USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 852 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 39 CYS SG : rot 86:sc= -5.42! USER MOD Set 1.2: A 63 ASN : amide:sc= -5.89! C(o=-11!,f=-21!) USER MOD Set 2.1: A 19 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Set 2.2: A 44 LYS NZ :NH3+ 157:sc= 0 (180deg=0) USER MOD Set 3.1: A 20 TYR OH : rot 1:sc= -0.732 USER MOD Set 3.2: A 43 HIS : no HD1:sc= -3.28 K(o=-4,f=-18!) USER MOD Set 4.1: A 27 ASN : amide:sc= -0.44 X(o=-0.51,f=-0.56) USER MOD Set 4.2: A 30 SER OG : rot 180:sc= -0.066 USER MOD Set 5.1: A 22 HIS : no HE2:sc= -5.1! C(o=-8.4!,f=-18!) USER MOD Set 5.2: A 36 MET CE :methyl -179:sc= -3.16! (180deg=0) USER MOD Set 5.3: A 52 TYR OH : rot 15:sc= -0.17 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 11:sc= 1.75 USER MOD Single : A 16 MET CE :methyl -175:sc= -3.32! (180deg=-3.69!) USER MOD Single : A 17 THR OG1 : rot 58:sc= -2.1! USER MOD Single : A 26 GLN : amide:sc= -1.16 K(o=-1.2,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -116:sc= 1.57 USER MOD Single : A 33 SER OG : rot -83:sc= 0.761 USER MOD Single : A 34 SER OG : rot 160:sc= -1.13 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 82:sc= -0.439 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 102:sc= 0.785 USER MOD Single : A 73 LYS NZ :NH3+ -154:sc= -0.105 (180deg=-0.753) USER MOD Single : A 77 CYS SG : rot -147:sc= 0.773 USER MOD Single : A 79 GLN : amide:sc= -1.38! K(o=-1.4!,f=0) USER MOD Single : A 86 MET CE :methyl -149:sc= -0.0585 (180deg=-0.174) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 167:sc=-0.00168 (180deg=-0.182) USER MOD Single : A 96 CYS SG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 93:sc= 0.753 USER MOD Single : A 100 TYR OH : rot 165:sc= 0 USER MOD Single : A 102 GLN : amide:sc=-0.00625 K(o=-0.0063,f=-1.8) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 86:sc= 1.25 USER MOD Single : A 110 GLN : amide:sc= -1.43 K(o=-1.4,f=-4.9!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N ASN A 7 3.473 12.582 5.443 1.00 0.00 N ATOM 84 CA ASN A 7 3.163 13.320 4.228 1.00 0.00 C ATOM 85 C ASN A 7 3.976 12.770 3.061 1.00 0.00 C ATOM 86 O ASN A 7 3.471 12.632 1.947 1.00 0.00 O ATOM 87 CB ASN A 7 3.483 14.801 4.424 1.00 0.00 C ATOM 88 CG ASN A 7 3.188 15.575 3.145 1.00 0.00 C ATOM 89 OD1 ASN A 7 2.036 15.659 2.719 1.00 0.00 O ATOM 90 ND2 ASN A 7 4.166 16.147 2.498 1.00 0.00 N ATOM 0 HA ASN A 7 2.101 13.207 4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.891 15.203 5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.531 14.921 4.697 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.976 16.664 1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 7 5.120 16.077 2.851 1.00 0.00 H new ATOM 97 N MET A 8 5.235 12.459 3.333 1.00 0.00 N ATOM 98 CA MET A 8 6.125 11.929 2.311 1.00 0.00 C ATOM 99 C MET A 8 5.555 10.643 1.726 1.00 0.00 C ATOM 100 O MET A 8 5.537 10.455 0.508 1.00 0.00 O ATOM 101 CB MET A 8 7.503 11.653 2.933 1.00 0.00 C ATOM 102 CG MET A 8 8.439 11.005 1.908 1.00 0.00 C ATOM 103 SD MET A 8 8.603 12.074 0.461 1.00 0.00 S ATOM 104 CE MET A 8 9.698 10.991 -0.490 1.00 0.00 C ATOM 0 H MET A 8 5.663 12.565 4.253 1.00 0.00 H new ATOM 0 HA MET A 8 6.224 12.661 1.509 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.939 12.585 3.293 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.393 10.998 3.797 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.418 10.832 2.355 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.048 10.032 1.610 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.936 11.461 -1.444 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.618 10.821 0.070 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.201 10.038 -0.669 1.00 0.00 H new ATOM 114 N LEU A 9 5.089 9.765 2.604 1.00 0.00 N ATOM 115 CA LEU A 9 4.513 8.504 2.186 1.00 0.00 C ATOM 116 C LEU A 9 3.239 8.736 1.398 1.00 0.00 C ATOM 117 O LEU A 9 2.999 8.090 0.377 1.00 0.00 O ATOM 118 CB LEU A 9 4.192 7.672 3.423 1.00 0.00 C ATOM 119 CG LEU A 9 5.479 7.201 4.088 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.138 6.543 5.426 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.222 6.192 3.184 1.00 0.00 C ATOM 0 H LEU A 9 5.101 9.908 3.614 1.00 0.00 H new ATOM 0 HA LEU A 9 5.228 7.980 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.606 8.264 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.582 6.813 3.144 1.00 0.00 H new ATOM 0 HG LEU A 9 6.130 8.060 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.054 6.203 5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.636 7.266 6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.480 5.691 5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.138 5.868 3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.583 5.328 3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.469 6.667 2.235 1.00 0.00 H new ATOM 133 N LEU A 10 2.419 9.654 1.892 1.00 0.00 N ATOM 134 CA LEU A 10 1.157 9.958 1.234 1.00 0.00 C ATOM 135 C LEU A 10 1.426 10.504 -0.163 1.00 0.00 C ATOM 136 O LEU A 10 0.838 10.054 -1.147 1.00 0.00 O ATOM 137 CB LEU A 10 0.365 10.979 2.076 1.00 0.00 C ATOM 138 CG LEU A 10 -1.121 10.994 1.658 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.876 9.855 2.364 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.762 12.347 2.035 1.00 0.00 C ATOM 0 H LEU A 10 2.602 10.195 2.737 1.00 0.00 H new ATOM 0 HA LEU A 10 0.563 9.049 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.448 10.728 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.794 11.973 1.949 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.184 10.854 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.924 9.872 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.434 8.898 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.806 9.986 3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.810 12.349 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.691 12.495 3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.237 13.153 1.523 1.00 0.00 H new ATOM 152 N GLU A 11 2.333 11.466 -0.233 1.00 0.00 N ATOM 153 CA GLU A 11 2.701 12.081 -1.503 1.00 0.00 C ATOM 154 C GLU A 11 3.148 11.014 -2.485 1.00 0.00 C ATOM 155 O GLU A 11 2.692 10.932 -3.628 1.00 0.00 O ATOM 156 CB GLU A 11 3.872 13.019 -1.243 1.00 0.00 C ATOM 157 CG GLU A 11 4.147 13.864 -2.481 1.00 0.00 C ATOM 158 CD GLU A 11 5.283 14.838 -2.200 1.00 0.00 C ATOM 159 OE1 GLU A 11 5.960 14.659 -1.201 1.00 0.00 O ATOM 160 OE2 GLU A 11 5.466 15.746 -2.993 1.00 0.00 O ATOM 0 H GLU A 11 2.830 11.840 0.576 1.00 0.00 H new ATOM 0 HA GLU A 11 1.847 12.617 -1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.650 13.665 -0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.759 12.443 -0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.407 13.220 -3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.248 14.412 -2.765 1.00 0.00 H new ATOM 167 N TRP A 12 4.056 10.217 -1.980 1.00 0.00 N ATOM 168 CA TRP A 12 4.668 9.113 -2.692 1.00 0.00 C ATOM 169 C TRP A 12 3.614 8.085 -3.121 1.00 0.00 C ATOM 170 O TRP A 12 3.452 7.805 -4.308 1.00 0.00 O ATOM 171 CB TRP A 12 5.648 8.538 -1.680 1.00 0.00 C ATOM 172 CG TRP A 12 6.399 7.361 -2.171 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.522 7.393 -2.918 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.136 5.974 -1.876 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.962 6.095 -3.108 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.132 5.181 -2.483 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.125 5.342 -1.149 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.127 3.793 -2.362 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.109 3.945 -1.021 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.111 3.171 -1.627 1.00 0.00 C ATOM 0 H TRP A 12 4.405 10.319 -1.027 1.00 0.00 H new ATOM 0 HA TRP A 12 5.159 9.415 -3.617 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.357 9.315 -1.394 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.102 8.258 -0.779 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.998 8.283 -3.303 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.794 5.843 -3.642 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.350 5.932 -0.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.900 3.202 -2.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.325 3.464 -0.455 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.098 2.096 -1.526 1.00 0.00 H new ATOM 191 N CYS A 13 2.884 7.542 -2.153 1.00 0.00 N ATOM 192 CA CYS A 13 1.841 6.557 -2.446 1.00 0.00 C ATOM 193 C CYS A 13 0.874 7.090 -3.510 1.00 0.00 C ATOM 194 O CYS A 13 0.525 6.389 -4.460 1.00 0.00 O ATOM 195 CB CYS A 13 1.071 6.264 -1.146 1.00 0.00 C ATOM 196 SG CYS A 13 1.928 4.977 -0.208 1.00 0.00 S ATOM 0 H CYS A 13 2.992 7.763 -1.163 1.00 0.00 H new ATOM 0 HA CYS A 13 2.300 5.646 -2.831 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.990 7.171 -0.547 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.055 5.944 -1.378 1.00 0.00 H new ATOM 0 HG CYS A 13 3.097 4.762 -0.734 1.00 0.00 H new ATOM 202 N ARG A 14 0.452 8.340 -3.331 1.00 0.00 N ATOM 203 CA ARG A 14 -0.474 8.978 -4.268 1.00 0.00 C ATOM 204 C ARG A 14 0.148 9.065 -5.654 1.00 0.00 C ATOM 205 O ARG A 14 -0.468 8.705 -6.658 1.00 0.00 O ATOM 206 CB ARG A 14 -0.790 10.392 -3.790 1.00 0.00 C ATOM 207 CG ARG A 14 -1.995 10.942 -4.564 1.00 0.00 C ATOM 208 CD ARG A 14 -2.389 12.307 -3.995 1.00 0.00 C ATOM 209 NE ARG A 14 -3.643 12.760 -4.588 1.00 0.00 N ATOM 210 CZ ARG A 14 -4.278 13.833 -4.121 1.00 0.00 C ATOM 211 NH1 ARG A 14 -4.988 13.746 -3.028 1.00 0.00 N ATOM 212 NH2 ARG A 14 -4.197 14.972 -4.754 1.00 0.00 N ATOM 0 H ARG A 14 0.735 8.931 -2.549 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.384 8.380 -4.314 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.004 10.386 -2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.075 11.038 -3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.749 11.035 -5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.834 10.250 -4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.494 12.241 -2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.601 13.033 -4.195 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.040 12.246 -5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.056 12.857 -2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.475 14.567 -2.669 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.646 15.042 -5.609 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.685 15.792 -4.393 1.00 0.00 H new ATOM 226 N ALA A 15 1.373 9.550 -5.682 1.00 0.00 N ATOM 227 CA ALA A 15 2.105 9.705 -6.936 1.00 0.00 C ATOM 228 C ALA A 15 2.078 8.416 -7.752 1.00 0.00 C ATOM 229 O ALA A 15 2.252 8.438 -8.969 1.00 0.00 O ATOM 230 CB ALA A 15 3.553 10.092 -6.643 1.00 0.00 C ATOM 0 H ALA A 15 1.888 9.846 -4.853 1.00 0.00 H new ATOM 0 HA ALA A 15 1.622 10.491 -7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.096 10.207 -7.581 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.574 11.033 -6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.024 9.312 -6.044 1.00 0.00 H new ATOM 236 N MET A 16 1.868 7.292 -7.074 1.00 0.00 N ATOM 237 CA MET A 16 1.825 5.991 -7.739 1.00 0.00 C ATOM 238 C MET A 16 0.390 5.455 -7.781 1.00 0.00 C ATOM 239 O MET A 16 0.133 4.380 -8.327 1.00 0.00 O ATOM 240 CB MET A 16 2.740 5.014 -6.993 1.00 0.00 C ATOM 241 CG MET A 16 4.204 5.298 -7.362 1.00 0.00 C ATOM 242 SD MET A 16 4.616 7.022 -6.970 1.00 0.00 S ATOM 243 CE MET A 16 5.533 6.709 -5.441 1.00 0.00 C ATOM 0 H MET A 16 1.725 7.254 -6.065 1.00 0.00 H new ATOM 0 HA MET A 16 2.173 6.100 -8.766 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.599 5.117 -5.917 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.481 3.987 -7.252 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.863 4.624 -6.815 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.364 5.109 -8.423 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.806 7.658 -4.980 1.00 0.00 H new ATOM 0 HE2 MET A 16 4.910 6.137 -4.753 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.436 6.143 -5.668 1.00 0.00 H new ATOM 253 N THR A 17 -0.540 6.210 -7.193 1.00 0.00 N ATOM 254 CA THR A 17 -1.948 5.807 -7.158 1.00 0.00 C ATOM 255 C THR A 17 -2.700 6.305 -8.393 1.00 0.00 C ATOM 256 O THR A 17 -3.824 5.874 -8.660 1.00 0.00 O ATOM 257 CB THR A 17 -2.618 6.381 -5.910 1.00 0.00 C ATOM 258 OG1 THR A 17 -1.838 6.061 -4.765 1.00 0.00 O ATOM 259 CG2 THR A 17 -4.016 5.787 -5.756 1.00 0.00 C ATOM 0 H THR A 17 -0.345 7.101 -6.736 1.00 0.00 H new ATOM 0 HA THR A 17 -1.983 4.718 -7.141 1.00 0.00 H new ATOM 0 HB THR A 17 -2.696 7.464 -6.008 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.932 6.419 -4.876 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.490 6.199 -4.865 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.615 6.034 -6.633 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.943 4.704 -5.660 1.00 0.00 H new ATOM 267 N ARG A 18 -2.071 7.195 -9.154 1.00 0.00 N ATOM 268 CA ARG A 18 -2.681 7.725 -10.358 1.00 0.00 C ATOM 269 C ARG A 18 -2.753 6.636 -11.425 1.00 0.00 C ATOM 270 O ARG A 18 -3.579 6.683 -12.339 1.00 0.00 O ATOM 271 CB ARG A 18 -1.829 8.884 -10.862 1.00 0.00 C ATOM 272 CG ARG A 18 -2.614 9.659 -11.911 1.00 0.00 C ATOM 273 CD ARG A 18 -1.749 10.777 -12.473 1.00 0.00 C ATOM 274 NE ARG A 18 -1.465 11.756 -11.437 1.00 0.00 N ATOM 275 CZ ARG A 18 -0.701 12.812 -11.681 1.00 0.00 C ATOM 276 NH1 ARG A 18 -1.229 13.895 -12.177 1.00 0.00 N ATOM 277 NH2 ARG A 18 0.577 12.761 -11.425 1.00 0.00 N ATOM 0 H ARG A 18 -1.140 7.561 -8.955 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.692 8.070 -10.142 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.558 9.540 -10.034 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.899 8.509 -11.289 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.928 8.990 -12.713 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.520 10.074 -11.469 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.817 10.366 -12.862 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.259 11.257 -13.308 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.860 11.628 -10.505 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.229 13.930 -12.377 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.643 14.708 -12.365 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.986 11.910 -11.038 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.167 13.572 -11.612 1.00 0.00 H new ATOM 291 N ASN A 19 -1.865 5.667 -11.282 1.00 0.00 N ATOM 292 CA ASN A 19 -1.786 4.545 -12.210 1.00 0.00 C ATOM 293 C ASN A 19 -3.019 3.667 -12.088 1.00 0.00 C ATOM 294 O ASN A 19 -3.544 3.154 -13.078 1.00 0.00 O ATOM 295 CB ASN A 19 -0.536 3.702 -11.911 1.00 0.00 C ATOM 296 CG ASN A 19 -0.092 2.949 -13.163 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.759 2.007 -13.594 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.996 3.317 -13.781 1.00 0.00 N ATOM 0 H ASN A 19 -1.181 5.633 -10.526 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.727 4.942 -13.223 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.270 4.347 -11.561 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.749 2.995 -11.110 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.296 2.825 -14.623 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.547 4.097 -13.423 1.00 0.00 H new ATOM 305 N TYR A 20 -3.462 3.487 -10.850 1.00 0.00 N ATOM 306 CA TYR A 20 -4.618 2.653 -10.556 1.00 0.00 C ATOM 307 C TYR A 20 -5.835 3.504 -10.206 1.00 0.00 C ATOM 308 O TYR A 20 -5.952 3.999 -9.093 1.00 0.00 O ATOM 309 CB TYR A 20 -4.273 1.743 -9.377 1.00 0.00 C ATOM 310 CG TYR A 20 -3.024 0.963 -9.700 1.00 0.00 C ATOM 311 CD1 TYR A 20 -3.107 -0.221 -10.434 1.00 0.00 C ATOM 312 CD2 TYR A 20 -1.783 1.429 -9.260 1.00 0.00 C ATOM 313 CE1 TYR A 20 -1.947 -0.948 -10.730 1.00 0.00 C ATOM 314 CE2 TYR A 20 -0.617 0.706 -9.555 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.699 -0.483 -10.292 1.00 0.00 C ATOM 316 OH TYR A 20 0.445 -1.201 -10.578 1.00 0.00 O ATOM 0 H TYR A 20 -3.033 3.912 -10.028 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.863 2.062 -11.438 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.122 2.337 -8.476 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.099 1.062 -9.175 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.068 -0.578 -10.775 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.721 2.346 -8.693 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.014 -1.866 -11.295 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.343 1.066 -9.214 1.00 0.00 H new ATOM 0 HH TYR A 20 0.211 -1.994 -11.104 1.00 0.00 H new ATOM 326 N GLU A 21 -6.728 3.683 -11.171 1.00 0.00 N ATOM 327 CA GLU A 21 -7.935 4.479 -10.959 1.00 0.00 C ATOM 328 C GLU A 21 -8.867 3.786 -9.987 1.00 0.00 C ATOM 329 O GLU A 21 -8.511 2.773 -9.386 1.00 0.00 O ATOM 330 CB GLU A 21 -8.663 4.678 -12.285 1.00 0.00 C ATOM 331 CG GLU A 21 -8.952 3.314 -12.913 1.00 0.00 C ATOM 332 CD GLU A 21 -9.532 3.505 -14.309 1.00 0.00 C ATOM 333 OE1 GLU A 21 -9.063 4.390 -15.005 1.00 0.00 O ATOM 334 OE2 GLU A 21 -10.435 2.764 -14.662 1.00 0.00 O ATOM 0 H GLU A 21 -6.641 3.289 -12.108 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.640 5.444 -10.547 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.594 5.221 -12.124 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.055 5.280 -12.960 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.036 2.726 -12.967 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.652 2.757 -12.291 1.00 0.00 H new ATOM 341 N HIS A 22 -10.065 4.343 -9.823 1.00 0.00 N ATOM 342 CA HIS A 22 -11.043 3.770 -8.905 1.00 0.00 C ATOM 343 C HIS A 22 -10.460 3.774 -7.491 1.00 0.00 C ATOM 344 O HIS A 22 -11.098 3.331 -6.534 1.00 0.00 O ATOM 345 CB HIS A 22 -11.423 2.336 -9.375 1.00 0.00 C ATOM 346 CG HIS A 22 -11.559 1.396 -8.208 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.677 1.386 -7.394 1.00 0.00 N ATOM 348 CD2 HIS A 22 -10.708 0.453 -7.692 1.00 0.00 C ATOM 349 CE1 HIS A 22 -12.472 0.466 -6.436 1.00 0.00 C ATOM 350 NE2 HIS A 22 -11.287 -0.133 -6.570 1.00 0.00 N ATOM 0 H HIS A 22 -10.379 5.183 -10.310 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.956 4.365 -8.897 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.361 2.369 -9.929 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.662 1.962 -10.059 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -13.506 1.970 -7.501 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.737 0.203 -8.094 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.180 0.239 -5.653 1.00 0.00 H new ATOM 358 N VAL A 23 -9.236 4.277 -7.383 1.00 0.00 N ATOM 359 CA VAL A 23 -8.531 4.346 -6.110 1.00 0.00 C ATOM 360 C VAL A 23 -8.072 5.779 -5.864 1.00 0.00 C ATOM 361 O VAL A 23 -7.471 6.408 -6.735 1.00 0.00 O ATOM 362 CB VAL A 23 -7.324 3.404 -6.163 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.476 3.542 -4.901 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.807 1.958 -6.304 1.00 0.00 C ATOM 0 H VAL A 23 -8.706 4.647 -8.172 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.190 4.044 -5.296 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.711 3.672 -7.024 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.624 2.864 -4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.118 4.568 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.079 3.292 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.947 1.289 -6.342 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.432 1.698 -5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.386 1.856 -7.222 1.00 0.00 H new ATOM 374 N ASP A 24 -8.346 6.280 -4.665 1.00 0.00 N ATOM 375 CA ASP A 24 -7.956 7.641 -4.288 1.00 0.00 C ATOM 376 C ASP A 24 -7.506 7.665 -2.832 1.00 0.00 C ATOM 377 O ASP A 24 -8.313 7.496 -1.918 1.00 0.00 O ATOM 378 CB ASP A 24 -9.135 8.595 -4.479 1.00 0.00 C ATOM 379 CG ASP A 24 -10.303 8.162 -3.600 1.00 0.00 C ATOM 380 OD1 ASP A 24 -10.280 7.036 -3.131 1.00 0.00 O ATOM 381 OD2 ASP A 24 -11.207 8.959 -3.415 1.00 0.00 O ATOM 0 H ASP A 24 -8.837 5.766 -3.934 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.132 7.962 -4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.836 9.612 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.440 8.604 -5.525 1.00 0.00 H new ATOM 386 N ILE A 25 -6.210 7.853 -2.622 1.00 0.00 N ATOM 387 CA ILE A 25 -5.659 7.867 -1.269 1.00 0.00 C ATOM 388 C ILE A 25 -5.794 9.232 -0.589 1.00 0.00 C ATOM 389 O ILE A 25 -4.925 10.097 -0.706 1.00 0.00 O ATOM 390 CB ILE A 25 -4.197 7.413 -1.316 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.172 5.922 -1.688 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.537 7.613 0.050 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.739 5.460 -1.982 1.00 0.00 C ATOM 0 H ILE A 25 -5.524 7.997 -3.363 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.239 7.173 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.649 8.000 -2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.590 5.332 -0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.801 5.749 -2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.498 7.287 0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.574 8.668 0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.068 7.027 0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.744 4.402 -2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.334 6.037 -2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.119 5.613 -1.099 1.00 0.00 H new ATOM 405 N GLN A 26 -6.898 9.380 0.155 1.00 0.00 N ATOM 406 CA GLN A 26 -7.181 10.603 0.912 1.00 0.00 C ATOM 407 C GLN A 26 -6.760 10.393 2.360 1.00 0.00 C ATOM 408 O GLN A 26 -6.468 11.340 3.091 1.00 0.00 O ATOM 409 CB GLN A 26 -8.675 10.932 0.854 1.00 0.00 C ATOM 410 CG GLN A 26 -9.049 11.345 -0.568 1.00 0.00 C ATOM 411 CD GLN A 26 -10.529 11.702 -0.631 1.00 0.00 C ATOM 412 OE1 GLN A 26 -10.957 12.425 -1.532 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.343 11.236 0.278 1.00 0.00 N ATOM 0 H GLN A 26 -7.614 8.660 0.248 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.626 11.434 0.477 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.262 10.065 1.159 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.909 11.736 1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.446 12.198 -0.879 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.832 10.532 -1.261 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.987 10.638 1.023 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.335 11.471 0.243 1.00 0.00 H new ATOM 422 N ASN A 27 -6.717 9.128 2.750 1.00 0.00 N ATOM 423 CA ASN A 27 -6.311 8.744 4.092 1.00 0.00 C ATOM 424 C ASN A 27 -5.637 7.389 4.013 1.00 0.00 C ATOM 425 O ASN A 27 -5.471 6.835 2.926 1.00 0.00 O ATOM 426 CB ASN A 27 -7.520 8.670 5.031 1.00 0.00 C ATOM 427 CG ASN A 27 -8.124 10.058 5.223 1.00 0.00 C ATOM 428 OD1 ASN A 27 -7.472 10.949 5.768 1.00 0.00 O ATOM 429 ND2 ASN A 27 -9.340 10.294 4.811 1.00 0.00 N ATOM 0 H ASN A 27 -6.962 8.342 2.147 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.625 9.491 4.491 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.269 7.993 4.619 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.217 8.261 5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.752 11.218 4.940 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.878 9.554 4.360 1.00 0.00 H new ATOM 436 N PHE A 28 -5.236 6.856 5.153 1.00 0.00 N ATOM 437 CA PHE A 28 -4.566 5.560 5.176 1.00 0.00 C ATOM 438 C PHE A 28 -5.526 4.479 5.649 1.00 0.00 C ATOM 439 O PHE A 28 -5.197 3.295 5.648 1.00 0.00 O ATOM 440 CB PHE A 28 -3.361 5.634 6.116 1.00 0.00 C ATOM 441 CG PHE A 28 -2.229 6.355 5.422 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.581 5.751 4.338 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.830 7.625 5.854 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.537 6.414 3.687 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.784 8.288 5.204 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.138 7.682 4.120 1.00 0.00 C ATOM 0 H PHE A 28 -5.359 7.291 6.067 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.231 5.310 4.169 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.632 6.157 7.033 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.047 4.630 6.402 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.888 4.771 4.004 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.330 8.093 6.689 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.039 5.947 2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.475 9.267 5.538 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.669 8.194 3.618 1.00 0.00 H new ATOM 456 N SER A 29 -6.704 4.906 6.084 1.00 0.00 N ATOM 457 CA SER A 29 -7.712 3.987 6.611 1.00 0.00 C ATOM 458 C SER A 29 -8.876 3.754 5.647 1.00 0.00 C ATOM 459 O SER A 29 -9.051 2.661 5.110 1.00 0.00 O ATOM 460 CB SER A 29 -8.268 4.569 7.908 1.00 0.00 C ATOM 461 OG SER A 29 -7.187 4.906 8.769 1.00 0.00 O ATOM 0 H SER A 29 -6.988 5.886 6.083 1.00 0.00 H new ATOM 0 HA SER A 29 -7.223 3.026 6.769 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.869 5.453 7.696 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.924 3.846 8.393 1.00 0.00 H new ATOM 0 HG SER A 29 -7.538 5.282 9.603 1.00 0.00 H new ATOM 467 N SER A 30 -9.682 4.788 5.462 1.00 0.00 N ATOM 468 CA SER A 30 -10.856 4.698 4.600 1.00 0.00 C ATOM 469 C SER A 30 -10.503 4.343 3.165 1.00 0.00 C ATOM 470 O SER A 30 -11.172 3.520 2.541 1.00 0.00 O ATOM 471 CB SER A 30 -11.597 6.034 4.603 1.00 0.00 C ATOM 472 OG SER A 30 -10.722 7.059 4.154 1.00 0.00 O ATOM 0 H SER A 30 -9.547 5.701 5.896 1.00 0.00 H new ATOM 0 HA SER A 30 -11.482 3.900 4.999 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.472 5.978 3.956 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.956 6.261 5.607 1.00 0.00 H new ATOM 0 HG SER A 30 -11.196 7.917 4.154 1.00 0.00 H new ATOM 478 N SER A 31 -9.476 4.976 2.635 1.00 0.00 N ATOM 479 CA SER A 31 -9.082 4.724 1.261 1.00 0.00 C ATOM 480 C SER A 31 -8.428 3.355 1.114 1.00 0.00 C ATOM 481 O SER A 31 -7.956 2.997 0.034 1.00 0.00 O ATOM 482 CB SER A 31 -8.129 5.815 0.794 1.00 0.00 C ATOM 483 OG SER A 31 -8.847 7.034 0.674 1.00 0.00 O ATOM 0 H SER A 31 -8.904 5.662 3.127 1.00 0.00 H new ATOM 0 HA SER A 31 -9.978 4.733 0.640 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.310 5.929 1.504 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.685 5.543 -0.164 1.00 0.00 H new ATOM 0 HG SER A 31 -8.846 7.323 -0.262 1.00 0.00 H new ATOM 489 N TRP A 32 -8.393 2.597 2.207 1.00 0.00 N ATOM 490 CA TRP A 32 -7.786 1.268 2.203 1.00 0.00 C ATOM 491 C TRP A 32 -8.820 0.176 2.480 1.00 0.00 C ATOM 492 O TRP A 32 -8.505 -1.012 2.405 1.00 0.00 O ATOM 493 CB TRP A 32 -6.718 1.237 3.284 1.00 0.00 C ATOM 494 CG TRP A 32 -5.582 2.094 2.871 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.646 3.432 2.716 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.221 1.705 2.568 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.404 3.889 2.325 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.489 2.861 2.224 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.558 0.470 2.554 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.142 2.794 1.883 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.201 0.396 2.207 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.494 1.557 1.874 1.00 0.00 C ATOM 0 H TRP A 32 -8.778 2.880 3.108 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.358 1.076 1.219 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.130 1.590 4.229 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.377 0.214 3.446 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.522 4.044 2.872 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.189 4.868 2.134 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.096 -0.430 2.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.601 3.693 1.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.700 -0.561 2.197 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.448 1.496 1.610 1.00 0.00 H new ATOM 513 N SER A 33 -10.041 0.575 2.823 1.00 0.00 N ATOM 514 CA SER A 33 -11.085 -0.389 3.131 1.00 0.00 C ATOM 515 C SER A 33 -11.298 -1.370 1.980 1.00 0.00 C ATOM 516 O SER A 33 -11.612 -2.538 2.208 1.00 0.00 O ATOM 517 CB SER A 33 -12.394 0.343 3.411 1.00 0.00 C ATOM 518 OG SER A 33 -12.756 1.112 2.271 1.00 0.00 O ATOM 0 H SER A 33 -10.328 1.551 2.894 1.00 0.00 H new ATOM 0 HA SER A 33 -10.771 -0.952 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.181 -0.373 3.646 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.283 0.991 4.281 1.00 0.00 H new ATOM 0 HG SER A 33 -12.275 1.966 2.286 1.00 0.00 H new ATOM 524 N SER A 34 -11.139 -0.896 0.748 1.00 0.00 N ATOM 525 CA SER A 34 -11.336 -1.753 -0.419 1.00 0.00 C ATOM 526 C SER A 34 -10.247 -2.815 -0.531 1.00 0.00 C ATOM 527 O SER A 34 -10.446 -3.850 -1.168 1.00 0.00 O ATOM 528 CB SER A 34 -11.329 -0.898 -1.690 1.00 0.00 C ATOM 529 OG SER A 34 -12.057 -1.574 -2.708 1.00 0.00 O ATOM 0 H SER A 34 -10.877 0.066 0.532 1.00 0.00 H new ATOM 0 HA SER A 34 -12.295 -2.257 -0.302 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.776 0.076 -1.491 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.305 -0.717 -2.016 1.00 0.00 H new ATOM 0 HG SER A 34 -12.334 -0.931 -3.394 1.00 0.00 H new ATOM 535 N GLY A 35 -9.085 -2.541 0.048 1.00 0.00 N ATOM 536 CA GLY A 35 -7.972 -3.474 -0.042 1.00 0.00 C ATOM 537 C GLY A 35 -7.292 -3.301 -1.390 1.00 0.00 C ATOM 538 O GLY A 35 -6.200 -3.809 -1.629 1.00 0.00 O ATOM 0 H GLY A 35 -8.891 -1.692 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.262 -3.292 0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.328 -4.498 0.072 1.00 0.00 H new ATOM 542 N MET A 36 -7.961 -2.549 -2.253 1.00 0.00 N ATOM 543 CA MET A 36 -7.462 -2.261 -3.584 1.00 0.00 C ATOM 544 C MET A 36 -6.159 -1.470 -3.500 1.00 0.00 C ATOM 545 O MET A 36 -5.308 -1.564 -4.384 1.00 0.00 O ATOM 546 CB MET A 36 -8.512 -1.454 -4.355 1.00 0.00 C ATOM 547 CG MET A 36 -9.840 -2.219 -4.385 1.00 0.00 C ATOM 548 SD MET A 36 -9.713 -3.627 -5.517 1.00 0.00 S ATOM 549 CE MET A 36 -10.396 -2.800 -6.977 1.00 0.00 C ATOM 0 H MET A 36 -8.865 -2.123 -2.047 1.00 0.00 H new ATOM 0 HA MET A 36 -7.267 -3.199 -4.104 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.653 -0.481 -3.884 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.166 -1.269 -5.372 1.00 0.00 H new ATOM 0 HG2 MET A 36 -10.092 -2.568 -3.383 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.645 -1.556 -4.703 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.429 -3.502 -7.810 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.404 -2.449 -6.758 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.766 -1.951 -7.243 1.00 0.00 H new ATOM 559 N ALA A 37 -6.019 -0.681 -2.440 1.00 0.00 N ATOM 560 CA ALA A 37 -4.819 0.130 -2.264 1.00 0.00 C ATOM 561 C ALA A 37 -3.574 -0.742 -2.070 1.00 0.00 C ATOM 562 O ALA A 37 -2.564 -0.548 -2.745 1.00 0.00 O ATOM 563 CB ALA A 37 -4.990 1.066 -1.067 1.00 0.00 C ATOM 0 H ALA A 37 -6.712 -0.586 -1.698 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.679 0.719 -3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.089 1.667 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.844 1.722 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.159 0.477 -0.166 1.00 0.00 H new ATOM 569 N PHE A 38 -3.636 -1.693 -1.135 1.00 0.00 N ATOM 570 CA PHE A 38 -2.483 -2.559 -0.871 1.00 0.00 C ATOM 571 C PHE A 38 -2.049 -3.298 -2.138 1.00 0.00 C ATOM 572 O PHE A 38 -0.860 -3.367 -2.445 1.00 0.00 O ATOM 573 CB PHE A 38 -2.823 -3.583 0.245 1.00 0.00 C ATOM 574 CG PHE A 38 -2.236 -3.137 1.573 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.843 -3.061 1.732 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.078 -2.800 2.634 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.302 -2.648 2.955 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.535 -2.386 3.855 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.149 -2.311 4.017 1.00 0.00 C ATOM 0 H PHE A 38 -4.455 -1.882 -0.558 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.658 -1.928 -0.540 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.904 -3.686 0.335 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.430 -4.564 -0.022 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.190 -3.321 0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.149 -2.859 2.512 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.769 -2.589 3.079 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.188 -2.124 4.674 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.732 -1.993 4.961 1.00 0.00 H new ATOM 589 N CYS A 39 -3.009 -3.857 -2.857 1.00 0.00 N ATOM 590 CA CYS A 39 -2.690 -4.591 -4.076 1.00 0.00 C ATOM 591 C CYS A 39 -2.155 -3.655 -5.161 1.00 0.00 C ATOM 592 O CYS A 39 -1.176 -3.968 -5.838 1.00 0.00 O ATOM 593 CB CYS A 39 -3.942 -5.314 -4.590 1.00 0.00 C ATOM 594 SG CYS A 39 -4.075 -6.931 -3.795 1.00 0.00 S ATOM 0 H CYS A 39 -4.002 -3.819 -2.625 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.915 -5.320 -3.840 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.831 -4.719 -4.379 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.888 -5.433 -5.672 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.692 -6.806 -2.658 1.00 0.00 H new ATOM 600 N ALA A 40 -2.830 -2.526 -5.326 1.00 0.00 N ATOM 601 CA ALA A 40 -2.464 -1.545 -6.344 1.00 0.00 C ATOM 602 C ALA A 40 -1.067 -0.973 -6.116 1.00 0.00 C ATOM 603 O ALA A 40 -0.297 -0.802 -7.061 1.00 0.00 O ATOM 604 CB ALA A 40 -3.481 -0.409 -6.324 1.00 0.00 C ATOM 0 H ALA A 40 -3.640 -2.263 -4.765 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.461 -2.049 -7.311 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.217 0.329 -7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.474 -0.806 -6.535 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.480 0.063 -5.341 1.00 0.00 H new ATOM 610 N LEU A 41 -0.752 -0.664 -4.865 1.00 0.00 N ATOM 611 CA LEU A 41 0.550 -0.090 -4.530 1.00 0.00 C ATOM 612 C LEU A 41 1.675 -1.060 -4.906 1.00 0.00 C ATOM 613 O LEU A 41 2.669 -0.670 -5.513 1.00 0.00 O ATOM 614 CB LEU A 41 0.570 0.211 -3.025 1.00 0.00 C ATOM 615 CG LEU A 41 1.890 0.872 -2.604 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.011 2.272 -3.232 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.910 0.989 -1.076 1.00 0.00 C ATOM 0 H LEU A 41 -1.374 -0.799 -4.068 1.00 0.00 H new ATOM 0 HA LEU A 41 0.709 0.831 -5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.264 0.866 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.430 -0.714 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 41 2.728 0.266 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.952 2.729 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.987 2.187 -4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.180 2.894 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.842 1.457 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.068 1.598 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.834 -0.004 -0.634 1.00 0.00 H new ATOM 629 N ILE A 42 1.498 -2.328 -4.553 1.00 0.00 N ATOM 630 CA ILE A 42 2.490 -3.362 -4.860 1.00 0.00 C ATOM 631 C ILE A 42 2.608 -3.574 -6.377 1.00 0.00 C ATOM 632 O ILE A 42 3.709 -3.731 -6.905 1.00 0.00 O ATOM 633 CB ILE A 42 2.066 -4.675 -4.174 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.135 -4.502 -2.643 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.965 -5.854 -4.596 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.563 -4.149 -2.171 1.00 0.00 C ATOM 0 H ILE A 42 0.677 -2.669 -4.053 1.00 0.00 H new ATOM 0 HA ILE A 42 3.465 -3.045 -4.489 1.00 0.00 H new ATOM 0 HB ILE A 42 1.045 -4.900 -4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.445 -3.717 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.808 -5.422 -2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.635 -6.762 -4.092 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.899 -5.994 -5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.998 -5.641 -4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.570 -4.035 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.248 -4.947 -2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.879 -3.215 -2.636 1.00 0.00 H new ATOM 648 N HIS A 43 1.470 -3.617 -7.060 1.00 0.00 N ATOM 649 CA HIS A 43 1.451 -3.847 -8.506 1.00 0.00 C ATOM 650 C HIS A 43 2.311 -2.820 -9.242 1.00 0.00 C ATOM 651 O HIS A 43 2.658 -3.003 -10.409 1.00 0.00 O ATOM 652 CB HIS A 43 0.005 -3.751 -9.004 1.00 0.00 C ATOM 653 CG HIS A 43 -0.086 -4.247 -10.420 1.00 0.00 C ATOM 654 ND1 HIS A 43 0.335 -3.490 -11.500 1.00 0.00 N ATOM 655 CD2 HIS A 43 -0.567 -5.417 -10.949 1.00 0.00 C ATOM 656 CE1 HIS A 43 0.099 -4.206 -12.615 1.00 0.00 C ATOM 657 NE2 HIS A 43 -0.450 -5.391 -12.336 1.00 0.00 N ATOM 0 H HIS A 43 0.548 -3.496 -6.640 1.00 0.00 H new ATOM 0 HA HIS A 43 1.860 -4.837 -8.707 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.649 -4.340 -8.361 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.339 -2.718 -8.949 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.975 -6.236 -10.376 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.326 -3.864 -13.614 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.724 -6.119 -12.996 1.00 0.00 H new ATOM 665 N LYS A 44 2.634 -1.737 -8.549 1.00 0.00 N ATOM 666 CA LYS A 44 3.437 -0.664 -9.130 1.00 0.00 C ATOM 667 C LYS A 44 4.894 -1.072 -9.315 1.00 0.00 C ATOM 668 O LYS A 44 5.523 -0.735 -10.319 1.00 0.00 O ATOM 669 CB LYS A 44 3.378 0.574 -8.226 1.00 0.00 C ATOM 670 CG LYS A 44 4.150 1.745 -8.845 1.00 0.00 C ATOM 671 CD LYS A 44 3.579 2.092 -10.225 1.00 0.00 C ATOM 672 CE LYS A 44 3.964 3.523 -10.604 1.00 0.00 C ATOM 673 NZ LYS A 44 3.959 3.658 -12.083 1.00 0.00 N ATOM 0 H LYS A 44 2.353 -1.576 -7.582 1.00 0.00 H new ATOM 0 HA LYS A 44 3.020 -0.442 -10.112 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.339 0.863 -8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.796 0.335 -7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.090 2.615 -8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.205 1.486 -8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.959 1.394 -10.971 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.494 1.989 -10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.263 4.230 -10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.951 3.763 -10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.831 4.658 -12.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.863 3.316 -12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.180 3.096 -12.480 1.00 0.00 H new ATOM 687 N PHE A 45 5.434 -1.772 -8.322 1.00 0.00 N ATOM 688 CA PHE A 45 6.834 -2.187 -8.354 1.00 0.00 C ATOM 689 C PHE A 45 6.993 -3.629 -8.839 1.00 0.00 C ATOM 690 O PHE A 45 8.097 -4.057 -9.169 1.00 0.00 O ATOM 691 CB PHE A 45 7.416 -2.053 -6.941 1.00 0.00 C ATOM 692 CG PHE A 45 6.803 -0.856 -6.236 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.944 0.434 -6.770 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.093 -1.040 -5.040 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.377 1.533 -6.106 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.528 0.056 -4.381 1.00 0.00 C ATOM 697 CZ PHE A 45 5.670 1.342 -4.913 1.00 0.00 C ATOM 0 H PHE A 45 4.926 -2.064 -7.487 1.00 0.00 H new ATOM 0 HA PHE A 45 7.367 -1.546 -9.056 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.219 -2.961 -6.371 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.499 -1.938 -6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.488 0.581 -7.691 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.983 -2.032 -4.627 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.486 2.526 -6.516 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.982 -0.090 -3.461 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.234 2.188 -4.403 1.00 0.00 H new ATOM 707 N PHE A 46 5.896 -4.376 -8.858 1.00 0.00 N ATOM 708 CA PHE A 46 5.934 -5.779 -9.281 1.00 0.00 C ATOM 709 C PHE A 46 4.833 -6.082 -10.309 1.00 0.00 C ATOM 710 O PHE A 46 3.709 -6.397 -9.928 1.00 0.00 O ATOM 711 CB PHE A 46 5.747 -6.635 -8.034 1.00 0.00 C ATOM 712 CG PHE A 46 6.762 -6.210 -7.007 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.097 -6.595 -7.156 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.377 -5.425 -5.918 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.047 -6.198 -6.212 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.327 -5.028 -4.971 1.00 0.00 C ATOM 717 CZ PHE A 46 8.659 -5.414 -5.118 1.00 0.00 C ATOM 0 H PHE A 46 4.971 -4.040 -8.588 1.00 0.00 H new ATOM 0 HA PHE A 46 6.887 -5.997 -9.763 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.737 -6.516 -7.641 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.872 -7.690 -8.277 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.394 -7.199 -8.000 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.346 -5.124 -5.807 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.079 -6.495 -6.325 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.029 -4.423 -4.127 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.393 -5.108 -4.387 1.00 0.00 H new ATOM 727 N PRO A 47 5.108 -5.990 -11.604 1.00 0.00 N ATOM 728 CA PRO A 47 4.079 -6.269 -12.654 1.00 0.00 C ATOM 729 C PRO A 47 3.832 -7.767 -12.829 1.00 0.00 C ATOM 730 O PRO A 47 2.693 -8.213 -12.949 1.00 0.00 O ATOM 731 CB PRO A 47 4.662 -5.653 -13.952 1.00 0.00 C ATOM 732 CG PRO A 47 6.002 -5.064 -13.585 1.00 0.00 C ATOM 733 CD PRO A 47 6.398 -5.636 -12.217 1.00 0.00 C ATOM 0 HA PRO A 47 3.112 -5.844 -12.386 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.771 -6.412 -14.726 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.997 -4.886 -14.350 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.750 -5.315 -14.337 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.944 -3.976 -13.544 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.046 -6.507 -12.319 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.939 -4.904 -11.618 1.00 0.00 H new ATOM 741 N GLU A 48 4.919 -8.530 -12.839 1.00 0.00 N ATOM 742 CA GLU A 48 4.820 -9.971 -12.994 1.00 0.00 C ATOM 743 C GLU A 48 4.008 -10.538 -11.837 1.00 0.00 C ATOM 744 O GLU A 48 3.571 -11.690 -11.862 1.00 0.00 O ATOM 745 CB GLU A 48 6.229 -10.589 -13.014 1.00 0.00 C ATOM 746 CG GLU A 48 7.001 -10.074 -14.239 1.00 0.00 C ATOM 747 CD GLU A 48 6.568 -10.827 -15.495 1.00 0.00 C ATOM 748 OE1 GLU A 48 5.546 -11.492 -15.443 1.00 0.00 O ATOM 749 OE2 GLU A 48 7.264 -10.727 -16.492 1.00 0.00 O ATOM 0 H GLU A 48 5.871 -8.176 -12.742 1.00 0.00 H new ATOM 0 HA GLU A 48 4.323 -10.211 -13.934 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.763 -10.330 -12.100 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.160 -11.676 -13.046 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.822 -9.006 -14.367 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.072 -10.201 -14.082 1.00 0.00 H new ATOM 756 N ALA A 49 3.833 -9.696 -10.824 1.00 0.00 N ATOM 757 CA ALA A 49 3.092 -10.065 -9.621 1.00 0.00 C ATOM 758 C ALA A 49 1.752 -10.690 -9.952 1.00 0.00 C ATOM 759 O ALA A 49 1.526 -11.878 -9.737 1.00 0.00 O ATOM 760 CB ALA A 49 2.832 -8.818 -8.781 1.00 0.00 C ATOM 0 H ALA A 49 4.198 -8.744 -10.812 1.00 0.00 H new ATOM 0 HA ALA A 49 3.697 -10.791 -9.078 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.279 -9.093 -7.883 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.782 -8.366 -8.498 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.249 -8.103 -9.362 1.00 0.00 H new ATOM 766 N PHE A 50 0.869 -9.866 -10.492 1.00 0.00 N ATOM 767 CA PHE A 50 -0.454 -10.305 -10.871 1.00 0.00 C ATOM 768 C PHE A 50 -1.138 -9.221 -11.687 1.00 0.00 C ATOM 769 O PHE A 50 -0.714 -8.069 -11.686 1.00 0.00 O ATOM 770 CB PHE A 50 -1.293 -10.614 -9.626 1.00 0.00 C ATOM 771 CG PHE A 50 -1.183 -9.476 -8.634 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.979 -8.332 -8.784 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.288 -9.568 -7.558 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.878 -7.281 -7.859 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.187 -8.517 -6.636 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.980 -7.374 -6.786 1.00 0.00 C ATOM 0 H PHE A 50 1.053 -8.880 -10.677 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.363 -11.212 -11.469 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.335 -10.763 -9.907 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.951 -11.542 -9.167 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.670 -8.259 -9.611 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.324 -10.450 -7.440 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.492 -6.400 -7.974 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.504 -8.590 -5.809 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.901 -6.564 -6.076 1.00 0.00 H new ATOM 786 N ASP A 51 -2.212 -9.589 -12.366 1.00 0.00 N ATOM 787 CA ASP A 51 -2.970 -8.629 -13.158 1.00 0.00 C ATOM 788 C ASP A 51 -3.960 -7.905 -12.252 1.00 0.00 C ATOM 789 O ASP A 51 -5.033 -8.417 -11.948 1.00 0.00 O ATOM 790 CB ASP A 51 -3.724 -9.348 -14.283 1.00 0.00 C ATOM 791 CG ASP A 51 -2.778 -9.687 -15.428 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.638 -9.259 -15.378 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.210 -10.370 -16.341 1.00 0.00 O ATOM 0 H ASP A 51 -2.579 -10.540 -12.386 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.285 -7.908 -13.604 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.180 -10.260 -13.898 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.534 -8.716 -14.648 1.00 0.00 H new ATOM 798 N TYR A 52 -3.582 -6.718 -11.791 1.00 0.00 N ATOM 799 CA TYR A 52 -4.433 -5.941 -10.899 1.00 0.00 C ATOM 800 C TYR A 52 -5.745 -5.586 -11.568 1.00 0.00 C ATOM 801 O TYR A 52 -6.744 -5.322 -10.899 1.00 0.00 O ATOM 802 CB TYR A 52 -3.717 -4.645 -10.513 1.00 0.00 C ATOM 803 CG TYR A 52 -4.655 -3.734 -9.744 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.479 -2.836 -10.434 1.00 0.00 C ATOM 805 CD2 TYR A 52 -4.711 -3.797 -8.347 1.00 0.00 C ATOM 806 CE1 TYR A 52 -6.355 -1.999 -9.728 1.00 0.00 C ATOM 807 CE2 TYR A 52 -5.587 -2.964 -7.642 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.409 -2.065 -8.331 1.00 0.00 C ATOM 809 OH TYR A 52 -7.270 -1.243 -7.635 1.00 0.00 O ATOM 0 H TYR A 52 -2.693 -6.274 -12.020 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.638 -6.545 -10.015 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.841 -4.873 -9.906 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.360 -4.138 -11.409 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.440 -2.788 -11.512 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.077 -4.489 -7.812 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.987 -1.304 -10.261 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.629 -3.015 -6.564 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.926 -0.858 -8.253 1.00 0.00 H new ATOM 819 N ALA A 53 -5.735 -5.574 -12.886 1.00 0.00 N ATOM 820 CA ALA A 53 -6.931 -5.240 -13.640 1.00 0.00 C ATOM 821 C ALA A 53 -7.873 -6.434 -13.715 1.00 0.00 C ATOM 822 O ALA A 53 -9.061 -6.277 -14.004 1.00 0.00 O ATOM 823 CB ALA A 53 -6.539 -4.806 -15.050 1.00 0.00 C ATOM 0 H ALA A 53 -4.918 -5.790 -13.456 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.447 -4.425 -13.133 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.436 -4.555 -15.616 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.889 -3.933 -14.994 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.011 -5.620 -15.548 1.00 0.00 H new ATOM 829 N GLU A 54 -7.342 -7.626 -13.456 1.00 0.00 N ATOM 830 CA GLU A 54 -8.134 -8.839 -13.497 1.00 0.00 C ATOM 831 C GLU A 54 -8.864 -9.056 -12.180 1.00 0.00 C ATOM 832 O GLU A 54 -9.841 -9.802 -12.122 1.00 0.00 O ATOM 833 CB GLU A 54 -7.198 -10.026 -13.742 1.00 0.00 C ATOM 834 CG GLU A 54 -6.933 -10.199 -15.241 1.00 0.00 C ATOM 835 CD GLU A 54 -8.198 -10.682 -15.943 1.00 0.00 C ATOM 836 OE1 GLU A 54 -8.992 -11.346 -15.296 1.00 0.00 O ATOM 837 OE2 GLU A 54 -8.356 -10.381 -17.114 1.00 0.00 O ATOM 0 H GLU A 54 -6.362 -7.772 -13.215 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.871 -8.751 -14.295 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.256 -9.869 -13.216 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.641 -10.936 -13.338 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.607 -9.253 -15.672 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.126 -10.915 -15.396 1.00 0.00 H new ATOM 844 N LEU A 55 -8.379 -8.415 -11.126 1.00 0.00 N ATOM 845 CA LEU A 55 -8.983 -8.562 -9.812 1.00 0.00 C ATOM 846 C LEU A 55 -10.409 -8.026 -9.797 1.00 0.00 C ATOM 847 O LEU A 55 -10.966 -7.682 -10.841 1.00 0.00 O ATOM 848 CB LEU A 55 -8.126 -7.810 -8.798 1.00 0.00 C ATOM 849 CG LEU A 55 -6.764 -8.518 -8.648 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.800 -7.640 -7.834 1.00 0.00 C ATOM 851 CD2 LEU A 55 -6.944 -9.888 -7.952 1.00 0.00 C ATOM 0 H LEU A 55 -7.573 -7.791 -11.156 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.029 -9.620 -9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.978 -6.780 -9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.635 -7.770 -7.835 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.345 -8.681 -9.641 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.841 -8.149 -7.734 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.654 -6.689 -8.346 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.220 -7.459 -6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.974 -10.376 -7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.378 -9.740 -6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.607 -10.515 -8.549 1.00 0.00 H new ATOM 863 N ASP A 56 -10.998 -7.979 -8.603 1.00 0.00 N ATOM 864 CA ASP A 56 -12.363 -7.508 -8.443 1.00 0.00 C ATOM 865 C ASP A 56 -12.581 -6.991 -7.003 1.00 0.00 C ATOM 866 O ASP A 56 -12.130 -7.628 -6.046 1.00 0.00 O ATOM 867 CB ASP A 56 -13.332 -8.663 -8.737 1.00 0.00 C ATOM 868 CG ASP A 56 -13.578 -8.790 -10.239 1.00 0.00 C ATOM 869 OD1 ASP A 56 -14.043 -7.827 -10.824 1.00 0.00 O ATOM 870 OD2 ASP A 56 -13.301 -9.848 -10.776 1.00 0.00 O ATOM 0 H ASP A 56 -10.546 -8.263 -7.734 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.548 -6.689 -9.139 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.922 -9.596 -8.350 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.277 -8.492 -8.222 1.00 0.00 H new ATOM 875 N PRO A 57 -13.247 -5.867 -6.826 1.00 0.00 N ATOM 876 CA PRO A 57 -13.482 -5.294 -5.469 1.00 0.00 C ATOM 877 C PRO A 57 -14.167 -6.330 -4.583 1.00 0.00 C ATOM 878 O PRO A 57 -14.059 -6.295 -3.357 1.00 0.00 O ATOM 879 CB PRO A 57 -14.418 -4.079 -5.706 1.00 0.00 C ATOM 880 CG PRO A 57 -14.740 -4.045 -7.178 1.00 0.00 C ATOM 881 CD PRO A 57 -13.818 -5.027 -7.889 1.00 0.00 C ATOM 0 HA PRO A 57 -12.557 -5.004 -4.971 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.329 -4.174 -5.115 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.933 -3.153 -5.397 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.783 -4.313 -7.345 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.602 -3.039 -7.574 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -14.368 -5.629 -8.612 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.036 -4.504 -8.439 1.00 0.00 H new ATOM 889 N ALA A 58 -14.871 -7.247 -5.233 1.00 0.00 N ATOM 890 CA ALA A 58 -15.582 -8.305 -4.528 1.00 0.00 C ATOM 891 C ALA A 58 -14.594 -9.241 -3.839 1.00 0.00 C ATOM 892 O ALA A 58 -14.803 -9.661 -2.701 1.00 0.00 O ATOM 893 CB ALA A 58 -16.423 -9.102 -5.527 1.00 0.00 C ATOM 0 H ALA A 58 -14.965 -7.280 -6.248 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.227 -7.855 -3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.956 -9.895 -5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.141 -8.439 -6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.771 -9.541 -6.282 1.00 0.00 H new ATOM 899 N LYS A 59 -13.524 -9.565 -4.558 1.00 0.00 N ATOM 900 CA LYS A 59 -12.489 -10.462 -4.049 1.00 0.00 C ATOM 901 C LYS A 59 -11.500 -9.722 -3.152 1.00 0.00 C ATOM 902 O LYS A 59 -10.298 -9.710 -3.421 1.00 0.00 O ATOM 903 CB LYS A 59 -11.737 -11.074 -5.238 1.00 0.00 C ATOM 904 CG LYS A 59 -12.690 -11.970 -6.067 1.00 0.00 C ATOM 905 CD LYS A 59 -12.503 -13.449 -5.685 1.00 0.00 C ATOM 906 CE LYS A 59 -11.312 -14.036 -6.448 1.00 0.00 C ATOM 907 NZ LYS A 59 -11.190 -15.482 -6.126 1.00 0.00 N ATOM 0 H LYS A 59 -13.349 -9.218 -5.501 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.967 -11.240 -3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.330 -10.282 -5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.892 -11.662 -4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.724 -11.671 -5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.493 -11.835 -7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.338 -13.539 -4.611 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.408 -14.011 -5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.450 -13.900 -7.521 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.396 -13.512 -6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.382 -15.886 -6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.041 -15.599 -5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.062 -15.975 -6.407 1.00 0.00 H new ATOM 921 N ARG A 60 -12.008 -9.101 -2.091 1.00 0.00 N ATOM 922 CA ARG A 60 -11.153 -8.352 -1.172 1.00 0.00 C ATOM 923 C ARG A 60 -10.277 -9.280 -0.319 1.00 0.00 C ATOM 924 O ARG A 60 -9.089 -9.018 -0.137 1.00 0.00 O ATOM 925 CB ARG A 60 -12.024 -7.480 -0.264 1.00 0.00 C ATOM 926 CG ARG A 60 -12.880 -8.374 0.635 1.00 0.00 C ATOM 927 CD ARG A 60 -13.935 -7.531 1.345 1.00 0.00 C ATOM 928 NE ARG A 60 -13.295 -6.600 2.267 1.00 0.00 N ATOM 929 CZ ARG A 60 -13.968 -5.584 2.795 1.00 0.00 C ATOM 930 NH1 ARG A 60 -15.091 -5.800 3.423 1.00 0.00 N ATOM 931 NH2 ARG A 60 -13.503 -4.369 2.686 1.00 0.00 N ATOM 0 H ARG A 60 -12.998 -9.100 -1.847 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.487 -7.727 -1.766 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.396 -6.829 0.344 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.663 -6.834 -0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.361 -9.150 0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.250 -8.879 1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.526 -6.981 0.612 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.623 -8.178 1.889 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.313 -6.731 2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.453 -6.750 3.509 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.607 -5.019 3.828 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.624 -4.201 2.196 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.018 -3.587 3.091 1.00 0.00 H new ATOM 945 N ARG A 61 -10.863 -10.346 0.216 1.00 0.00 N ATOM 946 CA ARG A 61 -10.103 -11.262 1.064 1.00 0.00 C ATOM 947 C ARG A 61 -8.839 -11.712 0.349 1.00 0.00 C ATOM 948 O ARG A 61 -7.738 -11.675 0.907 1.00 0.00 O ATOM 949 CB ARG A 61 -10.947 -12.492 1.373 1.00 0.00 C ATOM 950 CG ARG A 61 -12.146 -12.096 2.232 1.00 0.00 C ATOM 951 CD ARG A 61 -13.029 -13.321 2.462 1.00 0.00 C ATOM 952 NE ARG A 61 -12.312 -14.317 3.254 1.00 0.00 N ATOM 953 CZ ARG A 61 -12.329 -14.284 4.585 1.00 0.00 C ATOM 954 NH1 ARG A 61 -13.453 -14.448 5.226 1.00 0.00 N ATOM 955 NH2 ARG A 61 -11.222 -14.085 5.250 1.00 0.00 N ATOM 0 H ARG A 61 -11.843 -10.596 0.082 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.839 -10.744 1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.289 -12.952 0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.345 -13.236 1.894 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.807 -11.694 3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.717 -11.309 1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.944 -13.027 2.976 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.324 -13.751 1.505 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.788 -15.052 2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.318 -14.601 4.708 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.467 -14.423 6.246 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.343 -13.955 4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.237 -14.060 6.270 1.00 0.00 H new ATOM 969 N HIS A 62 -9.012 -12.117 -0.897 1.00 0.00 N ATOM 970 CA HIS A 62 -7.901 -12.563 -1.714 1.00 0.00 C ATOM 971 C HIS A 62 -6.966 -11.397 -2.028 1.00 0.00 C ATOM 972 O HIS A 62 -5.754 -11.573 -2.127 1.00 0.00 O ATOM 973 CB HIS A 62 -8.447 -13.151 -3.012 1.00 0.00 C ATOM 974 CG HIS A 62 -9.117 -14.471 -2.730 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.469 -15.683 -2.906 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.378 -14.783 -2.285 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.336 -16.659 -2.575 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.513 -16.165 -2.188 1.00 0.00 N ATOM 0 H HIS A 62 -9.917 -12.146 -1.366 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.336 -13.320 -1.170 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.159 -12.460 -3.464 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.637 -13.289 -3.729 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.148 -14.065 -2.046 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -9.106 -17.713 -2.618 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.335 -16.688 -1.886 1.00 0.00 H new ATOM 986 N ASN A 63 -7.543 -10.210 -2.187 1.00 0.00 N ATOM 987 CA ASN A 63 -6.760 -9.012 -2.498 1.00 0.00 C ATOM 988 C ASN A 63 -5.770 -8.722 -1.386 1.00 0.00 C ATOM 989 O ASN A 63 -4.605 -8.420 -1.636 1.00 0.00 O ATOM 990 CB ASN A 63 -7.699 -7.814 -2.649 1.00 0.00 C ATOM 991 CG ASN A 63 -6.963 -6.604 -3.220 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.201 -5.949 -2.513 1.00 0.00 O ATOM 993 ND2 ASN A 63 -7.169 -6.257 -4.461 1.00 0.00 N ATOM 0 H ASN A 63 -8.547 -10.049 -2.107 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.216 -9.184 -3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.529 -8.080 -3.303 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.126 -7.559 -1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.697 -5.440 -4.847 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.802 -6.803 -5.045 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.231 -8.836 -0.153 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.347 -8.591 0.976 1.00 0.00 C ATOM 1002 C PHE A 64 -4.269 -9.672 1.030 1.00 0.00 C ATOM 1003 O PHE A 64 -3.077 -9.370 1.006 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.151 -8.558 2.285 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.839 -7.212 2.442 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.097 -6.090 2.839 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.210 -7.087 2.192 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.727 -4.848 2.983 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.840 -5.843 2.339 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.098 -4.725 2.732 1.00 0.00 C ATOM 0 H PHE A 64 -7.188 -9.090 0.091 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.865 -7.622 0.850 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.893 -9.357 2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.489 -8.738 3.132 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.039 -6.184 3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.783 -7.949 1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.154 -3.984 3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.899 -5.748 2.149 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.583 -3.766 2.842 1.00 0.00 H new ATOM 1020 N THR A 65 -4.696 -10.929 1.090 1.00 0.00 N ATOM 1021 CA THR A 65 -3.741 -12.031 1.140 1.00 0.00 C ATOM 1022 C THR A 65 -2.737 -11.883 0.005 1.00 0.00 C ATOM 1023 O THR A 65 -1.536 -12.091 0.185 1.00 0.00 O ATOM 1024 CB THR A 65 -4.453 -13.380 0.997 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.576 -13.422 1.865 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.478 -14.505 1.362 1.00 0.00 C ATOM 0 H THR A 65 -5.677 -11.207 1.105 1.00 0.00 H new ATOM 0 HA THR A 65 -3.233 -12.000 2.104 1.00 0.00 H new ATOM 0 HB THR A 65 -4.791 -13.508 -0.031 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.332 -12.961 1.445 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.979 -15.468 1.262 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.618 -14.473 0.693 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.142 -14.376 2.391 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.249 -11.529 -1.163 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.415 -11.359 -2.343 1.00 0.00 C ATOM 1036 C LEU A 66 -1.362 -10.289 -2.121 1.00 0.00 C ATOM 1037 O LEU A 66 -0.184 -10.504 -2.393 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.310 -10.949 -3.513 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.496 -10.721 -4.793 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.860 -12.036 -5.259 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.447 -10.200 -5.873 1.00 0.00 C ATOM 0 H LEU A 66 -4.241 -11.353 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.905 -12.299 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.057 -11.723 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.850 -10.037 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.699 -10.002 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.285 -11.860 -6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.199 -12.417 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.643 -12.767 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.892 -10.029 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.231 -10.935 -6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.896 -9.264 -5.541 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.784 -9.130 -1.646 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.846 -8.049 -1.430 1.00 0.00 C ATOM 1055 C ALA A 67 0.236 -8.481 -0.461 1.00 0.00 C ATOM 1056 O ALA A 67 1.409 -8.146 -0.633 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.569 -6.828 -0.874 1.00 0.00 C ATOM 0 H ALA A 67 -2.753 -8.918 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.390 -7.791 -2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.853 -6.022 -0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.331 -6.503 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.041 -7.085 0.074 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.166 -9.224 0.555 1.00 0.00 N ATOM 1064 CA PHE A 68 0.776 -9.694 1.550 1.00 0.00 C ATOM 1065 C PHE A 68 1.604 -10.864 1.016 1.00 0.00 C ATOM 1066 O PHE A 68 2.823 -10.882 1.165 1.00 0.00 O ATOM 1067 CB PHE A 68 0.029 -10.098 2.829 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.642 -8.878 3.452 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.133 -7.801 3.906 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -2.041 -8.829 3.588 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.483 -6.684 4.486 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.654 -7.710 4.170 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.876 -6.638 4.618 1.00 0.00 C ATOM 0 H PHE A 68 -1.132 -9.512 0.711 1.00 0.00 H new ATOM 0 HA PHE A 68 1.464 -8.881 1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.719 -10.856 2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.725 -10.543 3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.208 -7.833 3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.645 -9.655 3.243 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.118 -5.856 4.832 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.729 -7.676 4.272 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.349 -5.776 5.065 1.00 0.00 H new ATOM 1083 N SER A 69 0.941 -11.838 0.398 1.00 0.00 N ATOM 1084 CA SER A 69 1.652 -12.994 -0.137 1.00 0.00 C ATOM 1085 C SER A 69 2.572 -12.581 -1.281 1.00 0.00 C ATOM 1086 O SER A 69 3.608 -13.207 -1.510 1.00 0.00 O ATOM 1087 CB SER A 69 0.661 -14.047 -0.638 1.00 0.00 C ATOM 1088 OG SER A 69 0.034 -14.665 0.476 1.00 0.00 O ATOM 0 H SER A 69 -0.069 -11.851 0.257 1.00 0.00 H new ATOM 0 HA SER A 69 2.253 -13.418 0.667 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.087 -13.583 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.179 -14.794 -1.240 1.00 0.00 H new ATOM 0 HG SER A 69 -0.603 -15.339 0.160 1.00 0.00 H new ATOM 1094 N THR A 70 2.213 -11.507 -1.978 1.00 0.00 N ATOM 1095 CA THR A 70 3.050 -11.024 -3.064 1.00 0.00 C ATOM 1096 C THR A 70 4.253 -10.269 -2.506 1.00 0.00 C ATOM 1097 O THR A 70 5.395 -10.541 -2.878 1.00 0.00 O ATOM 1098 CB THR A 70 2.259 -10.106 -4.001 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.038 -10.735 -4.369 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.088 -9.833 -5.266 1.00 0.00 C ATOM 0 H THR A 70 1.364 -10.966 -1.813 1.00 0.00 H new ATOM 0 HA THR A 70 3.395 -11.888 -3.632 1.00 0.00 H new ATOM 0 HB THR A 70 2.045 -9.167 -3.490 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.302 -10.349 -3.850 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.527 -9.180 -5.935 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.026 -9.351 -4.990 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.300 -10.775 -5.772 1.00 0.00 H new ATOM 1108 N ALA A 71 3.990 -9.315 -1.622 1.00 0.00 N ATOM 1109 CA ALA A 71 5.062 -8.522 -1.033 1.00 0.00 C ATOM 1110 C ALA A 71 6.017 -9.405 -0.240 1.00 0.00 C ATOM 1111 O ALA A 71 7.222 -9.153 -0.212 1.00 0.00 O ATOM 1112 CB ALA A 71 4.484 -7.444 -0.114 1.00 0.00 C ATOM 0 H ALA A 71 3.053 -9.073 -1.299 1.00 0.00 H new ATOM 0 HA ALA A 71 5.613 -8.047 -1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.297 -6.860 0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.831 -6.787 -0.689 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.911 -7.916 0.685 1.00 0.00 H new ATOM 1118 N GLU A 72 5.482 -10.438 0.405 1.00 0.00 N ATOM 1119 CA GLU A 72 6.318 -11.333 1.188 1.00 0.00 C ATOM 1120 C GLU A 72 7.188 -12.194 0.274 1.00 0.00 C ATOM 1121 O GLU A 72 8.395 -12.302 0.466 1.00 0.00 O ATOM 1122 CB GLU A 72 5.446 -12.235 2.072 1.00 0.00 C ATOM 1123 CG GLU A 72 6.329 -12.984 3.078 1.00 0.00 C ATOM 1124 CD GLU A 72 6.836 -12.021 4.148 1.00 0.00 C ATOM 1125 OE1 GLU A 72 6.326 -10.914 4.213 1.00 0.00 O ATOM 1126 OE2 GLU A 72 7.713 -12.413 4.901 1.00 0.00 O ATOM 0 H GLU A 72 4.489 -10.671 0.400 1.00 0.00 H new ATOM 0 HA GLU A 72 6.966 -10.728 1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.705 -11.635 2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.899 -12.947 1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.761 -13.790 3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.172 -13.444 2.562 1.00 0.00 H new ATOM 1133 N LYS A 73 6.583 -12.820 -0.722 1.00 0.00 N ATOM 1134 CA LYS A 73 7.351 -13.673 -1.614 1.00 0.00 C ATOM 1135 C LYS A 73 8.441 -12.868 -2.323 1.00 0.00 C ATOM 1136 O LYS A 73 9.561 -13.349 -2.498 1.00 0.00 O ATOM 1137 CB LYS A 73 6.416 -14.309 -2.652 1.00 0.00 C ATOM 1138 CG LYS A 73 7.166 -15.371 -3.485 1.00 0.00 C ATOM 1139 CD LYS A 73 6.420 -15.648 -4.803 1.00 0.00 C ATOM 1140 CE LYS A 73 5.210 -16.546 -4.536 1.00 0.00 C ATOM 1141 NZ LYS A 73 5.680 -17.891 -4.097 1.00 0.00 N ATOM 0 H LYS A 73 5.587 -12.757 -0.931 1.00 0.00 H new ATOM 0 HA LYS A 73 7.827 -14.456 -1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.565 -14.769 -2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.018 -13.537 -3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.178 -15.026 -3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.258 -16.293 -2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.095 -14.709 -5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.090 -16.128 -5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.576 -16.102 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.604 -16.636 -5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.960 -18.604 -4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.570 -18.123 -4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.838 -17.885 -3.069 1.00 0.00 H new ATOM 1155 N LEU A 74 8.101 -11.653 -2.747 1.00 0.00 N ATOM 1156 CA LEU A 74 9.047 -10.803 -3.459 1.00 0.00 C ATOM 1157 C LEU A 74 9.981 -10.034 -2.524 1.00 0.00 C ATOM 1158 O LEU A 74 11.174 -9.928 -2.808 1.00 0.00 O ATOM 1159 CB LEU A 74 8.277 -9.808 -4.333 1.00 0.00 C ATOM 1160 CG LEU A 74 7.478 -10.550 -5.420 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.620 -9.545 -6.201 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.432 -11.273 -6.393 1.00 0.00 C ATOM 0 H LEU A 74 7.180 -11.237 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 74 9.669 -11.458 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.600 -9.219 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.973 -9.109 -4.798 1.00 0.00 H new ATOM 0 HG LEU A 74 6.837 -11.290 -4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.054 -10.070 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.930 -9.048 -5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.266 -8.802 -6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.850 -11.792 -7.155 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.086 -10.543 -6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.035 -11.995 -5.842 1.00 0.00 H new ATOM 1174 N ALA A 75 9.453 -9.459 -1.436 1.00 0.00 N ATOM 1175 CA ALA A 75 10.291 -8.661 -0.526 1.00 0.00 C ATOM 1176 C ALA A 75 10.314 -9.210 0.899 1.00 0.00 C ATOM 1177 O ALA A 75 10.947 -8.616 1.770 1.00 0.00 O ATOM 1178 CB ALA A 75 9.772 -7.223 -0.498 1.00 0.00 C ATOM 0 H ALA A 75 8.472 -9.527 -1.166 1.00 0.00 H new ATOM 0 HA ALA A 75 11.311 -8.705 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.389 -6.627 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.817 -6.800 -1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.740 -7.215 -0.147 1.00 0.00 H new ATOM 1184 N ASP A 76 9.653 -10.338 1.145 1.00 0.00 N ATOM 1185 CA ASP A 76 9.660 -10.904 2.494 1.00 0.00 C ATOM 1186 C ASP A 76 9.309 -9.820 3.510 1.00 0.00 C ATOM 1187 O ASP A 76 9.861 -9.773 4.607 1.00 0.00 O ATOM 1188 CB ASP A 76 11.047 -11.468 2.790 1.00 0.00 C ATOM 1189 CG ASP A 76 10.995 -12.360 4.025 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.326 -13.378 3.970 1.00 0.00 O ATOM 1191 OD2 ASP A 76 11.627 -12.010 5.008 1.00 0.00 O ATOM 0 H ASP A 76 9.121 -10.866 0.453 1.00 0.00 H new ATOM 0 HA ASP A 76 8.921 -11.702 2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.407 -12.039 1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.753 -10.653 2.949 1.00 0.00 H new ATOM 1196 N CYS A 77 8.393 -8.944 3.108 1.00 0.00 N ATOM 1197 CA CYS A 77 7.953 -7.828 3.942 1.00 0.00 C ATOM 1198 C CYS A 77 7.582 -8.264 5.363 1.00 0.00 C ATOM 1199 O CYS A 77 7.880 -9.377 5.795 1.00 0.00 O ATOM 1200 CB CYS A 77 6.746 -7.155 3.278 1.00 0.00 C ATOM 1201 SG CYS A 77 6.649 -5.426 3.803 1.00 0.00 S ATOM 0 H CYS A 77 7.935 -8.987 2.197 1.00 0.00 H new ATOM 0 HA CYS A 77 8.786 -7.131 4.029 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.837 -7.211 2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 77 5.830 -7.680 3.549 1.00 0.00 H new ATOM 0 HG CYS A 77 5.403 -5.060 3.862 1.00 0.00 H new ATOM 1207 N ALA A 78 6.910 -7.357 6.072 1.00 0.00 N ATOM 1208 CA ALA A 78 6.468 -7.609 7.442 1.00 0.00 C ATOM 1209 C ALA A 78 5.085 -8.258 7.439 1.00 0.00 C ATOM 1210 O ALA A 78 4.446 -8.369 6.394 1.00 0.00 O ATOM 1211 CB ALA A 78 6.420 -6.288 8.220 1.00 0.00 C ATOM 0 H ALA A 78 6.659 -6.435 5.716 1.00 0.00 H new ATOM 0 HA ALA A 78 7.174 -8.286 7.923 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.090 -6.479 9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.413 -5.840 8.237 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.722 -5.605 7.735 1.00 0.00 H new ATOM 1217 N GLN A 79 4.629 -8.688 8.615 1.00 0.00 N ATOM 1218 CA GLN A 79 3.317 -9.330 8.750 1.00 0.00 C ATOM 1219 C GLN A 79 2.512 -8.643 9.847 1.00 0.00 C ATOM 1220 O GLN A 79 1.789 -9.293 10.599 1.00 0.00 O ATOM 1221 CB GLN A 79 3.510 -10.802 9.113 1.00 0.00 C ATOM 1222 CG GLN A 79 4.165 -11.529 7.941 1.00 0.00 C ATOM 1223 CD GLN A 79 4.451 -12.980 8.315 1.00 0.00 C ATOM 1224 OE1 GLN A 79 4.766 -13.794 7.446 1.00 0.00 O ATOM 1225 NE2 GLN A 79 4.357 -13.356 9.561 1.00 0.00 N ATOM 0 H GLN A 79 5.147 -8.604 9.490 1.00 0.00 H new ATOM 0 HA GLN A 79 2.779 -9.248 7.805 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.132 -10.890 10.004 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.549 -11.259 9.348 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.511 -11.492 7.070 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.092 -11.027 7.665 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.096 -12.680 10.279 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.545 -14.325 9.817 1.00 0.00 H new ATOM 1234 N LEU A 80 2.670 -7.331 9.946 1.00 0.00 N ATOM 1235 CA LEU A 80 1.984 -6.559 10.981 1.00 0.00 C ATOM 1236 C LEU A 80 0.463 -6.613 10.804 1.00 0.00 C ATOM 1237 O LEU A 80 -0.280 -6.412 11.765 1.00 0.00 O ATOM 1238 CB LEU A 80 2.418 -5.086 10.932 1.00 0.00 C ATOM 1239 CG LEU A 80 3.936 -4.962 10.772 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.304 -3.480 10.751 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.657 -5.636 11.933 1.00 0.00 C ATOM 0 H LEU A 80 3.263 -6.778 9.327 1.00 0.00 H new ATOM 0 HA LEU A 80 2.254 -7.002 11.939 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.920 -4.585 10.102 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.103 -4.581 11.845 1.00 0.00 H new ATOM 0 HG LEU A 80 4.237 -5.449 9.844 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.383 -3.375 10.638 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.802 -2.992 9.916 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.990 -3.014 11.685 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.734 -5.536 11.800 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.362 -5.162 12.869 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.391 -6.693 11.962 1.00 0.00 H new ATOM 1253 N LEU A 81 -0.003 -6.857 9.573 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.460 -6.896 9.291 1.00 0.00 C ATOM 1255 C LEU A 81 -1.929 -8.286 8.862 1.00 0.00 C ATOM 1256 O LEU A 81 -1.243 -8.991 8.125 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.820 -5.899 8.167 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.907 -4.675 8.230 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.207 -3.749 7.050 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.162 -3.921 9.528 1.00 0.00 C ATOM 0 H LEU A 81 0.590 -7.029 8.761 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.962 -6.626 10.220 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.722 -6.384 7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.861 -5.590 8.265 1.00 0.00 H new ATOM 0 HG LEU A 81 0.133 -4.999 8.187 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.555 -2.877 7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.033 -4.282 6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.247 -3.427 7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.512 -3.047 9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.203 -3.601 9.564 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.954 -4.574 10.375 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.132 -8.645 9.316 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.741 -9.929 8.977 1.00 0.00 C ATOM 1274 C GLU A 82 -4.969 -9.715 8.097 1.00 0.00 C ATOM 1275 O GLU A 82 -5.818 -8.874 8.388 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.142 -10.660 10.254 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.875 -11.063 11.011 1.00 0.00 C ATOM 1278 CD GLU A 82 -3.243 -11.719 12.336 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.425 -11.796 12.629 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.338 -12.135 13.041 1.00 0.00 O ATOM 0 H GLU A 82 -3.705 -8.059 9.923 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.016 -10.530 8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.765 -10.018 10.876 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.734 -11.543 10.013 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.285 -11.752 10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.255 -10.185 11.191 1.00 0.00 H new ATOM 1287 N VAL A 83 -5.043 -10.482 7.020 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.147 -10.387 6.076 1.00 0.00 C ATOM 1289 C VAL A 83 -7.497 -10.365 6.790 1.00 0.00 C ATOM 1290 O VAL A 83 -8.325 -9.482 6.556 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.077 -11.609 5.152 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.312 -11.653 4.231 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.774 -11.560 4.332 1.00 0.00 C ATOM 0 H VAL A 83 -4.344 -11.184 6.776 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.059 -9.458 5.513 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.076 -12.519 5.752 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.250 -12.525 3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.216 -11.716 4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.345 -10.749 3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.724 -12.429 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.756 -10.650 3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.919 -11.567 5.007 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.719 -11.355 7.636 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.981 -11.466 8.353 1.00 0.00 C ATOM 1305 C ASP A 84 -9.294 -10.188 9.124 1.00 0.00 C ATOM 1306 O ASP A 84 -10.414 -9.686 9.073 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.909 -12.644 9.327 1.00 0.00 C ATOM 1308 CG ASP A 84 -8.952 -13.957 8.555 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -9.276 -13.921 7.379 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -8.656 -14.979 9.150 1.00 0.00 O ATOM 0 H ASP A 84 -7.046 -12.092 7.844 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.776 -11.628 7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.992 -12.587 9.914 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.741 -12.598 10.030 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.305 -9.666 9.834 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.503 -8.455 10.613 1.00 0.00 C ATOM 1317 C ASP A 85 -8.905 -7.306 9.702 1.00 0.00 C ATOM 1318 O ASP A 85 -9.834 -6.557 10.002 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.209 -8.098 11.344 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.959 -9.086 12.477 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -7.278 -10.250 12.304 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -6.444 -8.665 13.500 1.00 0.00 O ATOM 0 H ASP A 85 -7.365 -10.059 9.886 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.297 -8.628 11.339 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.372 -8.113 10.646 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.274 -7.085 11.742 1.00 0.00 H new ATOM 1327 N MET A 86 -8.212 -7.187 8.581 1.00 0.00 N ATOM 1328 CA MET A 86 -8.521 -6.136 7.625 1.00 0.00 C ATOM 1329 C MET A 86 -9.938 -6.305 7.104 1.00 0.00 C ATOM 1330 O MET A 86 -10.706 -5.348 7.009 1.00 0.00 O ATOM 1331 CB MET A 86 -7.547 -6.216 6.445 1.00 0.00 C ATOM 1332 CG MET A 86 -6.100 -5.986 6.920 1.00 0.00 C ATOM 1333 SD MET A 86 -5.178 -5.113 5.633 1.00 0.00 S ATOM 1334 CE MET A 86 -5.688 -3.438 6.095 1.00 0.00 C ATOM 0 H MET A 86 -7.440 -7.798 8.312 1.00 0.00 H new ATOM 0 HA MET A 86 -8.429 -5.170 8.122 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.627 -7.192 5.966 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.813 -5.470 5.696 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.096 -5.406 7.843 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.622 -6.940 7.142 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.724 -2.810 5.205 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.675 -3.472 6.556 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.972 -3.022 6.803 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.268 -7.542 6.785 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.585 -7.877 6.278 1.00 0.00 C ATOM 1346 C VAL A 87 -12.660 -7.631 7.329 1.00 0.00 C ATOM 1347 O VAL A 87 -13.717 -7.073 7.030 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.597 -9.349 5.857 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -13.022 -9.774 5.476 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.657 -9.539 4.658 1.00 0.00 C ATOM 0 H VAL A 87 -9.636 -8.338 6.869 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.803 -7.239 5.421 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.257 -9.967 6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -13.022 -10.822 5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.683 -9.641 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.375 -9.161 4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.662 -10.586 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.996 -8.919 3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.645 -9.248 4.939 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.391 -8.054 8.559 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.347 -7.890 9.646 1.00 0.00 C ATOM 1362 C ARG A 88 -13.479 -6.433 10.067 1.00 0.00 C ATOM 1363 O ARG A 88 -14.586 -5.921 10.227 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.874 -8.720 10.842 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.044 -10.206 10.525 1.00 0.00 C ATOM 1366 CD ARG A 88 -12.445 -11.050 11.653 1.00 0.00 C ATOM 1367 NE ARG A 88 -13.195 -10.842 12.884 1.00 0.00 N ATOM 1368 CZ ARG A 88 -12.756 -11.314 14.045 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -11.499 -11.179 14.373 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -13.580 -11.914 14.859 1.00 0.00 N ATOM 0 H ARG A 88 -11.520 -8.512 8.827 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.324 -8.226 9.299 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.829 -8.500 11.061 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.448 -8.458 11.731 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.101 -10.443 10.404 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.554 -10.444 9.581 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.465 -12.105 11.379 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.400 -10.780 11.804 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.073 -10.324 12.854 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.853 -10.711 13.737 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.163 -11.542 15.265 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.562 -12.021 14.604 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.243 -12.276 15.751 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.347 -5.770 10.250 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.361 -4.378 10.661 1.00 0.00 C ATOM 1386 C LEU A 89 -12.949 -3.500 9.562 1.00 0.00 C ATOM 1387 O LEU A 89 -13.812 -2.658 9.815 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.928 -3.917 10.963 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.391 -4.614 12.228 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.878 -4.379 12.336 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -11.080 -4.050 13.486 1.00 0.00 C ATOM 0 H LEU A 89 -11.417 -6.170 10.122 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.978 -4.286 11.555 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.281 -4.142 10.115 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.909 -2.836 11.101 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.600 -5.681 12.156 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.496 -4.871 13.230 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.382 -4.789 11.456 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.680 -3.309 12.398 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.690 -4.553 14.371 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.883 -2.980 13.560 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.155 -4.217 13.418 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.432 -3.675 8.355 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.862 -2.859 7.231 1.00 0.00 C ATOM 1405 C ALA A 90 -12.561 -1.407 7.583 1.00 0.00 C ATOM 1406 O ALA A 90 -13.218 -0.479 7.116 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.360 -3.045 6.960 1.00 0.00 C ATOM 0 H ALA A 90 -11.720 -4.369 8.130 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.333 -3.155 6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.657 -2.424 6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.561 -4.091 6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.929 -2.752 7.843 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.531 -1.259 8.417 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.060 0.040 8.892 1.00 0.00 C ATOM 1415 C VAL A 91 -9.656 -0.110 9.493 1.00 0.00 C ATOM 1416 O VAL A 91 -9.522 -0.338 10.693 1.00 0.00 O ATOM 1417 CB VAL A 91 -12.017 0.582 9.978 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.390 1.813 10.663 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.362 0.981 9.350 1.00 0.00 C ATOM 0 H VAL A 91 -10.996 -2.046 8.785 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.031 0.734 8.052 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.184 -0.202 10.717 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.070 2.190 11.427 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.445 1.530 11.126 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.212 2.591 9.921 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.027 1.361 10.125 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.198 1.755 8.601 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.816 0.110 8.878 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.612 0.016 8.708 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.220 -0.105 9.223 1.00 0.00 C ATOM 1431 C PRO A 92 -6.829 1.107 10.062 1.00 0.00 C ATOM 1432 O PRO A 92 -7.647 1.992 10.313 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.334 -0.239 7.962 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.266 -0.213 6.778 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.632 0.283 7.266 1.00 0.00 C ATOM 0 HA PRO A 92 -7.105 -0.962 9.886 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.613 0.577 7.906 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.763 -1.167 7.986 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.877 0.444 6.000 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.355 -1.207 6.340 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.769 1.344 7.058 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.448 -0.246 6.773 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.568 1.141 10.479 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.056 2.251 11.279 1.00 0.00 C ATOM 1445 C ASP A 93 -3.884 2.919 10.571 1.00 0.00 C ATOM 1446 O ASP A 93 -2.959 2.251 10.107 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.635 1.743 12.659 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.872 1.336 13.457 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.959 1.730 13.066 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.715 0.637 14.443 1.00 0.00 O ATOM 0 H ASP A 93 -4.881 0.414 10.277 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.844 2.993 11.404 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.962 0.892 12.554 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.086 2.520 13.191 1.00 0.00 H new ATOM 1455 N SER A 94 -3.949 4.242 10.473 1.00 0.00 N ATOM 1456 CA SER A 94 -2.910 5.011 9.798 1.00 0.00 C ATOM 1457 C SER A 94 -1.530 4.603 10.285 1.00 0.00 C ATOM 1458 O SER A 94 -0.559 4.625 9.529 1.00 0.00 O ATOM 1459 CB SER A 94 -3.122 6.501 10.052 1.00 0.00 C ATOM 1460 OG SER A 94 -3.078 6.746 11.451 1.00 0.00 O ATOM 0 H SER A 94 -4.710 4.805 10.853 1.00 0.00 H new ATOM 0 HA SER A 94 -2.974 4.808 8.729 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.352 7.082 9.544 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.082 6.819 9.645 1.00 0.00 H new ATOM 0 HG SER A 94 -3.212 7.702 11.620 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.453 4.210 11.541 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.194 3.774 12.111 1.00 0.00 C ATOM 1468 C LYS A 95 0.183 2.404 11.578 1.00 0.00 C ATOM 1469 O LYS A 95 1.353 2.115 11.350 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.301 3.712 13.634 1.00 0.00 C ATOM 1471 CG LYS A 95 1.105 3.715 14.262 1.00 0.00 C ATOM 1472 CD LYS A 95 1.604 5.160 14.407 1.00 0.00 C ATOM 1473 CE LYS A 95 2.949 5.175 15.130 1.00 0.00 C ATOM 1474 NZ LYS A 95 3.989 4.569 14.253 1.00 0.00 N ATOM 0 H LYS A 95 -2.244 4.184 12.184 1.00 0.00 H new ATOM 0 HA LYS A 95 0.577 4.491 11.829 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.874 4.563 14.001 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.840 2.813 13.933 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.079 3.229 15.238 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.793 3.143 13.639 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.705 5.620 13.424 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.876 5.751 14.962 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.225 6.198 15.387 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.878 4.620 16.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.932 4.773 14.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.848 3.540 14.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.914 4.971 13.297 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.820 1.552 11.393 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.573 0.205 10.902 1.00 0.00 C ATOM 1490 C CYS A 96 -0.064 0.238 9.466 1.00 0.00 C ATOM 1491 O CYS A 96 0.969 -0.351 9.146 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.868 -0.622 10.970 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.008 -1.411 12.594 1.00 0.00 S ATOM 0 H CYS A 96 -1.800 1.768 11.574 1.00 0.00 H new ATOM 0 HA CYS A 96 0.188 -0.255 11.532 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.730 0.021 10.792 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.868 -1.380 10.186 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.105 -2.106 12.646 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.804 0.932 8.611 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.431 1.050 7.213 1.00 0.00 C ATOM 1501 C VAL A 97 0.912 1.741 7.121 1.00 0.00 C ATOM 1502 O VAL A 97 1.790 1.334 6.360 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.469 1.880 6.460 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -1.007 2.101 5.019 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.816 1.155 6.468 1.00 0.00 C ATOM 0 H VAL A 97 -1.664 1.420 8.863 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.378 0.055 6.770 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.581 2.846 6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.750 2.693 4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.054 2.630 5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.887 1.138 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.553 1.751 5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.710 0.185 5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.146 1.012 7.497 1.00 0.00 H new ATOM 1515 N TYR A 98 1.060 2.799 7.904 1.00 0.00 N ATOM 1516 CA TYR A 98 2.291 3.557 7.908 1.00 0.00 C ATOM 1517 C TYR A 98 3.454 2.663 8.295 1.00 0.00 C ATOM 1518 O TYR A 98 4.471 2.613 7.602 1.00 0.00 O ATOM 1519 CB TYR A 98 2.172 4.701 8.921 1.00 0.00 C ATOM 1520 CG TYR A 98 3.508 5.392 9.070 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.497 4.826 9.884 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.759 6.587 8.392 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.739 5.457 10.016 1.00 0.00 C ATOM 1524 CE2 TYR A 98 5.000 7.220 8.527 1.00 0.00 C ATOM 1525 CZ TYR A 98 5.991 6.653 9.338 1.00 0.00 C ATOM 1526 OH TYR A 98 7.216 7.271 9.465 1.00 0.00 O ATOM 0 H TYR A 98 0.343 3.147 8.541 1.00 0.00 H new ATOM 0 HA TYR A 98 2.469 3.958 6.910 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.418 5.415 8.591 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.843 4.313 9.885 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.301 3.903 10.410 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.996 7.022 7.764 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.503 5.020 10.642 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.193 8.146 8.006 1.00 0.00 H new ATOM 0 HH TYR A 98 7.226 8.091 8.928 1.00 0.00 H new ATOM 1536 N THR A 99 3.301 1.963 9.408 1.00 0.00 N ATOM 1537 CA THR A 99 4.353 1.085 9.880 1.00 0.00 C ATOM 1538 C THR A 99 4.684 0.044 8.822 1.00 0.00 C ATOM 1539 O THR A 99 5.854 -0.229 8.551 1.00 0.00 O ATOM 1540 CB THR A 99 3.922 0.384 11.172 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.412 1.343 12.088 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.124 -0.323 11.799 1.00 0.00 C ATOM 0 H THR A 99 2.467 1.987 9.994 1.00 0.00 H new ATOM 0 HA THR A 99 5.239 1.687 10.080 1.00 0.00 H new ATOM 0 HB THR A 99 3.148 -0.348 10.941 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.439 1.408 11.986 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.815 -0.821 12.718 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.517 -1.062 11.100 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.899 0.409 12.026 1.00 0.00 H new ATOM 1550 N TYR A 100 3.652 -0.529 8.214 1.00 0.00 N ATOM 1551 CA TYR A 100 3.845 -1.531 7.179 1.00 0.00 C ATOM 1552 C TYR A 100 4.593 -0.932 5.995 1.00 0.00 C ATOM 1553 O TYR A 100 5.589 -1.478 5.522 1.00 0.00 O ATOM 1554 CB TYR A 100 2.477 -1.997 6.698 1.00 0.00 C ATOM 1555 CG TYR A 100 2.648 -3.176 5.779 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.958 -2.970 4.433 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.492 -4.472 6.274 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.113 -4.067 3.576 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.646 -5.570 5.421 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.955 -5.368 4.071 1.00 0.00 C ATOM 1561 OH TYR A 100 3.108 -6.450 3.228 1.00 0.00 O ATOM 0 H TYR A 100 2.676 -0.316 8.421 1.00 0.00 H new ATOM 0 HA TYR A 100 4.422 -2.361 7.586 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.854 -2.272 7.549 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.966 -1.187 6.178 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.078 -1.966 4.053 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.252 -4.627 7.316 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.354 -3.910 2.535 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.527 -6.573 5.804 1.00 0.00 H new ATOM 0 HH TYR A 100 3.205 -7.268 3.759 1.00 0.00 H new ATOM 1571 N ILE A 101 4.088 0.206 5.533 1.00 0.00 N ATOM 1572 CA ILE A 101 4.682 0.912 4.409 1.00 0.00 C ATOM 1573 C ILE A 101 6.118 1.283 4.757 1.00 0.00 C ATOM 1574 O ILE A 101 7.016 1.201 3.921 1.00 0.00 O ATOM 1575 CB ILE A 101 3.865 2.185 4.103 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.471 1.806 3.545 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.612 3.069 3.093 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.526 1.494 2.036 1.00 0.00 C ATOM 0 H ILE A 101 3.263 0.660 5.924 1.00 0.00 H new ATOM 0 HA ILE A 101 4.677 0.272 3.527 1.00 0.00 H new ATOM 0 HB ILE A 101 3.734 2.744 5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.088 0.938 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.773 2.625 3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.024 3.963 2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.578 3.358 3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.765 2.514 2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.529 1.232 1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.885 2.370 1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.204 0.658 1.862 1.00 0.00 H new ATOM 1590 N GLN A 102 6.312 1.695 6.004 1.00 0.00 N ATOM 1591 CA GLN A 102 7.630 2.082 6.487 1.00 0.00 C ATOM 1592 C GLN A 102 8.660 1.019 6.159 1.00 0.00 C ATOM 1593 O GLN A 102 9.611 1.265 5.425 1.00 0.00 O ATOM 1594 CB GLN A 102 7.594 2.266 8.003 1.00 0.00 C ATOM 1595 CG GLN A 102 8.841 3.027 8.454 1.00 0.00 C ATOM 1596 CD GLN A 102 8.829 3.203 9.970 1.00 0.00 C ATOM 1597 OE1 GLN A 102 7.789 3.033 10.608 1.00 0.00 O ATOM 1598 NE2 GLN A 102 9.930 3.536 10.588 1.00 0.00 N ATOM 0 H GLN A 102 5.570 1.769 6.700 1.00 0.00 H new ATOM 0 HA GLN A 102 7.905 3.016 5.997 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.697 2.813 8.292 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.549 1.295 8.497 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.737 2.485 8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.877 4.002 7.967 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.790 3.676 10.058 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.930 3.656 11.601 1.00 0.00 H new ATOM 1607 N GLU A 103 8.472 -0.160 6.733 1.00 0.00 N ATOM 1608 CA GLU A 103 9.411 -1.249 6.513 1.00 0.00 C ATOM 1609 C GLU A 103 9.554 -1.515 5.019 1.00 0.00 C ATOM 1610 O GLU A 103 10.653 -1.717 4.502 1.00 0.00 O ATOM 1611 CB GLU A 103 8.919 -2.510 7.233 1.00 0.00 C ATOM 1612 CG GLU A 103 9.320 -2.455 8.712 1.00 0.00 C ATOM 1613 CD GLU A 103 8.589 -1.314 9.407 1.00 0.00 C ATOM 1614 OE1 GLU A 103 7.430 -1.493 9.735 1.00 0.00 O ATOM 1615 OE2 GLU A 103 9.202 -0.277 9.607 1.00 0.00 O ATOM 0 H GLU A 103 7.689 -0.385 7.346 1.00 0.00 H new ATOM 0 HA GLU A 103 10.386 -0.972 6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.836 -2.591 7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.345 -3.397 6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.080 -3.401 9.198 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.397 -2.315 8.800 1.00 0.00 H new ATOM 1622 N LEU A 104 8.432 -1.534 4.335 1.00 0.00 N ATOM 1623 CA LEU A 104 8.415 -1.782 2.907 1.00 0.00 C ATOM 1624 C LEU A 104 9.141 -0.684 2.153 1.00 0.00 C ATOM 1625 O LEU A 104 9.870 -0.944 1.198 1.00 0.00 O ATOM 1626 CB LEU A 104 6.963 -1.800 2.451 1.00 0.00 C ATOM 1627 CG LEU A 104 6.846 -2.153 0.958 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.452 -3.538 0.679 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.362 -2.157 0.565 1.00 0.00 C ATOM 0 H LEU A 104 7.512 -1.380 4.747 1.00 0.00 H new ATOM 0 HA LEU A 104 8.913 -2.730 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.404 -2.525 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.511 -0.825 2.632 1.00 0.00 H new ATOM 0 HG LEU A 104 7.391 -1.413 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.359 -3.769 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.505 -3.537 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.922 -4.291 1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.266 -2.406 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.830 -2.897 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.935 -1.170 0.745 1.00 0.00 H new ATOM 1641 N TYR A 105 8.906 0.546 2.567 1.00 0.00 N ATOM 1642 CA TYR A 105 9.503 1.693 1.902 1.00 0.00 C ATOM 1643 C TYR A 105 11.007 1.572 1.852 1.00 0.00 C ATOM 1644 O TYR A 105 11.629 1.703 0.794 1.00 0.00 O ATOM 1645 CB TYR A 105 9.146 2.956 2.695 1.00 0.00 C ATOM 1646 CG TYR A 105 9.835 4.161 2.099 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.283 4.801 0.987 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.026 4.632 2.665 1.00 0.00 C ATOM 1649 CE1 TYR A 105 9.921 5.916 0.435 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.664 5.750 2.113 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.111 6.392 0.998 1.00 0.00 C ATOM 1652 OH TYR A 105 11.739 7.492 0.453 1.00 0.00 O ATOM 0 H TYR A 105 8.307 0.779 3.359 1.00 0.00 H new ATOM 0 HA TYR A 105 9.121 1.742 0.882 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.066 3.105 2.688 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.444 2.836 3.737 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.364 4.435 0.554 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.451 4.135 3.524 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.496 6.410 -0.426 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.582 6.117 2.547 1.00 0.00 H new ATOM 0 HH TYR A 105 12.551 7.691 0.964 1.00 0.00 H new ATOM 1662 N ARG A 106 11.569 1.351 3.012 1.00 0.00 N ATOM 1663 CA ARG A 106 13.009 1.246 3.139 1.00 0.00 C ATOM 1664 C ARG A 106 13.547 0.053 2.361 1.00 0.00 C ATOM 1665 O ARG A 106 14.653 0.105 1.829 1.00 0.00 O ATOM 1666 CB ARG A 106 13.373 1.155 4.613 1.00 0.00 C ATOM 1667 CG ARG A 106 12.651 -0.035 5.223 1.00 0.00 C ATOM 1668 CD ARG A 106 13.131 -0.274 6.646 1.00 0.00 C ATOM 1669 NE ARG A 106 14.572 -0.475 6.647 1.00 0.00 N ATOM 1670 CZ ARG A 106 15.101 -1.661 6.373 1.00 0.00 C ATOM 1671 NH1 ARG A 106 14.990 -2.636 7.232 1.00 0.00 N ATOM 1672 NH2 ARG A 106 15.725 -1.851 5.243 1.00 0.00 N ATOM 0 H ARG A 106 11.055 1.239 3.886 1.00 0.00 H new ATOM 0 HA ARG A 106 13.472 2.136 2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 106 14.451 1.043 4.729 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.091 2.073 5.129 1.00 0.00 H new ATOM 0 HG2 ARG A 106 11.576 0.144 5.220 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.828 -0.925 4.619 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.872 0.577 7.276 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.632 -1.146 7.067 1.00 0.00 H new ATOM 0 HE ARG A 106 15.187 0.310 6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.497 -2.486 8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.396 -3.548 7.023 1.00 0.00 H new ATOM 0 HH21 ARG A 106 15.806 -1.088 4.571 1.00 0.00 H new ATOM 0 HH22 ARG A 106 16.132 -2.762 5.032 1.00 0.00 H new ATOM 1686 N SER A 107 12.769 -1.019 2.294 1.00 0.00 N ATOM 1687 CA SER A 107 13.205 -2.195 1.554 1.00 0.00 C ATOM 1688 C SER A 107 13.406 -1.829 0.081 1.00 0.00 C ATOM 1689 O SER A 107 14.321 -2.317 -0.578 1.00 0.00 O ATOM 1690 CB SER A 107 12.176 -3.321 1.677 1.00 0.00 C ATOM 1691 OG SER A 107 11.907 -3.566 3.050 1.00 0.00 O ATOM 0 H SER A 107 11.852 -1.099 2.733 1.00 0.00 H new ATOM 0 HA SER A 107 14.149 -2.544 1.973 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.257 -3.047 1.158 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.553 -4.227 1.202 1.00 0.00 H new ATOM 0 HG SER A 107 11.202 -2.959 3.359 1.00 0.00 H new ATOM 1697 N LEU A 108 12.531 -0.965 -0.435 1.00 0.00 N ATOM 1698 CA LEU A 108 12.621 -0.533 -1.828 1.00 0.00 C ATOM 1699 C LEU A 108 13.833 0.365 -2.042 1.00 0.00 C ATOM 1700 O LEU A 108 14.506 0.293 -3.071 1.00 0.00 O ATOM 1701 CB LEU A 108 11.378 0.265 -2.225 1.00 0.00 C ATOM 1702 CG LEU A 108 10.106 -0.563 -2.024 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.884 0.347 -2.187 1.00 0.00 C ATOM 1704 CD2 LEU A 108 10.034 -1.697 -3.048 1.00 0.00 C ATOM 0 H LEU A 108 11.757 -0.554 0.087 1.00 0.00 H new ATOM 0 HA LEU A 108 12.708 -1.432 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.321 1.176 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.456 0.571 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 108 10.121 -0.997 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.974 -0.236 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.923 1.145 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.884 0.781 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.123 -2.274 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.027 -1.279 -4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.901 -2.348 -2.932 1.00 0.00 H new ATOM 1716 N VAL A 109 14.076 1.260 -1.085 1.00 0.00 N ATOM 1717 CA VAL A 109 15.174 2.205 -1.207 1.00 0.00 C ATOM 1718 C VAL A 109 16.515 1.486 -1.229 1.00 0.00 C ATOM 1719 O VAL A 109 17.354 1.759 -2.089 1.00 0.00 O ATOM 1720 CB VAL A 109 15.122 3.202 -0.046 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.378 4.077 -0.050 1.00 0.00 C ATOM 1722 CG2 VAL A 109 13.888 4.096 -0.205 1.00 0.00 C ATOM 0 H VAL A 109 13.531 1.347 -0.227 1.00 0.00 H new ATOM 0 HA VAL A 109 15.069 2.742 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 109 15.069 2.654 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.332 4.783 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.261 3.447 0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.437 4.625 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 109 13.846 4.808 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.950 4.637 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.989 3.480 -0.198 1.00 0.00 H new ATOM 1732 N GLN A 110 16.711 0.570 -0.291 1.00 0.00 N ATOM 1733 CA GLN A 110 17.959 -0.171 -0.233 1.00 0.00 C ATOM 1734 C GLN A 110 18.113 -0.999 -1.495 1.00 0.00 C ATOM 1735 O GLN A 110 19.205 -1.090 -2.062 1.00 0.00 O ATOM 1736 CB GLN A 110 17.993 -1.084 0.999 1.00 0.00 C ATOM 1737 CG GLN A 110 16.842 -2.098 0.948 1.00 0.00 C ATOM 1738 CD GLN A 110 16.778 -2.924 2.232 1.00 0.00 C ATOM 1739 OE1 GLN A 110 17.352 -2.538 3.248 1.00 0.00 O ATOM 1740 NE2 GLN A 110 16.104 -4.047 2.246 1.00 0.00 N ATOM 0 H GLN A 110 16.032 0.326 0.430 1.00 0.00 H new ATOM 0 HA GLN A 110 18.784 0.537 -0.156 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.947 -1.610 1.043 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.917 -0.484 1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.898 -1.574 0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.974 -2.760 0.092 1.00 0.00 H new ATOM 0 HE21 GLN A 110 15.628 -4.367 1.402 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.055 -4.602 3.100 1.00 0.00 H new ATOM 1749 N LYS A 111 17.009 -1.592 -1.928 1.00 0.00 N ATOM 1750 CA LYS A 111 17.013 -2.409 -3.128 1.00 0.00 C ATOM 1751 C LYS A 111 17.382 -1.560 -4.344 1.00 0.00 C ATOM 1752 O LYS A 111 17.938 -2.065 -5.318 1.00 0.00 O ATOM 1753 CB LYS A 111 15.635 -3.065 -3.336 1.00 0.00 C ATOM 1754 CG LYS A 111 15.489 -4.308 -2.436 1.00 0.00 C ATOM 1755 CD LYS A 111 14.072 -4.893 -2.576 1.00 0.00 C ATOM 1756 CE LYS A 111 13.986 -5.760 -3.841 1.00 0.00 C ATOM 1757 NZ LYS A 111 12.613 -6.322 -3.973 1.00 0.00 N ATOM 0 H LYS A 111 16.102 -1.521 -1.466 1.00 0.00 H new ATOM 0 HA LYS A 111 17.758 -3.196 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.846 -2.348 -3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.515 -3.349 -4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 111 16.230 -5.058 -2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.680 -4.040 -1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.828 -5.491 -1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.340 -4.087 -2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.231 -5.163 -4.720 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.716 -6.567 -3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 12.559 -6.908 -4.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 12.395 -6.906 -3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 11.925 -5.545 -4.041 1.00 0.00 H new ATOM 1771 N GLY A 112 17.048 -0.270 -4.288 1.00 0.00 N ATOM 1772 CA GLY A 112 17.332 0.639 -5.401 1.00 0.00 C ATOM 1773 C GLY A 112 16.124 0.726 -6.318 1.00 0.00 C ATOM 1774 O GLY A 112 16.205 1.215 -7.446 1.00 0.00 O ATOM 0 H GLY A 112 16.584 0.167 -3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.582 1.629 -5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.199 0.285 -5.959 1.00 0.00 H new ATOM 1778 N LEU A 113 15.004 0.251 -5.795 1.00 0.00 N ATOM 1779 CA LEU A 113 13.740 0.265 -6.512 1.00 0.00 C ATOM 1780 C LEU A 113 13.158 1.676 -6.572 1.00 0.00 C ATOM 1781 O LEU A 113 12.703 2.128 -7.624 1.00 0.00 O ATOM 1782 CB LEU A 113 12.762 -0.677 -5.791 1.00 0.00 C ATOM 1783 CG LEU A 113 12.971 -2.129 -6.248 1.00 0.00 C ATOM 1784 CD1 LEU A 113 12.142 -3.056 -5.357 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.531 -2.297 -7.721 1.00 0.00 C ATOM 0 H LEU A 113 14.947 -0.155 -4.861 1.00 0.00 H new ATOM 0 HA LEU A 113 13.904 -0.069 -7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.908 -0.605 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.736 -0.370 -5.995 1.00 0.00 H new ATOM 0 HG LEU A 113 14.028 -2.382 -6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.284 -4.089 -5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.463 -2.947 -4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.087 -2.793 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.685 -3.331 -8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.475 -2.043 -7.817 1.00 0.00 H new ATOM 0 HD23 LEU A 113 13.122 -1.636 -8.355 1.00 0.00 H new ATOM 1797 N VAL A 114 13.159 2.361 -5.430 1.00 0.00 N ATOM 1798 CA VAL A 114 12.611 3.719 -5.355 1.00 0.00 C ATOM 1799 C VAL A 114 13.656 4.759 -5.759 1.00 0.00 C ATOM 1800 O VAL A 114 13.330 5.757 -6.405 1.00 0.00 O ATOM 1801 CB VAL A 114 12.064 3.976 -3.930 1.00 0.00 C ATOM 1802 CG1 VAL A 114 11.961 5.483 -3.644 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.664 3.343 -3.789 1.00 0.00 C ATOM 0 H VAL A 114 13.529 2.004 -4.549 1.00 0.00 H new ATOM 0 HA VAL A 114 11.788 3.812 -6.063 1.00 0.00 H new ATOM 0 HB VAL A 114 12.754 3.527 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.574 5.637 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 114 12.948 5.937 -3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.287 5.945 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.282 3.526 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.989 3.787 -4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.731 2.269 -3.962 1.00 0.00 H new