARG A 72 13.564 0.782 5.017 1.00 0.00 C ATOM 1119 CD ARG A 72 14.255 -0.579 4.883 1.00 0.00 C ATOM 1120 NE ARG A 72 15.708 -0.428 4.706 1.00 0.00 N ATOM 1121 CZ ARG A 72 16.579 -0.150 5.687 1.00 0.00 C ATOM 1122 NH1 ARG A 72 16.181 -0.014 6.947 1.00 0.00 N ATOM 1123 NH2 ARG A 72 17.862 0.008 5.405 1.00 0.00 N ATOM 0 H ARG A 72 10.692 1.602 5.107 1.00 0.00 H new ATOM 0 HA ARG A 72 11.587 1.824 2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.760 0.958 2.886 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.460 2.478 3.704 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.226 1.461 5.554 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.668 0.663 5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.055 -1.179 5.771 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.837 -1.119 4.033 1.00 0.00 H new ATOM 0 HE ARG A 72 16.082 -0.544 3.764 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.195 -0.121 7.185 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.862 0.198 7.677 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.187 -0.082 4.442 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.526 0.220 6.150 1.00 0.00 H new ATOM 1137 N LEU A 73 10.752 -0.507 1.987 1.00 0.00 N ATOM 1138 CA LEU A 73 10.220 -1.869 1.800 1.00 0.00 C ATOM 1139 C LEU A 73 11.191 -2.790 1.083 1.00 0.00 C ATOM 1140 O LEU A 73 11.098 -4.007 1.238 1.00 0.00 O ATOM 1141 CB LEU A 73 8.893 -1.830 1.025 1.00 0.00 C ATOM 1142 CG LEU A 73 8.034 -3.092 1.168 1.00 0.00 C ATOM 1143 CD1 LEU A 73 7.638 -3.475 2.595 1.00 0.00 C ATOM 1144 CD2 LEU A 73 6.751 -2.827 0.398 1.00 0.00 C ATOM 0 H LEU A 73 10.711 0.080 1.154 1.00 0.00 H new ATOM 0 HA LEU A 73 10.059 -2.272 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.314 -0.971 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.109 -1.671 -0.032 1.00 0.00 H new ATOM 0 HG LEU A 73 8.637 -3.921 0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.033 -4.381 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.536 -3.652 3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.062 -2.665 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.099 -3.698 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.244 -1.960 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.988 -2.633 -0.648 1.00 0.00 H new ATOM 1156 N GLU A 74 12.078 -2.203 0.284 1.00 0.00 N ATOM 1157 CA GLU A 74 12.991 -2.927 -0.581 1.00 0.00 C ATOM 1158 C GLU A 74 14.341 -2.195 -0.606 1.00 0.00 C ATOM 1159 O GLU A 74 15.369 -2.735 -0.196 1.00 0.00 O ATOM 1160 CB GLU A 74 12.354 -3.053 -1.980 1.00 0.00 C ATOM 1161 CG GLU A 74 13.192 -3.826 -3.011 1.00 0.00 C ATOM 1162 CD GLU A 74 13.687 -5.186 -2.511 1.00 0.00 C ATOM 1163 OE1 GLU A 74 14.716 -5.212 -1.805 1.00 0.00 O ATOM 1164 OE2 GLU A 74 13.160 -6.244 -2.910 1.00 0.00 O ATOM 0 H GLU A 74 12.180 -1.190 0.222 1.00 0.00 H new ATOM 0 HA GLU A 74 13.175 -3.936 -0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.387 -3.545 -1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.163 -2.052 -2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.596 -3.975 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.052 -3.219 -3.295 1.00 0.00 H new ATOM 1171 N GLY A 75 14.340 -0.943 -1.069 1.00 0.00 N ATOM 1172 CA GLY A 75 15.543 -0.169 -1.331 1.00 0.00 C ATOM 1173 C GLY A 75 15.804 0.884 -0.255 1.00 0.00 C ATOM 1174 O GLY A 75 15.930 0.568 0.933 1.00 0.00 O ATOM 0 H GLY A 75 13.481 -0.433 -1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.398 -0.842 -1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.453 0.321 -2.301 1.00 0.00 H new ATOM 1178 N GLU A 76 15.919 2.145 -0.675 1.00 0.00 N ATOM 1179 CA GLU A 76 15.998 3.309 0.204 1.00 0.00 C ATOM 1180 C GLU A 76 14.667 3.537 0.930 1.00 0.00 C ATOM 1181 O GLU A 76 13.689 2.822 0.693 1.00 0.00 O ATOM 1182 CB GLU A 76 16.431 4.536 -0.619 1.00 0.00 C ATOM 1183 CG GLU A 76 15.367 5.058 -1.598 1.00 0.00 C ATOM 1184 CD GLU A 76 15.925 6.220 -2.415 1.00 0.00 C ATOM 1185 OE1 GLU A 76 15.994 7.354 -1.891 1.00 0.00 O ATOM 1186 OE2 GLU A 76 16.342 5.987 -3.577 1.00 0.00 O ATOM 0 H GLU A 76 15.961 2.390 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 76 16.746 3.135 0.978 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.701 5.340 0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.329 4.281 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.050 4.255 -2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.484 5.382 -1.047 1.00 0.00 H new ATOM 1193 N GLY A 77 14.613 4.533 1.812 1.00 0.00 N ATOM 1194 CA GLY A 77 13.380 4.984 2.431 1.00 0.00 C ATOM 1195 C GLY A 77 12.802 6.176 1.674 1.00 0.00 C ATOM 1196 O GLY A 77 13.559 6.923 1.053 1.00 0.00 O ATOM 0 H GLY A 77 15.437 5.052 2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.655 4.170 2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.568 5.262 3.468 1.00 0.00 H new ATOM 1200 N PHE A 78 11.496 6.427 1.793 1.00 0.00 N ATOM 1201 CA PHE A 78 10.890 7.687 1.365 1.00 0.00 C ATOM 1202 C PHE A 78 10.227 8.359 2.568 1.00 0.00 C ATOM 1203 O PHE A 78 9.780 7.649 3.469 1.00 0.00 O ATOM 1204 CB PHE A 78 9.886 7.475 0.219 1.00 0.00 C ATOM 1205 CG PHE A 78 10.540 7.423 -1.145 1.00 0.00 C ATOM 1206 CD1 PHE A 78 11.061 6.210 -1.633 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.658 8.597 -1.917 1.00 0.00 C ATOM 1208 CE1 PHE A 78 11.671 6.164 -2.897 1.00 0.00 C ATOM 1209 CE2 PHE A 78 11.275 8.552 -3.177 1.00 0.00 C ATOM 1210 CZ PHE A 78 11.776 7.335 -3.667 1.00 0.00 C ATOM 0 H PHE A 78 10.831 5.762 2.188 1.00 0.00 H new ATOM 0 HA PHE A 78 11.672 8.339 0.976 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.341 6.546 0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.153 8.282 0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 78 10.992 5.314 -1.035 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.273 9.532 -1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.059 5.230 -3.277 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.364 9.451 -3.768 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.244 7.299 -4.640 1.00 0.00 H new ATOM 1220 N PRO A 79 10.116 9.698 2.572 1.00 0.00 N ATOM 1221 CA PRO A 79 9.487 10.474 3.639 1.00 0.00 C ATOM 1222 C PRO A 79 7.964 10.340 3.669 1.00 0.00 C ATOM 1223 O PRO A 79 7.339 10.745 4.650 1.00 0.00 O ATOM 1224 CB PRO A 79 9.873 11.929 3.349 1.00 0.00 C ATOM 1225 CG PRO A 79 10.046 11.947 1.834 1.00 0.00 C ATOM 1226 CD PRO A 79 10.634 10.579 1.536 1.00 0.00 C ATOM 0 HA PRO A 79 9.826 10.117 4.611 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.099 12.624 3.674 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.792 12.212 3.863 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.096 12.097 1.322 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.711 12.749 1.514 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.341 10.234 0.545 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.723 10.608 1.554 1.00 0.00 H new ATOM 1234 N SER A 80 7.357 9.827 2.599 1.00 0.00 N ATOM 1235 CA SER A 80 5.925 9.619 2.486 1.00 0.00 C ATOM 1236 C SER A 80 5.719 8.218 1.933 1.00 0.00 C ATOM 1237 O SER A 80 6.573 7.697 1.213 1.00 0.00 O ATOM 1238 CB SER A 80 5.300 10.704 1.600 1.00 0.00 C ATOM 1239 OG SER A 80 5.744 11.998 1.979 1.00 0.00 O ATOM 0 H SER A 80 7.869 9.538 1.765 1.00 0.00 H new ATOM 0 HA SER A 80 5.428 9.698 3.453 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.559 10.519 0.557 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.214 10.654 1.672 1.00 0.00 H new ATOM 0 HG SER A 80 5.331 12.669 1.397 1.00 0.00 H new ATOM 1245 N ILE A 81 4.596 7.606 2.284 1.00 0.00 N ATOM 1246 CA ILE A 81 4.208 6.311 1.744 1.00 0.00 C ATOM 1247 C ILE A 81 3.842 6.482 0.261 1.00 0.00 C ATOM 1248 O ILE A 81 4.347 5.712 -0.551 1.00 0.00 O ATOM 1249 CB ILE A 81 3.100 5.665 2.613 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.657 5.375 4.029 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.595 4.364 1.979 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.608 5.037 5.091 1.00 0.00 C ATOM 0 H ILE A 81 3.929 7.994 2.951 1.00 0.00 H new ATOM 0 HA ILE A 81 5.038 5.605 1.784 1.00 0.00 H new ATOM 0 HB ILE A 81 2.263 6.360 2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.361 4.546 3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.221 6.245 4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.818 3.930 2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.186 4.576 0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.422 3.660 1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.102 4.851 6.045 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.916 5.872 5.198 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.058 4.146 4.788 1.00 0.00 H new ATOM 1264 N PRO A 82 3.027 7.474 -0.154 1.00 0.00 N ATOM 1265 CA PRO A 82 2.562 7.552 -1.536 1.00 0.00 C ATOM 1266 C PRO A 82 3.685 7.902 -2.515 1.00 0.00 C ATOM 1267 O PRO A 82 3.569 7.641 -3.714 1.00 0.00 O ATOM 1268 CB PRO A 82 1.456 8.604 -1.552 1.00 0.00 C ATOM 1269 CG PRO A 82 1.694 9.442 -0.308 1.00 0.00 C ATOM 1270 CD PRO A 82 2.357 8.478 0.651 1.00 0.00 C ATOM 0 HA PRO A 82 2.194 6.581 -1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.504 9.214 -2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.470 8.140 -1.533 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.332 10.300 -0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.760 9.832 0.097 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.070 8.999 1.290 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.618 8.017 1.307 1.00 0.00 H new ATOM 1278 N LEU A 83 4.780 8.460 -1.995 1.00 0.00 N ATOM 1279 CA LEU A 83 6.015 8.637 -2.729 1.00 0.00 C ATOM 1280 C LEU A 83 6.571 7.306 -3.165 1.00 0.00 C ATOM 1281 O LEU A 83 6.907 7.140 -4.333 1.00 0.00 O ATOM 1282 CB LEU A 83 7.011 9.469 -1.903 1.00 0.00 C ATOM 1283 CG LEU A 83 6.936 10.965 -2.253 1.00 0.00 C ATOM 1284 CD1 LEU A 83 7.591 11.829 -1.170 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.637 11.262 -3.573 1.00 0.00 C ATOM 0 H LEU A 83 4.825 8.804 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 83 5.818 9.199 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.805 9.334 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.023 9.105 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 83 5.876 11.207 -2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.520 12.880 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.080 11.671 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.640 11.551 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.566 12.328 -3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.686 10.976 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.161 10.695 -4.373 1.00 0.00 H new ATOM 1297 N LEU A 84 6.680 6.367 -2.239 1.00 0.00 N ATOM 1298 CA LEU A 84 7.251 5.073 -2.560 1.00 0.00 C ATOM 1299 C LEU A 84 6.310 4.263 -3.429 1.00 0.00 C ATOM 1300 O LEU A 84 6.782 3.508 -4.269 1.00 0.00 O ATOM 1301 CB LEU A 84 7.462 4.348 -1.247 1.00 0.00 C ATOM 1302 CG LEU A 84 7.959 2.897 -1.387 1.00 0.00 C ATOM 1303 CD1 LEU A 84 9.267 2.769 -2.174 1.00 0.00 C ATOM 1304 CD2 LEU A 84 8.040 2.288 0.014 1.00 0.00 C ATOM 0 H LEU A 84 6.383 6.476 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 84 8.184 5.202 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.181 4.908 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.523 4.344 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 84 7.245 2.335 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.556 1.719 -2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.126 3.163 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.051 3.334 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.390 1.258 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.735 2.867 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.053 2.305 0.476 1.00 0.00 H new ATOM 1316 N ILE A 85 4.997 4.407 -3.234 1.00 0.00 N ATOM 1317 CA ILE A 85 4.042 3.639 -4.008 1.00 0.00 C ATOM 1318 C ILE A 85 4.276 3.862 -5.498 1.00 0.00 C ATOM 1319 O ILE A 85 4.202 2.885 -6.227 1.00 0.00 O ATOM 1320 CB ILE A 85 2.595 3.904 -3.542 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.343 3.342 -2.123 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.564 3.314 -4.515 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.594 1.836 -1.959 1.00 0.00 C ATOM 0 H ILE A 85 4.583 5.043 -2.553 1.00 0.00 H new ATOM 0 HA ILE A 85 4.199 2.575 -3.831 1.00 0.00 H new ATOM 0 HB ILE A 85 2.473 4.987 -3.520 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.980 3.878 -1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.311 3.554 -1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.558 3.523 -4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.694 3.764 -5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.707 2.236 -4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.389 1.543 -0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.938 1.283 -2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.633 1.612 -2.200 1.00 0.00 H new ATOM 1335 N ASP A 86 4.621 5.063 -5.975 1.00 0.00 N ATOM 1336 CA ASP A 86 4.863 5.204 -7.414 1.00 0.00 C ATOM 1337 C ASP A 86 6.162 4.515 -7.814 1.00 0.00 C ATOM 1338 O ASP A 86 6.226 3.848 -8.842 1.00 0.00 O ATOM 1339 CB ASP A 86 4.872 6.664 -7.864 1.00 0.00 C ATOM 1340 CG ASP A 86 4.385 6.774 -9.314 1.00 0.00 C ATOM 1341 OD1 ASP A 86 3.236 6.352 -9.580 1.00 0.00 O ATOM 1342 OD2 ASP A 86 5.061 7.365 -10.183 1.00 0.00 O ATOM 0 H ASP A 86 4.735 5.911 -5.420 1.00 0.00 H new ATOM 0 HA ASP A 86 4.032 4.716 -7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.231 7.257 -7.211 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.879 7.072 -7.779 1.00 0.00 H new ATOM 1347 N HIS A 87 7.186 4.626 -6.968 1.00 0.00 N ATOM 1348 CA HIS A 87 8.491 4.015 -7.182 1.00 0.00 C ATOM 1349 C HIS A 87 8.473 2.493 -7.018 1.00 0.00 C ATOM 1350 O HIS A 87 9.477 1.850 -7.321 1.00 0.00 O ATOM 1351 CB HIS A 87 9.520 4.586 -6.207 1.00 0.00 C ATOM 1352 CG HIS A 87 9.828 6.048 -6.391 1.00 0.00 C ATOM 1353 ND1 HIS A 87 9.104 7.144 -5.984 1.00 0.00 N ATOM 1354 CD2 HIS A 87 10.940 6.510 -7.017 1.00 0.00 C ATOM 1355 CE1 HIS A 87 9.769 8.246 -6.371 1.00 0.00 C ATOM 1356 NE2 HIS A 87 10.887 7.908 -7.035 1.00 0.00 N ATOM 0 H HIS A 87 7.127 5.155 -6.098 1.00 0.00 H new ATOM 0 HA HIS A 87 8.762 4.247 -8.212 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.160 4.431 -5.190 1.00 0.00 H new ATOM 0 HB3 HIS A 87 10.446 4.020 -6.307 1.00 0.00 H new ATOM 0 HD1 HIS A 87 8.219 7.124 -5.478 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.731 5.902 -7.431 1.00 0.00 H new ATOM 0 HE1 HIS A 87 9.450 9.259 -6.176 1.00 0.00 H new ATOM 1364 N LEU A 88 7.352 1.905 -6.598 1.00 0.00 N ATOM 1365 CA LEU A 88 7.091 0.480 -6.648 1.00 0.00 C ATOM 1366 C LEU A 88 6.065 0.115 -7.715 1.00 0.00 C ATOM 1367 O LEU A 88 6.184 -0.954 -8.313 1.00 0.00 O ATOM 1368 CB LEU A 88 6.563 0.040 -5.292 1.00 0.00 C ATOM 1369 CG LEU A 88 7.608 -0.001 -4.171 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.237 -1.203 -3.308 1.00 0.00 C ATOM 1371 CD2 LEU A 88 9.091 -0.172 -4.529 1.00 0.00 C ATOM 0 H LEU A 88 6.577 2.435 -6.200 1.00 0.00 H new ATOM 0 HA LEU A 88 8.024 -0.024 -6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.760 0.715 -4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.123 -0.952 -5.395 1.00 0.00 H new ATOM 0 HG LEU A 88 7.561 0.989 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.945 -1.292 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.232 -1.068 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.268 -2.109 -3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.687 -0.180 -3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.231 -1.113 -5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.410 0.655 -5.164 1.00 0.00 H new ATOM 1383 N LEU A 89 5.034 0.936 -7.932 1.00 0.00 N ATOM 1384 CA LEU A 89 3.914 0.617 -8.823 1.00 0.00 C ATOM 1385 C LEU A 89 4.313 0.881 -10.265 1.00 0.00 C ATOM 1386 O LEU A 89 3.799 0.249 -11.176 1.00 0.00 O ATOM 1387 CB LEU A 89 2.665 1.467 -8.519 1.00 0.00 C ATOM 1388 CG LEU A 89 1.375 0.888 -9.144 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.695 -0.178 -8.333 1.00 0.00 C ATOM 1390 CD2 LEU A 89 0.326 1.948 -9.480 1.00 0.00 C ATOM 0 H LEU A 89 4.952 1.851 -7.489 1.00 0.00 H new ATOM 0 HA LEU A 89 3.673 -0.434 -8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.537 1.542 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.821 2.479 -8.893 1.00 0.00 H new ATOM 0 HG LEU A 89 1.759 0.436 -10.058 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.198 -0.519 -8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.376 -1.018 -8.192 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.414 0.228 -7.361 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.551 1.467 -9.915 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.037 2.475 -8.571 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.742 2.658 -10.195 1.00 0.00 H new ATOM 1402 N SER A 90 5.229 1.815 -10.490 1.00 0.00 N ATOM 1403 CA SER A 90 5.727 2.087 -11.818 1.00 0.00 C ATOM 1404 C SER A 90 6.798 1.047 -12.178 1.00 0.00 C ATOM 1405 O SER A 90 7.060 0.837 -13.365 1.00 0.00 O ATOM 1406 CB SER A 90 6.252 3.532 -11.882 1.00 0.00 C ATOM 1407 OG SER A 90 6.286 3.995 -13.220 1.00 0.00 O ATOM 0 H SER A 90 5.640 2.396 -9.759 1.00 0.00 H new ATOM 0 HA SER A 90 4.930 2.003 -12.557 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.614 4.182 -11.283 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.252 3.580 -11.450 1.00 0.00 H new ATOM 0 HG SER A 90 6.621 4.916 -13.239 1.00 0.00 H new ATOM 1413 N THR A 91 7.428 0.399 -11.189 1.00 0.00 N ATOM 1414 CA THR A 91 8.600 -0.447 -11.399 1.00 0.00 C ATOM 1415 C THR A 91 8.213 -1.928 -11.322 1.00 0.00 C ATOM 1416 O THR A 91 8.818 -2.756 -11.999 1.00 0.00 O ATOM 1417 CB THR A 91 9.708 -0.079 -10.392 1.00 0.00 C ATOM 1418 OG1 THR A 91 9.399 -0.627 -9.126 1.00 0.00 O ATOM 1419 CG2 THR A 91 9.939 1.435 -10.237 1.00 0.00 C ATOM 0 H THR A 91 7.132 0.451 -10.214 1.00 0.00 H new ATOM 0 HA THR A 91 8.997 -0.272 -12.399 1.00 0.00 H new ATOM 0 HB THR A 91 10.631 -0.498 -10.794 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.427 -0.636 -9.002 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.734 1.609 -9.511 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.226 1.860 -11.199 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.021 1.910 -9.891 1.00 0.00 H new ATOM 1427 N GLN A 92 7.168 -2.259 -10.547 1.00 0.00 N ATOM 1428 CA GLN A 92 6.676 -3.621 -10.318 1.00 0.00 C ATOM 1429 C GLN A 92 7.728 -4.429 -9.540 1.00 0.00 C ATOM 1430 O GLN A 92 8.049 -5.571 -9.861 1.00 0.00 O ATOM 1431 CB GLN A 92 6.176 -4.280 -11.630 1.00 0.00 C ATOM 1432 CG GLN A 92 5.469 -3.363 -12.661 1.00 0.00 C ATOM 1433 CD GLN A 92 4.101 -2.806 -12.277 1.00 0.00 C ATOM 1434 OE1 GLN A 92 3.255 -2.548 -13.127 1.00 0.00 O ATOM 1435 NE2 GLN A 92 3.859 -2.540 -11.011 1.00 0.00 N ATOM 0 H GLN A 92 6.624 -1.557 -10.045 1.00 0.00 H new ATOM 0 HA GLN A 92 5.788 -3.594 -9.686 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.031 -4.744 -12.122 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.487 -5.082 -11.364 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.129 -2.522 -12.873 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.357 -3.922 -13.590 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.560 -2.753 -10.302 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.970 -2.120 -10.739 1.00 0.00 H new ATOM 1444 N GLN A 93 8.321 -3.779 -8.535 1.00 0.00 N ATOM 1445 CA GLN A 93 9.367 -4.353 -7.681 1.00 0.00 C ATOM 1446 C GLN A 93 8.799 -5.328 -6.636 1.00 0.00 C ATOM 1447 O GLN A 93 7.658 -5.138 -6.212 1.00 0.00 O ATOM 1448 CB GLN A 93 10.105 -3.224 -6.943 1.00 0.00 C ATOM 1449 CG GLN A 93 11.423 -2.872 -7.631 1.00 0.00 C ATOM 1450 CD GLN A 93 12.102 -1.697 -6.959 1.00 0.00 C ATOM 1451 OE1 GLN A 93 13.070 -1.856 -6.216 1.00 0.00 O ATOM 1452 NE2 GLN A 93 11.623 -0.498 -7.220 1.00 0.00 N ATOM 0 H GLN A 93 8.083 -2.819 -8.286 1.00 0.00 H new ATOM 0 HA GLN A 93 10.045 -4.906 -8.331 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.469 -2.340 -6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.300 -3.527 -5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.087 -3.736 -7.613 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.236 -2.636 -8.679 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.819 -0.394 -7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.056 0.326 -6.803 1.00 0.00 H new ATOM 1461 N PRO A 94 9.593 -6.292 -6.142 1.00 0.00 N ATOM 1462 CA PRO A 94 9.180 -7.181 -5.065 1.00 0.00 C ATOM 1463 C PRO A 94 9.005 -6.435 -3.728 1.00 0.00 C ATOM 1464 O PRO A 94 9.743 -5.501 -3.415 1.00 0.00 O ATOM 1465 CB PRO A 94 10.241 -8.284 -4.996 1.00 0.00 C ATOM 1466 CG PRO A 94 11.478 -7.682 -5.666 1.00 0.00 C ATOM 1467 CD PRO A 94 10.942 -6.587 -6.589 1.00 0.00 C ATOM 0 HA PRO A 94 8.197 -7.608 -5.262 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.449 -8.568 -3.964 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.910 -9.184 -5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 94 12.166 -7.272 -4.927 1.00 0.00 H new ATOM 0 HG3 PRO A 94 12.028 -8.437 -6.228 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.570 -5.697 -6.540 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.942 -6.920 -7.627 1.00 0.00 H new ATOM 1475 N LEU A 95 8.063 -6.898 -2.893 1.00 0.00 N ATOM 1476 CA LEU A 95 7.698 -6.286 -1.609 1.00 0.00 C ATOM 1477 C LEU A 95 8.375 -6.937 -0.405 1.00 0.00 C ATOM 1478 O LEU A 95 8.443 -6.341 0.667 1.00 0.00 O ATOM 1479 CB LEU A 95 6.188 -6.385 -1.387 1.00 0.00 C ATOM 1480 CG LEU A 95 5.317 -5.696 -2.447 1.00 0.00 C ATOM 1481 CD1 LEU A 95 3.909 -5.615 -1.879 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.792 -4.312 -2.884 1.00 0.00 C ATOM 0 H LEU A 95 7.518 -7.735 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 95 8.035 -5.251 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.913 -7.439 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.953 -5.955 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 95 5.373 -6.293 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.253 -5.130 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.542 -6.620 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.922 -5.036 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.109 -3.913 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.814 -3.646 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.793 -4.388 -3.309 1.00 0.00 H new ATOM 1494 N THR A 96 8.854 -8.172 -0.518 1.00 0.00 N ATOM 1495 CA THR A 96 9.908 -8.659 0.367 1.00 0.00 C ATOM 1496 C THR A 96 10.686 -9.715 -0.404 1.00 0.00 C ATOM 1497 O THR A 96 10.125 -10.383 -1.281 1.00 0.00 O ATOM 1498 CB THR A 96 9.361 -9.120 1.746 1.00 0.00 C ATOM 1499 OG1 THR A 96 10.208 -10.030 2.411 1.00 0.00 O ATOM 1500 CG2 THR A 96 7.962 -9.740 1.745 1.00 0.00 C ATOM 0 H THR A 96 8.532 -8.850 -1.209 1.00 0.00 H new ATOM 0 HA THR A 96 10.594 -7.858 0.642 1.00 0.00 H new ATOM 0 HB THR A 96 9.312 -8.167 2.273 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.809 -10.280 3.271 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.688 -10.022 2.762 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.243 -9.015 1.364 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.957 -10.625 1.109 1.00 0.00 H new ATOM 1508 N LYS A 97 11.960 -9.897 -0.039 1.00 0.00 N ATOM 1509 CA LYS A 97 12.854 -10.898 -0.612 1.00 0.00 C ATOM 1510 C LYS A 97 12.297 -12.310 -0.496 1.00 0.00 C ATOM 1511 O LYS A 97 12.722 -13.194 -1.243 1.00 0.00 O ATOM 1512 CB LYS A 97 14.226 -10.799 0.091 1.00 0.00 C ATOM 1513 CG LYS A 97 15.408 -11.110 -0.839 1.00 0.00 C ATOM 1514 CD LYS A 97 15.921 -9.879 -1.609 1.00 0.00 C ATOM 1515 CE LYS A 97 14.806 -9.136 -2.352 1.00 0.00 C ATOM 1516 NZ LYS A 97 15.278 -7.923 -3.029 1.00 0.00 N ATOM 0 H LYS A 97 12.406 -9.333 0.685 1.00 0.00 H new ATOM 0 HA LYS A 97 12.958 -10.693 -1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.347 -9.795 0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.245 -11.489 0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.225 -11.527 -0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.107 -11.876 -1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.405 -9.195 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.681 -10.194 -2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.358 -9.805 -3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.021 -8.869 -1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.461 -7.358 -3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.858 -7.362 -2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.850 -8.187 -3.856 1.00 0.00 H new ATOM 1530 N LYS A 98 11.366 -12.526 0.438 1.00 0.00 N ATOM 1531 CA LYS A 98 10.649 -13.782 0.542 1.00 0.00 C ATOM 1532 C LYS A 98 9.563 -13.769 -0.511 1.00 0.00 C ATOM 1533 O LYS A 98 9.734 -14.335 -1.586 1.00 0.00 O ATOM 1534 CB LYS A 98 10.080 -14.021 1.948 1.00 0.00 C ATOM 1535 CG LYS A 98 11.180 -14.155 3.009 1.00 0.00 C ATOM 1536 CD LYS A 98 11.420 -12.792 3.654 1.00 0.00 C ATOM 1537 CE LYS A 98 12.687 -12.699 4.503 1.00 0.00 C ATOM 1538 NZ LYS A 98 12.722 -13.603 5.673 1.00 0.00 N ATOM 0 H LYS A 98 11.095 -11.833 1.136 1.00 0.00 H new ATOM 0 HA LYS A 98 11.335 -14.612 0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 98 9.420 -13.196 2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 98 9.472 -14.926 1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.886 -14.883 3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.099 -14.523 2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.470 -12.038 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.562 -12.545 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.547 -12.915 3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.798 -11.672 4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.616 -13.470 6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.924 -13.386 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.650 -14.590 5.352 1.00 0.00 H new ATOM 1552 N SER A 99 8.441 -13.127 -0.188 1.00 0.00 N ATOM 1553 CA SER A 99 7.194 -13.470 -0.828 1.00 0.00 C ATOM 1554 C SER A 99 7.086 -12.983 -2.282 1.00 0.00 C ATOM 1555 O SER A 99 6.189 -13.445 -2.989 1.00 0.00 O ATOM 1556 CB SER A 99 6.025 -12.984 0.033 1.00 0.00 C ATOM 1557 OG SER A 99 5.995 -13.698 1.256 1.00 0.00 O ATOM 0 H SER A 99 8.380 -12.379 0.503 1.00 0.00 H new ATOM 0 HA SER A 99 7.156 -14.557 -0.903 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.125 -11.916 0.228 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.086 -13.123 -0.502 1.00 0.00 H new ATOM 0 HG SER A 99 5.246 -13.380 1.802 1.00 0.00 H new ATOM 1563 N GLY A 100 7.967 -12.076 -2.728 1.00 0.00 N ATOM 1564 CA GLY A 100 8.063 -11.603 -4.107 1.00 0.00 C ATOM 1565 C GLY A 100 6.758 -11.050 -4.687 1.00 0.00 C ATOM 1566 O GLY A 100 6.590 -11.054 -5.906 1.00 0.00 O ATOM 0 H GLY A 100 8.654 -11.639 -2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.825 -10.825 -4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.404 -12.425 -4.736 1.00 0.00 H new ATOM 1570 N VAL A 101 5.839 -10.574 -3.841 1.00 0.00 N ATOM 1571 CA VAL A 101 4.674 -9.796 -4.254 1.00 0.00 C ATOM 1572 C VAL A 101 5.156 -8.578 -5.029 1.00 0.00 C ATOM 1573 O VAL A 101 6.195 -8.048 -4.652 1.00 0.00 O ATOM 1574 CB VAL A 101 3.910 -9.342 -3.003 1.00 0.00 C ATOM 1575 CG1 VAL A 101 2.654 -8.541 -3.332 1.00 0.00 C ATOM 1576 CG2 VAL A 101 3.525 -10.487 -2.069 1.00 0.00 C ATOM 0 H VAL A 101 5.888 -10.723 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 101 4.016 -10.397 -4.882 1.00 0.00 H new ATOM 0 HB VAL A 101 4.623 -8.700 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.157 -8.248 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.928 -7.649 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.978 -9.153 -3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.988 -10.089 -1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.886 -11.191 -2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.426 -10.999 -1.730 1.00 0.00 H new ATOM 1586 N VAL A 102 4.386 -8.065 -5.988 1.00 0.00 N ATOM 1587 CA VAL A 102 4.593 -6.735 -6.554 1.00 0.00 C ATOM 1588 C VAL A 102 3.268 -5.956 -6.479 1.00 0.00 C ATOM 1589 O VAL A 102 2.184 -6.545 -6.461 1.00 0.00 O ATOM 1590 CB VAL A 102 5.236 -6.828 -7.967 1.00 0.00 C ATOM 1591 CG1 VAL A 102 6.325 -7.914 -8.074 1.00 0.00 C ATOM 1592 CG2 VAL A 102 4.258 -6.963 -9.146 1.00 0.00 C ATOM 0 H VAL A 102 3.596 -8.565 -6.396 1.00 0.00 H new ATOM 0 HA VAL A 102 5.318 -6.164 -5.973 1.00 0.00 H new ATOM 0 HB VAL A 102 5.697 -5.845 -8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.731 -7.924 -9.086 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.124 -7.699 -7.365 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.891 -8.888 -7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.819 -7.019 -10.079 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.664 -7.869 -9.024 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.597 -6.097 -9.171 1.00 0.00 H new ATOM 1602 N LEU A 103 3.352 -4.628 -6.421 1.00 0.00 N ATOM 1603 CA LEU A 103 2.276 -3.695 -6.703 1.00 0.00 C ATOM 1604 C LEU A 103 1.877 -3.858 -8.159 1.00 0.00 C ATOM 1605 O LEU A 103 2.740 -4.104 -8.992 1.00 0.00 O ATOM 1606 CB LEU A 103 2.820 -2.269 -6.508 1.00 0.00 C ATOM 1607 CG LEU A 103 3.171 -1.874 -5.058 1.00 0.00 C ATOM 1608 CD1 LEU A 103 3.126 -0.349 -4.946 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.283 -2.457 -3.952 1.00 0.00 C ATOM 0 H LEU A 103 4.218 -4.156 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 103 1.423 -3.876 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.714 -2.155 -7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.081 -1.564 -6.887 1.00 0.00 H new ATOM 0 HG LEU A 103 4.159 -2.301 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.372 -0.052 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.848 0.088 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.126 0.005 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.632 -2.105 -2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.253 -2.136 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.332 -3.545 -3.982 1.00 0.00 H new ATOM 1621 N HIS A 104 0.609 -3.628 -8.494 1.00 0.00 N ATOM 1622 CA HIS A 104 0.173 -3.541 -9.893 1.00 0.00 C ATOM 1623 C HIS A 104 -1.111 -2.718 -10.018 1.00 0.00 C ATOM 1624 O HIS A 104 -1.305 -2.028 -11.022 1.00 0.00 O ATOM 1625 CB HIS A 104 -0.042 -4.955 -10.461 1.00 0.00 C ATOM 1626 CG HIS A 104 0.991 -5.448 -11.447 1.00 0.00 C ATOM 1627 ND1 HIS A 104 1.370 -4.841 -12.622 1.00 0.00 N ATOM 1628 CD2 HIS A 104 1.659 -6.642 -11.367 1.00 0.00 C ATOM 1629 CE1 HIS A 104 2.268 -5.638 -13.220 1.00 0.00 C ATOM 1630 NE2 HIS A 104 2.473 -6.761 -12.504 1.00 0.00 N ATOM 0 H HIS A 104 -0.140 -3.497 -7.815 1.00 0.00 H new ATOM 0 HA HIS A 104 0.952 -3.038 -10.467 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.080 -5.656 -9.627 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.018 -4.983 -10.946 1.00 0.00 H new ATOM 0 HD2 HIS A 104 1.574 -7.365 -10.569 1.00 0.00 H new ATOM 0 HE1 HIS A 104 2.762 -5.410 -14.153 1.00 0.00 H new ATOM 0 HE2 HIS A 104 3.092 -7.537 -12.740 1.00 0.00 H new ATOM 1638 N ARG A 105 -2.002 -2.767 -9.023 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.299 -2.102 -9.073 1.00 0.00 C ATOM 1640 C ARG A 105 -3.653 -1.544 -7.706 1.00 0.00 C ATOM 1641 O ARG A 105 -3.317 -2.133 -6.690 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.362 -3.112 -9.533 1.00 0.00 C ATOM 1643 CG ARG A 105 -5.685 -2.456 -9.956 1.00 0.00 C ATOM 1644 CD ARG A 105 -5.532 -1.803 -11.328 1.00 0.00 C ATOM 1645 NE ARG A 105 -6.653 -0.913 -11.650 1.00 0.00 N ATOM 1646 CZ ARG A 105 -6.602 0.047 -12.582 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -5.504 0.216 -13.315 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -7.644 0.843 -12.771 1.00 0.00 N ATOM 0 H ARG A 105 -1.838 -3.275 -8.154 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.259 -1.273 -9.779 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.967 -3.688 -10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -4.557 -3.817 -8.725 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.477 -3.204 -9.987 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -5.981 -1.709 -9.220 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -4.601 -1.236 -11.356 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.456 -2.578 -12.090 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.524 -1.033 -11.133 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -4.695 -0.388 -13.168 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -5.472 0.949 -14.023 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.485 0.725 -12.206 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -7.605 1.574 -13.481 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.325 -0.403 -7.674 1.00 0.00 N ATOM 1663 CA ALA A 106 -4.746 0.237 -6.443 1.00 0.00 C ATOM 1664 C ALA A 106 -6.265 0.237 -6.425 1.00 0.00 C ATOM 1665 O ALA A 106 -6.883 0.752 -7.360 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.173 1.649 -6.375 1.00 0.00 C ATOM 0 H ALA A 106 -4.595 0.108 -8.514 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.377 -0.298 -5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.492 2.127 -5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.084 1.602 -6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.533 2.229 -7.225 1.00 0.00 H new ATOM 1672 N VAL A 107 -6.854 -0.361 -5.392 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.284 -0.292 -5.137 1.00 0.00 C ATOM 1674 C VAL A 107 -8.596 1.158 -4.804 1.00 0.00 C ATOM 1675 O VAL A 107 -8.068 1.673 -3.820 1.00 0.00 O ATOM 1676 CB VAL A 107 -8.622 -1.215 -3.952 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.086 -1.128 -3.509 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.292 -2.676 -4.283 1.00 0.00 C ATOM 0 H VAL A 107 -6.343 -0.912 -4.703 1.00 0.00 H new ATOM 0 HA VAL A 107 -8.873 -0.616 -5.995 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.004 -0.864 -3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.253 -1.804 -2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.313 -0.107 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.734 -1.411 -4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.540 -3.307 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.872 -2.993 -5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.229 -2.768 -4.505 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.450 1.835 -5.576 1.00 0.00 N ATOM 1689 CA PRO A 108 -9.971 3.101 -5.148 1.00 0.00 C ATOM 1690 C PRO A 108 -11.059 2.905 -4.103 1.00 0.00 C ATOM 1691 O PRO A 108 -12.160 2.453 -4.427 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.496 3.771 -6.405 1.00 0.00 C ATOM 1693 CG PRO A 108 -10.951 2.571 -7.257 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.131 1.382 -6.773 1.00 0.00 C ATOM 0 HA PRO A 108 -9.212 3.721 -4.670 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.320 4.451 -6.189 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.724 4.355 -6.906 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.018 2.386 -7.133 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -10.781 2.758 -8.317 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -10.771 0.526 -6.559 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.417 1.064 -7.533 1.00 0.00 H new ATOM 1702 N SER A 109 -10.794 3.334 -2.874 1.00 0.00 N ATOM 1703 CA SER A 109 -11.871 3.709 -1.973 1.00 0.00 C ATOM 1704 C SER A 109 -12.510 4.980 -2.536 1.00 0.00 C ATOM 1705 O SER A 109 -13.720 5.056 -2.781 1.00 0.00 O ATOM 1706 CB SER A 109 -11.317 3.956 -0.563 1.00 0.00 C ATOM 1707 OG SER A 109 -12.347 3.732 0.369 1.00 0.00 O ATOM 0 H SER A 109 -9.856 3.429 -2.485 1.00 0.00 H new ATOM 0 HA SER A 109 -12.613 2.914 -1.898 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.476 3.291 -0.365 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.944 4.976 -0.476 1.00 0.00 H new ATOM 0 HG SER A 109 -12.231 2.849 0.779 1.00 0.00 H new ATOM 1713 N GLY A 110 -11.644 5.962 -2.779 1.00 0.00 N ATOM 1714 CA GLY A 110 -11.943 7.375 -2.824 1.00 0.00 C ATOM 1715 C GLY A 110 -11.033 8.116 -1.848 1.00 0.00 C ATOM 1716 O GLY A 110 -10.244 7.478 -1.151 1.00 0.00 O ATOM 0 H GLY A 110 -10.658 5.771 -2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.799 7.757 -3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.988 7.545 -2.565 1.00 0.00 H new