USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 829 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 GLN : amide:sc= -1.06 K(o=-0.26,f=-2.6) USER MOD Set 1.2: A 104 HIS : no HE2:sc= 0.796 K(o=-0.26,f=-7.5!) USER MOD Set 2.1: A 91 THR OG1 : rot -142:sc= 1.2 USER MOD Set 2.2: A 93 GLN : amide:sc= -0.0153 X(o=1.2,f=1.2) USER MOD Set 3.1: A 52 SER OG : rot -107:sc= 1.32 USER MOD Set 3.2: A 61 HIS : no HD1:sc= 0.83 K(o=2.1,f=-3.2!) USER MOD Set 4.1: A 19 TYR OH : rot 27:sc= 0.125 USER MOD Set 4.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0527 X(o=-0.053,f=-0.053) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc=-0.000311 (180deg=-0.0303) USER MOD Single : A 14 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-2.3!) USER MOD Single : A 16 GLN : amide:sc= 0.691 K(o=0.69,f=-1.5) USER MOD Single : A 20 HIS : no HE2:sc= -0.228 X(o=-0.23,f=-0.62) USER MOD Single : A 34 HIS : no HD1:sc= -0.0319 X(o=-0.032,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 65 GLN : amide:sc= -0.558! C(o=-0.56!,f=-4.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.505 K(o=-0.5,f=-2!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= 0.203 K(o=0.2,f=-2.2!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -34:sc= -0.0672 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -0.513 10.474 -8.396 1.00 0.00 N ATOM 67 CA GLU A 8 -0.891 10.886 -7.054 1.00 0.00 C ATOM 68 C GLU A 8 0.317 10.835 -6.104 1.00 0.00 C ATOM 69 O GLU A 8 0.161 10.703 -4.892 1.00 0.00 O ATOM 70 CB GLU A 8 -2.063 10.015 -6.553 1.00 0.00 C ATOM 71 CG GLU A 8 -3.438 10.383 -7.140 1.00 0.00 C ATOM 72 CD GLU A 8 -3.938 9.626 -8.377 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.182 8.855 -9.005 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.105 9.886 -8.766 1.00 0.00 O ATOM 0 HA GLU A 8 -1.228 11.922 -7.077 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.850 8.973 -6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.115 10.091 -5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.179 10.254 -6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.418 11.444 -7.388 1.00 0.00 H new ATOM 81 N VAL A 9 1.537 10.876 -6.628 1.00 0.00 N ATOM 82 CA VAL A 9 2.761 10.637 -5.893 1.00 0.00 C ATOM 83 C VAL A 9 2.919 11.724 -4.843 1.00 0.00 C ATOM 84 O VAL A 9 3.029 11.429 -3.661 1.00 0.00 O ATOM 85 CB VAL A 9 3.966 10.601 -6.857 1.00 0.00 C ATOM 86 CG1 VAL A 9 5.174 9.982 -6.146 1.00 0.00 C ATOM 87 CG2 VAL A 9 3.631 9.869 -8.166 1.00 0.00 C ATOM 0 H VAL A 9 1.700 11.085 -7.613 1.00 0.00 H new ATOM 0 HA VAL A 9 2.717 9.669 -5.394 1.00 0.00 H new ATOM 0 HB VAL A 9 4.217 11.623 -7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.024 9.957 -6.828 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.428 10.581 -5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.931 8.967 -5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.506 9.867 -8.816 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.341 8.842 -7.945 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.808 10.379 -8.668 1.00 0.00 H new ATOM 97 N GLN A 10 2.955 12.981 -5.285 1.00 0.00 N ATOM 98 CA GLN A 10 3.312 14.105 -4.431 1.00 0.00 C ATOM 99 C GLN A 10 2.162 14.513 -3.512 1.00 0.00 C ATOM 100 O GLN A 10 2.357 15.335 -2.612 1.00 0.00 O ATOM 101 CB GLN A 10 3.710 15.296 -5.313 1.00 0.00 C ATOM 102 CG GLN A 10 4.901 14.967 -6.219 1.00 0.00 C ATOM 103 CD GLN A 10 6.171 14.665 -5.428 1.00 0.00 C ATOM 104 OE1 GLN A 10 6.620 15.492 -4.643 1.00 0.00 O ATOM 105 NE2 GLN A 10 6.789 13.517 -5.630 1.00 0.00 N ATOM 0 H GLN A 10 2.737 13.245 -6.246 1.00 0.00 H new ATOM 0 HA GLN A 10 4.146 13.799 -3.799 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.859 15.593 -5.926 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.960 16.148 -4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.653 14.108 -6.843 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.086 15.806 -6.890 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.403 12.839 -6.287 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.653 13.308 -5.130 1.00 0.00 H new ATOM 114 N LYS A 11 0.956 14.020 -3.797 1.00 0.00 N ATOM 115 CA LYS A 11 -0.271 14.361 -3.094 1.00 0.00 C ATOM 116 C LYS A 11 -0.193 13.888 -1.642 1.00 0.00 C ATOM 117 O LYS A 11 0.580 12.974 -1.332 1.00 0.00 O ATOM 118 CB LYS A 11 -1.455 13.715 -3.828 1.00 0.00 C ATOM 119 CG LYS A 11 -1.577 14.212 -5.274 1.00 0.00 C ATOM 120 CD LYS A 11 -2.965 13.875 -5.831 1.00 0.00 C ATOM 121 CE LYS A 11 -3.135 14.181 -7.323 1.00 0.00 C ATOM 122 NZ LYS A 11 -2.772 15.569 -7.639 1.00 0.00 N ATOM 0 H LYS A 11 0.807 13.349 -4.551 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.409 15.442 -3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.335 12.632 -3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.378 13.934 -3.291 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.413 15.289 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.807 13.750 -5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.164 12.816 -5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.715 14.433 -5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.515 13.501 -7.907 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.169 14.000 -7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.996 15.768 -8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.309 16.216 -7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.754 15.707 -7.479 1.00 0.00 H new ATOM 136 N PRO A 12 -0.987 14.478 -0.735 1.00 0.00 N ATOM 137 CA PRO A 12 -0.975 14.043 0.647 1.00 0.00 C ATOM 138 C PRO A 12 -1.467 12.603 0.740 1.00 0.00 C ATOM 139 O PRO A 12 -2.271 12.156 -0.079 1.00 0.00 O ATOM 140 CB PRO A 12 -1.903 14.990 1.397 1.00 0.00 C ATOM 141 CG PRO A 12 -2.761 15.660 0.334 1.00 0.00 C ATOM 142 CD PRO A 12 -1.947 15.554 -0.951 1.00 0.00 C ATOM 0 HA PRO A 12 0.028 14.067 1.074 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.520 14.447 2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.334 15.728 1.963 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.725 15.162 0.233 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.964 16.700 0.588 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.591 15.336 -1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.438 16.493 -1.168 1.00 0.00 H new ATOM 150 N LEU A 13 -1.057 11.897 1.794 1.00 0.00 N ATOM 151 CA LEU A 13 -1.561 10.559 2.093 1.00 0.00 C ATOM 152 C LEU A 13 -3.078 10.569 2.266 1.00 0.00 C ATOM 153 O LEU A 13 -3.731 9.606 1.879 1.00 0.00 O ATOM 154 CB LEU A 13 -0.820 10.018 3.321 1.00 0.00 C ATOM 155 CG LEU A 13 -1.119 8.552 3.713 1.00 0.00 C ATOM 156 CD1 LEU A 13 0.066 8.019 4.523 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.336 8.382 4.630 1.00 0.00 C ATOM 0 H LEU A 13 -0.367 12.237 2.463 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.366 9.888 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.251 10.113 3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.059 10.655 4.173 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.305 8.028 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.125 6.985 4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.971 8.066 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.197 8.626 5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.476 7.325 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.174 8.933 5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.225 8.766 4.130 1.00 0.00 H new ATOM 169 N HIS A 14 -3.641 11.649 2.816 1.00 0.00 N ATOM 170 CA HIS A 14 -5.054 11.684 3.175 1.00 0.00 C ATOM 171 C HIS A 14 -5.991 11.804 1.960 1.00 0.00 C ATOM 172 O HIS A 14 -7.204 11.880 2.138 1.00 0.00 O ATOM 173 CB HIS A 14 -5.304 12.833 4.168 1.00 0.00 C ATOM 174 CG HIS A 14 -5.239 14.211 3.550 1.00 0.00 C ATOM 175 ND1 HIS A 14 -6.111 14.706 2.609 1.00 0.00 N ATOM 176 CD2 HIS A 14 -4.302 15.177 3.792 1.00 0.00 C ATOM 177 CE1 HIS A 14 -5.681 15.925 2.256 1.00 0.00 C ATOM 178 NE2 HIS A 14 -4.584 16.266 2.959 1.00 0.00 N ATOM 0 H HIS A 14 -3.135 12.510 3.021 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.290 10.728 3.641 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.285 12.697 4.624 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.568 12.772 4.970 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.489 15.111 4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.150 16.549 1.510 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -4.064 17.141 2.897 1.00 0.00 H new ATOM 186 N GLU A 15 -5.456 11.928 0.743 1.00 0.00 N ATOM 187 CA GLU A 15 -6.163 12.223 -0.483 1.00 0.00 C ATOM 188 C GLU A 15 -6.004 11.051 -1.471 1.00 0.00 C ATOM 189 O GLU A 15 -6.536 11.083 -2.590 1.00 0.00 O ATOM 190 CB GLU A 15 -5.522 13.541 -0.928 1.00 0.00 C ATOM 191 CG GLU A 15 -5.879 14.038 -2.313 1.00 0.00 C ATOM 192 CD GLU A 15 -5.475 15.507 -2.509 1.00 0.00 C ATOM 193 OE1 GLU A 15 -5.907 16.374 -1.713 1.00 0.00 O ATOM 194 OE2 GLU A 15 -4.777 15.850 -3.493 1.00 0.00 O ATOM 0 H GLU A 15 -4.454 11.816 0.589 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.244 12.334 -0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.796 14.313 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.439 13.427 -0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.382 13.421 -3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.952 13.931 -2.473 1.00 0.00 H new ATOM 201 N GLN A 16 -5.257 10.019 -1.064 1.00 0.00 N ATOM 202 CA GLN A 16 -4.921 8.844 -1.847 1.00 0.00 C ATOM 203 C GLN A 16 -6.135 7.956 -2.061 1.00 0.00 C ATOM 204 O GLN A 16 -7.204 8.117 -1.475 1.00 0.00 O ATOM 205 CB GLN A 16 -3.788 8.070 -1.154 1.00 0.00 C ATOM 206 CG GLN A 16 -2.501 8.892 -1.029 1.00 0.00 C ATOM 207 CD GLN A 16 -1.851 9.251 -2.359 1.00 0.00 C ATOM 208 OE1 GLN A 16 -2.016 8.559 -3.362 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.069 10.315 -2.393 1.00 0.00 N ATOM 0 H GLN A 16 -4.853 9.988 -0.128 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.581 9.167 -2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.117 7.764 -0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.579 7.159 -1.715 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.723 9.811 -0.487 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.784 8.333 -0.428 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.941 10.881 -1.554 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.594 10.571 -3.258 1.00 0.00 H new ATOM 218 N LEU A 17 -5.934 7.022 -2.974 1.00 0.00 N ATOM 219 CA LEU A 17 -6.921 6.126 -3.517 1.00 0.00 C ATOM 220 C LEU A 17 -6.835 4.828 -2.733 1.00 0.00 C ATOM 221 O LEU A 17 -7.765 4.509 -2.010 1.00 0.00 O ATOM 222 CB LEU A 17 -6.753 5.993 -5.041 1.00 0.00 C ATOM 223 CG LEU A 17 -5.344 5.954 -5.688 1.00 0.00 C ATOM 224 CD1 LEU A 17 -5.526 5.750 -7.195 1.00 0.00 C ATOM 225 CD2 LEU A 17 -4.473 7.215 -5.533 1.00 0.00 C ATOM 0 H LEU A 17 -5.011 6.865 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.936 6.506 -3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.267 5.080 -5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.290 6.825 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.824 5.153 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.550 5.718 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.050 4.811 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.108 6.575 -7.606 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.515 7.059 -6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.981 8.066 -5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.305 7.414 -4.474 1.00 0.00 H new ATOM 237 N TRP A 18 -5.691 4.145 -2.783 1.00 0.00 N ATOM 238 CA TRP A 18 -5.417 2.945 -1.995 1.00 0.00 C ATOM 239 C TRP A 18 -5.503 3.176 -0.484 1.00 0.00 C ATOM 240 O TRP A 18 -5.482 2.200 0.263 1.00 0.00 O ATOM 241 CB TRP A 18 -4.040 2.399 -2.398 1.00 0.00 C ATOM 242 CG TRP A 18 -2.995 3.440 -2.655 1.00 0.00 C ATOM 243 CD1 TRP A 18 -2.537 3.836 -3.864 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.275 4.238 -1.676 1.00 0.00 C ATOM 245 NE1 TRP A 18 -1.603 4.835 -3.699 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.379 5.092 -2.368 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.279 4.313 -0.271 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.502 5.940 -1.696 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.402 5.164 0.422 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.497 5.963 -0.289 1.00 0.00 C ATOM 0 H TRP A 18 -4.914 4.417 -3.385 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.194 2.212 -2.215 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.684 1.736 -1.609 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.155 1.793 -3.296 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.855 3.431 -4.813 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.138 5.321 -4.466 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.972 3.702 0.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.171 6.576 -2.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.425 5.202 1.501 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.202 6.594 0.241 1.00 0.00 H new ATOM 261 N TYR A 19 -5.508 4.417 0.007 1.00 0.00 N ATOM 262 CA TYR A 19 -5.621 4.676 1.437 1.00 0.00 C ATOM 263 C TYR A 19 -7.093 4.547 1.832 1.00 0.00 C ATOM 264 O TYR A 19 -7.871 5.454 1.550 1.00 0.00 O ATOM 265 CB TYR A 19 -5.051 6.047 1.809 1.00 0.00 C ATOM 266 CG TYR A 19 -5.101 6.316 3.303 1.00 0.00 C ATOM 267 CD1 TYR A 19 -4.532 5.397 4.212 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.747 7.471 3.785 1.00 0.00 C ATOM 269 CE1 TYR A 19 -4.613 5.627 5.596 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.821 7.716 5.166 1.00 0.00 C ATOM 271 CZ TYR A 19 -5.249 6.795 6.070 1.00 0.00 C ATOM 272 OH TYR A 19 -5.313 7.020 7.406 1.00 0.00 O ATOM 0 H TYR A 19 -5.435 5.256 -0.568 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.030 3.946 1.990 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.018 6.112 1.467 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.610 6.823 1.285 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.033 4.514 3.842 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.187 8.171 3.090 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.192 4.916 6.291 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.313 8.604 5.534 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.561 6.575 7.849 1.00 0.00 H new ATOM 282 N HIS A 20 -7.482 3.435 2.464 1.00 0.00 N ATOM 283 CA HIS A 20 -8.842 3.266 2.986 1.00 0.00 C ATOM 284 C HIS A 20 -8.971 3.758 4.439 1.00 0.00 C ATOM 285 O HIS A 20 -10.040 4.208 4.848 1.00 0.00 O ATOM 286 CB HIS A 20 -9.311 1.814 2.828 1.00 0.00 C ATOM 287 CG HIS A 20 -9.805 1.450 1.452 1.00 0.00 C ATOM 288 ND1 HIS A 20 -11.112 1.173 1.124 1.00 0.00 N ATOM 289 CD2 HIS A 20 -9.051 1.284 0.322 1.00 0.00 C ATOM 290 CE1 HIS A 20 -11.143 0.837 -0.177 1.00 0.00 C ATOM 291 NE2 HIS A 20 -9.906 0.869 -0.702 1.00 0.00 N ATOM 0 H HIS A 20 -6.871 2.635 2.627 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.503 3.895 2.390 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.486 1.151 3.088 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.109 1.626 3.546 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.913 1.215 1.754 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.986 1.445 0.237 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -12.037 0.577 -0.724 1.00 0.00 H new ATOM 299 N GLY A 21 -7.891 3.757 5.229 1.00 0.00 N ATOM 300 CA GLY A 21 -7.855 4.214 6.590 1.00 0.00 C ATOM 301 C GLY A 21 -8.016 3.005 7.485 1.00 0.00 C ATOM 302 O GLY A 21 -7.459 1.933 7.258 1.00 0.00 O ATOM 0 H GLY A 21 -6.985 3.418 4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.913 4.721 6.798 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.652 4.934 6.773 1.00 0.00 H new ATOM 306 N ALA A 22 -8.704 3.211 8.579 1.00 0.00 N ATOM 307 CA ALA A 22 -8.943 2.216 9.606 1.00 0.00 C ATOM 308 C ALA A 22 -9.947 1.168 9.115 1.00 0.00 C ATOM 309 O ALA A 22 -11.159 1.352 9.266 1.00 0.00 O ATOM 310 CB ALA A 22 -9.404 2.925 10.874 1.00 0.00 C ATOM 0 H ALA A 22 -9.133 4.112 8.792 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.025 1.675 9.834 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.588 2.189 11.656 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.631 3.620 11.204 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.323 3.475 10.670 1.00 0.00 H new ATOM 316 N ILE A 23 -9.435 0.056 8.583 1.00 0.00 N ATOM 317 CA ILE A 23 -10.188 -1.121 8.134 1.00 0.00 C ATOM 318 C ILE A 23 -9.517 -2.375 8.737 1.00 0.00 C ATOM 319 O ILE A 23 -8.292 -2.356 8.933 1.00 0.00 O ATOM 320 CB ILE A 23 -10.360 -1.164 6.576 1.00 0.00 C ATOM 321 CG1 ILE A 23 -10.086 -2.551 5.943 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.535 -0.123 5.795 1.00 0.00 C ATOM 323 CD1 ILE A 23 -10.458 -2.680 4.482 1.00 0.00 C ATOM 0 H ILE A 23 -8.430 -0.055 8.446 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.214 -1.075 8.498 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.417 -0.917 6.476 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.026 -2.779 6.052 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.634 -3.305 6.508 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.724 -0.236 4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.822 0.880 6.111 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.474 -0.276 5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.227 -3.687 4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.524 -2.490 4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.891 -1.956 3.897 1.00 0.00 H new ATOM 335 N PRO A 24 -10.274 -3.468 8.988 1.00 0.00 N ATOM 336 CA PRO A 24 -9.785 -4.742 9.539 1.00 0.00 C ATOM 337 C PRO A 24 -8.784 -5.495 8.636 1.00 0.00 C ATOM 338 O PRO A 24 -8.222 -4.916 7.705 1.00 0.00 O ATOM 339 CB PRO A 24 -11.065 -5.537 9.852 1.00 0.00 C ATOM 340 CG PRO A 24 -12.104 -5.002 8.886 1.00 0.00 C ATOM 341 CD PRO A 24 -11.725 -3.537 8.795 1.00 0.00 C ATOM 0 HA PRO A 24 -9.178 -4.579 10.429 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.910 -6.607 9.712 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.376 -5.393 10.887 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.053 -5.498 7.916 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.118 -5.139 9.261 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.007 -3.123 7.827 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.245 -2.954 9.555 1.00 0.00 H new ATOM 349 N ARG A 25 -8.567 -6.806 8.838 1.00 0.00 N ATOM 350 CA ARG A 25 -7.961 -7.701 7.821 1.00 0.00 C ATOM 351 C ARG A 25 -8.983 -8.576 7.105 1.00 0.00 C ATOM 352 O ARG A 25 -8.615 -9.229 6.129 1.00 0.00 O ATOM 353 CB ARG A 25 -6.862 -8.579 8.459 1.00 0.00 C ATOM 354 CG ARG A 25 -7.407 -9.749 9.303 1.00 0.00 C ATOM 355 CD ARG A 25 -6.290 -10.481 10.039 1.00 0.00 C ATOM 356 NE ARG A 25 -6.809 -11.562 10.894 1.00 0.00 N ATOM 357 CZ ARG A 25 -6.221 -12.063 11.989 1.00 0.00 C ATOM 358 NH1 ARG A 25 -5.091 -11.539 12.457 1.00 0.00 N ATOM 359 NH2 ARG A 25 -6.767 -13.085 12.640 1.00 0.00 N ATOM 0 H ARG A 25 -8.805 -7.281 9.709 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.519 -7.052 7.065 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.226 -8.979 7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.231 -7.953 9.089 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.131 -9.371 10.024 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.936 -10.449 8.656 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.590 -10.896 9.314 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.733 -9.771 10.650 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.705 -11.970 10.626 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.661 -10.746 11.981 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.655 -11.931 13.292 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.640 -13.494 12.307 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.313 -13.460 13.473 1.00 0.00 H new ATOM 373 N ALA A 26 -10.216 -8.633 7.603 1.00 0.00 N ATOM 374 CA ALA A 26 -11.240 -9.528 7.097 1.00 0.00 C ATOM 375 C ALA A 26 -11.999 -8.936 5.898 1.00 0.00 C ATOM 376 O ALA A 26 -12.627 -9.685 5.156 1.00 0.00 O ATOM 377 CB ALA A 26 -12.168 -9.844 8.273 1.00 0.00 C ATOM 0 H ALA A 26 -10.530 -8.050 8.378 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.788 -10.441 6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.959 -10.517 7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.596 -10.320 9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.610 -8.920 8.646 1.00 0.00 H new ATOM 383 N GLU A 27 -11.946 -7.620 5.697 1.00 0.00 N ATOM 384 CA GLU A 27 -12.581 -6.896 4.589 1.00 0.00 C ATOM 385 C GLU A 27 -11.661 -6.827 3.363 1.00 0.00 C ATOM 386 O GLU A 27 -12.155 -6.750 2.246 1.00 0.00 O ATOM 387 CB GLU A 27 -12.984 -5.497 5.109 1.00 0.00 C ATOM 388 CG GLU A 27 -14.295 -5.581 5.900 1.00 0.00 C ATOM 389 CD GLU A 27 -15.541 -5.185 5.114 1.00 0.00 C ATOM 390 OE1 GLU A 27 -15.620 -4.002 4.701 1.00 0.00 O ATOM 391 OE2 GLU A 27 -16.495 -5.999 5.067 1.00 0.00 O ATOM 0 H GLU A 27 -11.438 -7.000 6.327 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.473 -7.424 4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.194 -5.096 5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.100 -4.810 4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.420 -6.601 6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.216 -4.939 6.777 1.00 0.00 H new ATOM 398 N VAL A 28 -10.335 -6.932 3.548 1.00 0.00 N ATOM 399 CA VAL A 28 -9.309 -6.821 2.513 1.00 0.00 C ATOM 400 C VAL A 28 -9.733 -7.608 1.286 1.00 0.00 C ATOM 401 O VAL A 28 -9.789 -7.047 0.198 1.00 0.00 O ATOM 402 CB VAL A 28 -7.937 -7.326 3.026 1.00 0.00 C ATOM 403 CG1 VAL A 28 -6.898 -7.498 1.903 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.313 -6.387 4.067 1.00 0.00 C ATOM 0 H VAL A 28 -9.936 -7.105 4.471 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.200 -5.769 2.249 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.166 -8.293 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.959 -7.854 2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.265 -8.222 1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.733 -6.540 1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.354 -6.790 4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.162 -5.402 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.979 -6.301 4.925 1.00 0.00 H new ATOM 414 N ALA A 29 -9.951 -8.912 1.452 1.00 0.00 N ATOM 415 CA ALA A 29 -10.044 -9.798 0.291 1.00 0.00 C ATOM 416 C ALA A 29 -11.239 -9.513 -0.627 1.00 0.00 C ATOM 417 O ALA A 29 -11.252 -10.034 -1.738 1.00 0.00 O ATOM 418 CB ALA A 29 -10.112 -11.255 0.720 1.00 0.00 C ATOM 0 H ALA A 29 -10.064 -9.371 2.356 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.136 -9.599 -0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.181 -11.891 -0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.214 -11.511 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.990 -11.409 1.347 1.00 0.00 H new ATOM 424 N GLU A 30 -12.225 -8.741 -0.175 1.00 0.00 N ATOM 425 CA GLU A 30 -13.315 -8.251 -1.009 1.00 0.00 C ATOM 426 C GLU A 30 -12.855 -7.073 -1.877 1.00 0.00 C ATOM 427 O GLU A 30 -13.305 -6.922 -3.013 1.00 0.00 O ATOM 428 CB GLU A 30 -14.497 -7.871 -0.096 1.00 0.00 C ATOM 429 CG GLU A 30 -15.391 -6.745 -0.644 1.00 0.00 C ATOM 430 CD GLU A 30 -16.638 -6.486 0.195 1.00 0.00 C ATOM 431 OE1 GLU A 30 -17.135 -7.412 0.874 1.00 0.00 O ATOM 432 OE2 GLU A 30 -17.185 -5.363 0.102 1.00 0.00 O ATOM 0 H GLU A 30 -12.288 -8.435 0.796 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.638 -9.031 -1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.111 -8.756 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.106 -7.567 0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.807 -5.826 -0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.694 -6.996 -1.660 1.00 0.00 H new ATOM 439 N LEU A 31 -12.021 -6.196 -1.314 1.00 0.00 N ATOM 440 CA LEU A 31 -11.580 -4.955 -1.938 1.00 0.00 C ATOM 441 C LEU A 31 -10.608 -5.284 -3.064 1.00 0.00 C ATOM 442 O LEU A 31 -10.594 -4.651 -4.124 1.00 0.00 O ATOM 443 CB LEU A 31 -10.882 -4.093 -0.869 1.00 0.00 C ATOM 444 CG LEU A 31 -11.781 -3.720 0.333 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.990 -2.899 1.341 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.957 -2.847 -0.092 1.00 0.00 C ATOM 0 H LEU A 31 -11.625 -6.337 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.428 -4.409 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.007 -4.629 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.521 -3.177 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.137 -4.659 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.631 -2.641 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.140 -3.481 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.631 -1.986 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.565 -2.606 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.583 -1.926 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.564 -3.384 -0.821 1.00 0.00 H new ATOM 458 N LEU A 32 -9.748 -6.266 -2.803 1.00 0.00 N ATOM 459 CA LEU A 32 -8.855 -6.840 -3.787 1.00 0.00 C ATOM 460 C LEU A 32 -9.654 -7.834 -4.620 1.00 0.00 C ATOM 461 O LEU A 32 -10.691 -8.334 -4.189 1.00 0.00 O ATOM 462 CB LEU A 32 -7.655 -7.518 -3.106 1.00 0.00 C ATOM 463 CG LEU A 32 -7.108 -6.883 -1.811 1.00 0.00 C ATOM 464 CD1 LEU A 32 -5.820 -7.573 -1.406 1.00 0.00 C ATOM 465 CD2 LEU A 32 -6.830 -5.382 -1.871 1.00 0.00 C ATOM 0 H LEU A 32 -9.656 -6.689 -1.879 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.451 -6.060 -4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.935 -8.547 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.840 -7.560 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.910 -7.020 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.437 -7.121 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.013 -8.632 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.083 -7.463 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.450 -5.044 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.089 -5.180 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.752 -4.850 -2.104 1.00 0.00 H new ATOM 477 N VAL A 33 -9.181 -8.120 -5.828 1.00 0.00 N ATOM 478 CA VAL A 33 -9.972 -8.831 -6.827 1.00 0.00 C ATOM 479 C VAL A 33 -9.037 -9.738 -7.598 1.00 0.00 C ATOM 480 O VAL A 33 -9.316 -10.928 -7.768 1.00 0.00 O ATOM 481 CB VAL A 33 -10.685 -7.848 -7.788 1.00 0.00 C ATOM 482 CG1 VAL A 33 -11.876 -8.528 -8.476 1.00 0.00 C ATOM 483 CG2 VAL A 33 -11.181 -6.560 -7.112 1.00 0.00 C ATOM 0 H VAL A 33 -8.244 -7.867 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.750 -9.412 -6.332 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.926 -7.563 -8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.362 -7.819 -9.146 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.524 -9.386 -9.048 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.589 -8.862 -7.722 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.668 -5.925 -7.852 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.892 -6.813 -6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.335 -6.027 -6.678 1.00 0.00 H new ATOM 493 N HIS A 34 -7.945 -9.166 -8.096 1.00 0.00 N ATOM 494 CA HIS A 34 -6.960 -9.830 -8.931 1.00 0.00 C ATOM 495 C HIS A 34 -5.625 -9.726 -8.206 1.00 0.00 C ATOM 496 O HIS A 34 -5.482 -8.937 -7.266 1.00 0.00 O ATOM 497 CB HIS A 34 -6.893 -9.148 -10.309 1.00 0.00 C ATOM 498 CG HIS A 34 -8.188 -9.037 -11.076 1.00 0.00 C ATOM 499 ND1 HIS A 34 -8.457 -8.103 -12.050 1.00 0.00 N ATOM 500 CD2 HIS A 34 -9.303 -9.819 -10.945 1.00 0.00 C ATOM 501 CE1 HIS A 34 -9.703 -8.320 -12.491 1.00 0.00 C ATOM 502 NE2 HIS A 34 -10.261 -9.360 -11.853 1.00 0.00 N ATOM 0 H HIS A 34 -7.717 -8.188 -7.919 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.221 -10.875 -9.099 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.492 -8.144 -10.172 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.179 -9.695 -10.925 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.422 -10.646 -10.260 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -10.192 -7.737 -13.257 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.196 -9.739 -12.001 1.00 0.00 H new ATOM 510 N SER A 35 -4.621 -10.480 -8.649 1.00 0.00 N ATOM 511 CA SER A 35 -3.285 -10.274 -8.118 1.00 0.00 C ATOM 512 C SER A 35 -2.872 -8.822 -8.381 1.00 0.00 C ATOM 513 O SER A 35 -3.187 -8.258 -9.436 1.00 0.00 O ATOM 514 CB SER A 35 -2.298 -11.245 -8.754 1.00 0.00 C ATOM 515 OG SER A 35 -2.761 -12.586 -8.687 1.00 0.00 O ATOM 0 H SER A 35 -4.705 -11.215 -9.351 1.00 0.00 H new ATOM 0 HA SER A 35 -3.282 -10.463 -7.045 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.135 -10.968 -9.796 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.335 -11.167 -8.249 1.00 0.00 H new ATOM 0 HG SER A 35 -2.104 -13.180 -9.106 1.00 0.00 H new ATOM 521 N GLY A 36 -2.177 -8.206 -7.430 1.00 0.00 N ATOM 522 CA GLY A 36 -1.640 -6.867 -7.588 1.00 0.00 C ATOM 523 C GLY A 36 -2.454 -5.779 -6.926 1.00 0.00 C ATOM 524 O GLY A 36 -1.888 -4.713 -6.702 1.00 0.00 O ATOM 0 H GLY A 36 -1.972 -8.628 -6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.629 -6.845 -7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.560 -6.645 -8.652 1.00 0.00 H new ATOM 528 N ASP A 37 -3.742 -6.022 -6.658 1.00 0.00 N ATOM 529 CA ASP A 37 -4.627 -5.110 -5.934 1.00 0.00 C ATOM 530 C ASP A 37 -4.030 -4.932 -4.550 1.00 0.00 C ATOM 531 O ASP A 37 -3.810 -5.936 -3.866 1.00 0.00 O ATOM 532 CB ASP A 37 -6.041 -5.701 -5.767 1.00 0.00 C ATOM 533 CG ASP A 37 -6.978 -5.474 -6.946 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.649 -4.421 -7.009 1.00 0.00 O ATOM 535 OD2 ASP A 37 -7.120 -6.398 -7.777 1.00 0.00 O ATOM 0 H ASP A 37 -4.207 -6.882 -6.948 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.712 -4.174 -6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.952 -6.774 -5.595 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.495 -5.271 -4.874 1.00 0.00 H new ATOM 540 N PHE A 38 -3.821 -3.693 -4.106 1.00 0.00 N ATOM 541 CA PHE A 38 -3.490 -3.400 -2.716 1.00 0.00 C ATOM 542 C PHE A 38 -4.265 -2.195 -2.203 1.00 0.00 C ATOM 543 O PHE A 38 -4.741 -1.354 -2.968 1.00 0.00 O ATOM 544 CB PHE A 38 -1.976 -3.175 -2.528 1.00 0.00 C ATOM 545 CG PHE A 38 -1.464 -1.899 -3.151 1.00 0.00 C ATOM 546 CD1 PHE A 38 -1.142 -1.909 -4.514 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.404 -0.693 -2.421 1.00 0.00 C ATOM 548 CE1 PHE A 38 -0.901 -0.702 -5.172 1.00 0.00 C ATOM 549 CE2 PHE A 38 -1.069 0.507 -3.077 1.00 0.00 C ATOM 550 CZ PHE A 38 -0.847 0.506 -4.465 1.00 0.00 C ATOM 0 H PHE A 38 -3.877 -2.866 -4.701 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.781 -4.273 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.750 -3.163 -1.462 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.437 -4.019 -2.958 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.081 -2.844 -5.052 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.615 -0.690 -1.362 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.754 -0.699 -6.242 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.983 1.425 -2.515 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.636 1.430 -4.983 1.00 0.00 H new ATOM 560 N LEU A 39 -4.306 -2.092 -0.877 1.00 0.00 N ATOM 561 CA LEU A 39 -4.723 -0.924 -0.131 1.00 0.00 C ATOM 562 C LEU A 39 -3.733 -0.715 1.018 1.00 0.00 C ATOM 563 O LEU A 39 -2.991 -1.637 1.384 1.00 0.00 O ATOM 564 CB LEU A 39 -6.176 -1.101 0.325 1.00 0.00 C ATOM 565 CG LEU A 39 -6.386 -2.148 1.438 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.782 -1.485 2.742 1.00 0.00 C ATOM 567 CD2 LEU A 39 -7.477 -3.137 1.053 1.00 0.00 C ATOM 0 H LEU A 39 -4.034 -2.865 -0.269 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.708 -0.022 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.551 -0.139 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.780 -1.383 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.439 -2.673 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.924 -2.246 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.996 -0.797 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.712 -0.934 2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.607 -3.865 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.413 -2.602 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.193 -3.653 0.136 1.00 0.00 H new ATOM 579 N VAL A 40 -3.718 0.491 1.573 1.00 0.00 N ATOM 580 CA VAL A 40 -3.048 0.857 2.809 1.00 0.00 C ATOM 581 C VAL A 40 -4.180 1.118 3.794 1.00 0.00 C ATOM 582 O VAL A 40 -5.131 1.849 3.501 1.00 0.00 O ATOM 583 CB VAL A 40 -2.138 2.091 2.625 1.00 0.00 C ATOM 584 CG1 VAL A 40 -1.449 2.497 3.937 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.043 1.850 1.573 1.00 0.00 C ATOM 0 H VAL A 40 -4.201 1.282 1.147 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.377 0.073 3.161 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.799 2.891 2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.819 3.369 3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.204 2.739 4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.835 1.671 4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.427 2.744 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.419 1.012 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.505 1.623 0.612 1.00 0.00 H new ATOM 595 N ARG A 41 -4.098 0.474 4.949 1.00 0.00 N ATOM 596 CA ARG A 41 -5.045 0.592 6.043 1.00 0.00 C ATOM 597 C ARG A 41 -4.284 0.864 7.319 1.00 0.00 C ATOM 598 O ARG A 41 -3.072 0.671 7.344 1.00 0.00 O ATOM 599 CB ARG A 41 -5.869 -0.695 6.168 1.00 0.00 C ATOM 600 CG ARG A 41 -5.036 -1.934 6.499 1.00 0.00 C ATOM 601 CD ARG A 41 -5.873 -3.197 6.290 1.00 0.00 C ATOM 602 NE ARG A 41 -5.229 -4.381 6.873 1.00 0.00 N ATOM 603 CZ ARG A 41 -5.164 -4.643 8.186 1.00 0.00 C ATOM 604 NH1 ARG A 41 -5.721 -3.850 9.095 1.00 0.00 N ATOM 605 NH2 ARG A 41 -4.501 -5.713 8.612 1.00 0.00 N ATOM 0 H ARG A 41 -3.336 -0.172 5.156 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.733 1.415 5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.623 -0.558 6.943 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.401 -0.866 5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.149 -1.966 5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.689 -1.884 7.531 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.856 -3.060 6.740 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.030 -3.357 5.223 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.801 -5.051 6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.219 -3.009 8.802 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.651 -4.082 10.086 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.044 -6.331 7.941 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.449 -5.917 9.610 1.00 0.00 H new ATOM 619 N GLU A 42 -4.957 1.257 8.390 1.00 0.00 N ATOM 620 CA GLU A 42 -4.350 1.235 9.708 1.00 0.00 C ATOM 621 C GLU A 42 -4.482 -0.160 10.312 1.00 0.00 C ATOM 622 O GLU A 42 -5.301 -0.980 9.878 1.00 0.00 O ATOM 623 CB GLU A 42 -4.909 2.367 10.580 1.00 0.00 C ATOM 624 CG GLU A 42 -3.982 2.679 11.773 1.00 0.00 C ATOM 625 CD GLU A 42 -4.406 2.100 13.136 1.00 0.00 C ATOM 626 OE1 GLU A 42 -5.541 2.365 13.595 1.00 0.00 O ATOM 627 OE2 GLU A 42 -3.552 1.451 13.787 1.00 0.00 O ATOM 0 H GLU A 42 -5.920 1.593 8.371 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.280 1.434 9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.037 3.264 9.974 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.896 2.089 10.949 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.985 2.306 11.538 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.903 3.762 11.871 1.00 0.00 H new ATOM 634 N SER A 43 -3.656 -0.422 11.320 1.00 0.00 N ATOM 635 CA SER A 43 -3.728 -1.553 12.213 1.00 0.00 C ATOM 636 C SER A 43 -4.967 -1.402 13.101 1.00 0.00 C ATOM 637 O SER A 43 -5.953 -0.779 12.702 1.00 0.00 O ATOM 638 CB SER A 43 -2.390 -1.644 12.960 1.00 0.00 C ATOM 639 OG SER A 43 -2.149 -2.898 13.590 1.00 0.00 O ATOM 0 H SER A 43 -2.873 0.193 11.541 1.00 0.00 H new ATOM 0 HA SER A 43 -3.858 -2.504 11.696 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.582 -1.444 12.257 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.356 -0.860 13.716 1.00 0.00 H new ATOM 0 HG SER A 43 -1.279 -2.876 14.041 1.00 0.00 H new ATOM 645 N GLN A 44 -4.983 -2.056 14.261 1.00 0.00 N ATOM 646 CA GLN A 44 -6.105 -1.944 15.177 1.00 0.00 C ATOM 647 C GLN A 44 -5.729 -0.956 16.279 1.00 0.00 C ATOM 648 O GLN A 44 -5.324 -1.360 17.372 1.00 0.00 O ATOM 649 CB GLN A 44 -6.553 -3.317 15.696 1.00 0.00 C ATOM 650 CG GLN A 44 -6.930 -4.266 14.555 1.00 0.00 C ATOM 651 CD GLN A 44 -7.920 -5.338 14.997 1.00 0.00 C ATOM 652 OE1 GLN A 44 -7.675 -6.072 15.953 1.00 0.00 O ATOM 653 NE2 GLN A 44 -9.058 -5.443 14.338 1.00 0.00 N ATOM 0 H GLN A 44 -4.232 -2.666 14.584 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.981 -1.553 14.660 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.751 -3.761 16.287 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.407 -3.192 16.361 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.362 -3.692 13.735 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.029 -4.743 14.170 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.248 -4.828 13.547 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.748 -6.140 14.619 1.00 0.00 H new ATOM 662 N GLY A 45 -5.814 0.339 15.973 1.00 0.00 N ATOM 663 CA GLY A 45 -5.502 1.407 16.910 1.00 0.00 C ATOM 664 C GLY A 45 -4.057 1.323 17.390 1.00 0.00 C ATOM 665 O GLY A 45 -3.793 1.481 18.579 1.00 0.00 O ATOM 0 H GLY A 45 -6.105 0.675 15.055 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.673 2.372 16.434 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.175 1.350 17.766 1.00 0.00 H new ATOM 669 N LYS A 46 -3.116 1.025 16.494 1.00 0.00 N ATOM 670 CA LYS A 46 -1.682 0.985 16.796 1.00 0.00 C ATOM 671 C LYS A 46 -0.954 2.184 16.196 1.00 0.00 C ATOM 672 O LYS A 46 0.257 2.293 16.379 1.00 0.00 O ATOM 673 CB LYS A 46 -1.074 -0.330 16.288 1.00 0.00 C ATOM 674 CG LYS A 46 -1.740 -1.606 16.824 1.00 0.00 C ATOM 675 CD LYS A 46 -1.596 -1.715 18.345 1.00 0.00 C ATOM 676 CE LYS A 46 -2.030 -3.080 18.889 1.00 0.00 C ATOM 677 NZ LYS A 46 -1.001 -4.125 18.707 1.00 0.00 N ATOM 0 H LYS A 46 -3.330 0.801 15.522 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.560 1.035 17.878 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.128 -0.340 15.199 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.017 -0.351 16.555 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.797 -1.607 16.556 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.291 -2.479 16.351 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.557 -1.533 18.620 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.192 -0.935 18.818 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.261 -2.986 19.950 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.948 -3.390 18.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.349 -5.026 19.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.797 -4.238 17.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.132 -3.847 19.206 1.00 0.00 H new ATOM 691 N GLN A 47 -1.692 3.054 15.500 1.00 0.00 N ATOM 692 CA GLN A 47 -1.211 4.137 14.651 1.00 0.00 C ATOM 693 C GLN A 47 -0.198 3.648 13.609 1.00 0.00 C ATOM 694 O GLN A 47 0.651 4.422 13.167 1.00 0.00 O ATOM 695 CB GLN A 47 -0.671 5.317 15.484 1.00 0.00 C ATOM 696 CG GLN A 47 -1.637 5.866 16.543 1.00 0.00 C ATOM 697 CD GLN A 47 -1.064 7.108 17.235 1.00 0.00 C ATOM 698 OE1 GLN A 47 0.146 7.282 17.366 1.00 0.00 O ATOM 699 NE2 GLN A 47 -1.902 8.028 17.669 1.00 0.00 N ATOM 0 H GLN A 47 -2.711 3.013 15.519 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.069 4.511 14.093 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.246 5.000 15.981 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.402 6.127 14.806 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.589 6.116 16.074 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.840 5.095 17.286 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.907 7.892 17.564 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.545 8.876 18.109 1.00 0.00 H new ATOM 708 N GLU A 48 -0.238 2.362 13.260 1.00 0.00 N ATOM 709 CA GLU A 48 0.715 1.713 12.387 1.00 0.00 C ATOM 710 C GLU A 48 -0.055 1.294 11.160 1.00 0.00 C ATOM 711 O GLU A 48 -1.123 0.693 11.282 1.00 0.00 O ATOM 712 CB GLU A 48 1.342 0.514 13.099 1.00 0.00 C ATOM 713 CG GLU A 48 2.243 -0.339 12.196 1.00 0.00 C ATOM 714 CD GLU A 48 3.427 0.486 11.662 1.00 0.00 C ATOM 715 OE1 GLU A 48 3.255 1.269 10.701 1.00 0.00 O ATOM 716 OE2 GLU A 48 4.499 0.431 12.304 1.00 0.00 O ATOM 0 H GLU A 48 -0.965 1.729 13.594 1.00 0.00 H new ATOM 0 HA GLU A 48 1.535 2.375 12.111 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.927 0.871 13.947 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.547 -0.114 13.502 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.616 -1.197 12.755 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.662 -0.730 11.361 1.00 0.00 H new ATOM 723 N TYR A 49 0.436 1.672 9.992 1.00 0.00 N ATOM 724 CA TYR A 49 -0.242 1.323 8.760 1.00 0.00 C ATOM 725 C TYR A 49 0.150 -0.083 8.323 1.00 0.00 C ATOM 726 O TYR A 49 1.181 -0.650 8.694 1.00 0.00 O ATOM 727 CB TYR A 49 -0.041 2.380 7.669 1.00 0.00 C ATOM 728 CG TYR A 49 -0.660 3.726 7.997 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.045 3.832 8.218 1.00 0.00 C ATOM 730 CD2 TYR A 49 0.144 4.876 8.079 1.00 0.00 C ATOM 731 CE1 TYR A 49 -2.620 5.069 8.566 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.428 6.126 8.364 1.00 0.00 C ATOM 733 CZ TYR A 49 -1.813 6.228 8.620 1.00 0.00 C ATOM 734 OH TYR A 49 -2.361 7.437 8.926 1.00 0.00 O ATOM 0 H TYR A 49 1.292 2.214 9.873 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.316 1.313 8.946 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.027 2.514 7.499 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.469 2.012 6.737 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.672 2.958 8.120 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.210 4.797 7.922 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.674 5.132 8.791 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.192 7.010 8.387 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.662 8.124 8.920 1.00 0.00 H new ATOM 744 N VAL A 50 -0.702 -0.667 7.498 1.00 0.00 N ATOM 745 CA VAL A 50 -0.646 -2.034 7.047 1.00 0.00 C ATOM 746 C VAL A 50 -0.973 -1.981 5.573 1.00 0.00 C ATOM 747 O VAL A 50 -1.961 -1.384 5.149 1.00 0.00 O ATOM 748 CB VAL A 50 -1.627 -2.914 7.842 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.364 -4.405 7.576 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.547 -2.619 9.339 1.00 0.00 C ATOM 0 H VAL A 50 -1.497 -0.163 7.105 1.00 0.00 H new ATOM 0 HA VAL A 50 0.333 -2.486 7.207 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.635 -2.674 7.502 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.070 -5.007 8.149 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.489 -4.613 6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.347 -4.654 7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.252 -3.256 9.874 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.536 -2.817 9.695 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.796 -1.573 9.518 1.00 0.00 H new ATOM 760 N LEU A 51 -0.105 -2.574 4.781 1.00 0.00 N ATOM 761 CA LEU A 51 -0.403 -2.877 3.399 1.00 0.00 C ATOM 762 C LEU A 51 -1.231 -4.149 3.408 1.00 0.00 C ATOM 763 O LEU A 51 -0.963 -5.070 4.189 1.00 0.00 O ATOM 764 CB LEU A 51 0.895 -3.115 2.613 1.00 0.00 C ATOM 765 CG LEU A 51 0.687 -2.950 1.097 1.00 0.00 C ATOM 766 CD1 LEU A 51 0.617 -1.468 0.721 1.00 0.00 C ATOM 767 CD2 LEU A 51 1.832 -3.621 0.346 1.00 0.00 C ATOM 0 H LEU A 51 0.828 -2.860 5.078 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.935 -2.052 2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.659 -2.415 2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.267 -4.118 2.821 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.256 -3.422 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.470 -1.372 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.216 -0.999 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.547 -0.976 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.682 -3.503 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.776 -3.159 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.857 -4.682 0.594 1.00 0.00 H new ATOM 779 N SER A 52 -2.208 -4.281 2.526 1.00 0.00 N ATOM 780 CA SER A 52 -2.835 -5.568 2.283 1.00 0.00 C ATOM 781 C SER A 52 -3.043 -5.714 0.785 1.00 0.00 C ATOM 782 O SER A 52 -3.517 -4.772 0.153 1.00 0.00 O ATOM 783 CB SER A 52 -4.104 -5.666 3.118 1.00 0.00 C ATOM 784 OG SER A 52 -3.770 -5.650 4.503 1.00 0.00 O ATOM 0 H SER A 52 -2.583 -3.514 1.968 1.00 0.00 H new ATOM 0 HA SER A 52 -2.213 -6.407 2.595 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.769 -4.835 2.885 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.641 -6.582 2.874 1.00 0.00 H new ATOM 0 HG SER A 52 -3.887 -6.548 4.878 1.00 0.00 H new ATOM 790 N VAL A 53 -2.572 -6.827 0.218 1.00 0.00 N ATOM 791 CA VAL A 53 -2.296 -6.972 -1.206 1.00 0.00 C ATOM 792 C VAL A 53 -2.508 -8.429 -1.633 1.00 0.00 C ATOM 793 O VAL A 53 -2.091 -9.338 -0.913 1.00 0.00 O ATOM 794 CB VAL A 53 -0.872 -6.442 -1.494 1.00 0.00 C ATOM 795 CG1 VAL A 53 0.204 -7.036 -0.572 1.00 0.00 C ATOM 796 CG2 VAL A 53 -0.461 -6.624 -2.962 1.00 0.00 C ATOM 0 H VAL A 53 -2.368 -7.671 0.753 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.988 -6.379 -1.804 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.931 -5.375 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.177 -6.619 -0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.030 -6.792 0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.230 -8.119 -0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.547 -6.235 -3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.482 -7.684 -3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.156 -6.083 -3.604 1.00 0.00 H new ATOM 806 N LEU A 54 -3.197 -8.670 -2.752 1.00 0.00 N ATOM 807 CA LEU A 54 -3.560 -10.011 -3.204 1.00 0.00 C ATOM 808 C LEU A 54 -2.386 -10.497 -4.041 1.00 0.00 C ATOM 809 O LEU A 54 -2.032 -9.840 -5.024 1.00 0.00 O ATOM 810 CB LEU A 54 -4.864 -10.009 -4.035 1.00 0.00 C ATOM 811 CG LEU A 54 -5.640 -11.348 -4.048 1.00 0.00 C ATOM 812 CD1 LEU A 54 -4.771 -12.588 -4.024 1.00 0.00 C ATOM 813 CD2 LEU A 54 -6.627 -11.385 -2.883 1.00 0.00 C ATOM 0 H LEU A 54 -3.521 -7.930 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.753 -10.666 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.521 -9.230 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.621 -9.739 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.162 -11.375 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.403 -13.476 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.121 -12.594 -4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.162 -12.588 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.171 -12.330 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.084 -11.293 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.332 -10.559 -2.977 1.00 0.00 H new ATOM 825 N TRP A 55 -1.789 -11.629 -3.682 1.00 0.00 N ATOM 826 CA TRP A 55 -0.806 -12.298 -4.512 1.00 0.00 C ATOM 827 C TRP A 55 -1.212 -13.760 -4.612 1.00 0.00 C ATOM 828 O TRP A 55 -1.454 -14.380 -3.579 1.00 0.00 O ATOM 829 CB TRP A 55 0.590 -12.089 -3.921 1.00 0.00 C ATOM 830 CG TRP A 55 1.694 -12.130 -4.929 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.819 -12.872 -4.846 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.841 -11.322 -6.136 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.641 -12.594 -5.919 1.00 0.00 N ATOM 834 CE2 TRP A 55 3.102 -11.616 -6.738 1.00 0.00 C ATOM 835 CE3 TRP A 55 1.070 -10.296 -6.721 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.575 -10.894 -7.851 1.00 0.00 C ATOM 837 CZ3 TRP A 55 1.497 -9.632 -7.883 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.739 -9.944 -8.453 1.00 0.00 C ATOM 0 H TRP A 55 -1.978 -12.107 -2.801 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.769 -11.887 -5.521 1.00 0.00 H new ATOM 0 HB2 TRP A 55 0.616 -11.127 -3.409 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.772 -12.855 -3.168 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.042 -13.577 -4.059 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.536 -13.053 -6.088 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.132 -10.015 -6.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.569 -11.070 -8.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.868 -8.881 -8.337 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.053 -9.450 -9.360 1.00 0.00 H new ATOM 849 N ASP A 56 -1.364 -14.263 -5.838 1.00 0.00 N ATOM 850 CA ASP A 56 -1.809 -15.607 -6.217 1.00 0.00 C ATOM 851 C ASP A 56 -2.834 -16.188 -5.229 1.00 0.00 C ATOM 852 O ASP A 56 -2.594 -17.190 -4.545 1.00 0.00 O ATOM 853 CB ASP A 56 -0.581 -16.492 -6.451 1.00 0.00 C ATOM 854 CG ASP A 56 -0.894 -17.796 -7.194 1.00 0.00 C ATOM 855 OD1 ASP A 56 -1.283 -18.799 -6.551 1.00 0.00 O ATOM 856 OD2 ASP A 56 -0.627 -17.867 -8.416 1.00 0.00 O ATOM 0 H ASP A 56 -1.163 -13.694 -6.660 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.360 -15.559 -7.156 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.159 -15.929 -7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.128 -16.732 -5.489 1.00 0.00 H new ATOM 861 N GLY A 57 -3.993 -15.524 -5.146 1.00 0.00 N ATOM 862 CA GLY A 57 -5.152 -16.013 -4.409 1.00 0.00 C ATOM 863 C GLY A 57 -4.907 -16.077 -2.906 1.00 0.00 C ATOM 864 O GLY A 57 -5.530 -16.882 -2.215 1.00 0.00 O ATOM 0 H GLY A 57 -4.149 -14.622 -5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.004 -15.363 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.417 -17.006 -4.773 1.00 0.00 H new ATOM 868 N LEU A 58 -3.994 -15.247 -2.399 1.00 0.00 N ATOM 869 CA LEU A 58 -3.779 -15.039 -0.973 1.00 0.00 C ATOM 870 C LEU A 58 -3.611 -13.534 -0.702 1.00 0.00 C ATOM 871 O LEU A 58 -2.565 -12.980 -1.048 1.00 0.00 O ATOM 872 CB LEU A 58 -2.577 -15.871 -0.490 1.00 0.00 C ATOM 873 CG LEU A 58 -2.610 -16.128 1.028 1.00 0.00 C ATOM 874 CD1 LEU A 58 -1.536 -17.149 1.412 1.00 0.00 C ATOM 875 CD2 LEU A 58 -2.381 -14.864 1.861 1.00 0.00 C ATOM 0 H LEU A 58 -3.372 -14.690 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.643 -15.382 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.565 -16.825 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.653 -15.353 -0.748 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.610 -16.501 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.568 -17.324 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.720 -18.086 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.554 -16.765 1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.417 -15.115 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.405 -14.442 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.158 -14.134 1.635 1.00 0.00 H new ATOM 887 N PRO A 59 -4.595 -12.852 -0.086 1.00 0.00 N ATOM 888 CA PRO A 59 -4.457 -11.484 0.419 1.00 0.00 C ATOM 889 C PRO A 59 -3.400 -11.435 1.527 1.00 0.00 C ATOM 890 O PRO A 59 -3.673 -11.690 2.702 1.00 0.00 O ATOM 891 CB PRO A 59 -5.846 -11.067 0.916 1.00 0.00 C ATOM 892 CG PRO A 59 -6.452 -12.405 1.312 1.00 0.00 C ATOM 893 CD PRO A 59 -5.868 -13.409 0.339 1.00 0.00 C ATOM 0 HA PRO A 59 -4.116 -10.793 -0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.788 -10.379 1.759 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.426 -10.570 0.138 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.201 -12.662 2.341 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.540 -12.380 1.246 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.731 -14.380 0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.532 -13.561 -0.512 1.00 0.00 H new ATOM 901 N ARG A 60 -2.154 -11.149 1.168 1.00 0.00 N ATOM 902 CA ARG A 60 -1.094 -10.923 2.133 1.00 0.00 C ATOM 903 C ARG A 60 -1.414 -9.648 2.908 1.00 0.00 C ATOM 904 O ARG A 60 -2.059 -8.732 2.392 1.00 0.00 O ATOM 905 CB ARG A 60 0.242 -10.764 1.397 1.00 0.00 C ATOM 906 CG ARG A 60 0.588 -11.902 0.421 1.00 0.00 C ATOM 907 CD ARG A 60 1.063 -13.158 1.152 1.00 0.00 C ATOM 908 NE ARG A 60 1.161 -14.302 0.233 1.00 0.00 N ATOM 909 CZ ARG A 60 1.631 -15.517 0.529 1.00 0.00 C ATOM 910 NH1 ARG A 60 2.055 -15.796 1.763 1.00 0.00 N ATOM 911 NH2 ARG A 60 1.646 -16.456 -0.398 1.00 0.00 N ATOM 0 H ARG A 60 -1.854 -11.068 0.197 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.020 -11.767 2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.225 -9.825 0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.039 -10.685 2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.288 -12.142 -0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.365 -11.567 -0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.035 -12.971 1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.371 -13.395 1.960 1.00 0.00 H new ATOM 0 HE ARG A 60 0.839 -14.153 -0.723 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.022 -15.079 2.488 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.413 -16.726 1.981 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.300 -16.253 -1.336 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.004 -17.385 -0.177 1.00 0.00 H new ATOM 925 N HIS A 61 -0.872 -9.541 4.113 1.00 0.00 N ATOM 926 CA HIS A 61 -0.877 -8.327 4.908 1.00 0.00 C ATOM 927 C HIS A 61 0.550 -8.145 5.392 1.00 0.00 C ATOM 928 O HIS A 61 1.077 -9.006 6.101 1.00 0.00 O ATOM 929 CB HIS A 61 -1.859 -8.395 6.086 1.00 0.00 C ATOM 930 CG HIS A 61 -3.176 -9.059 5.787 1.00 0.00 C ATOM 931 ND1 HIS A 61 -4.265 -8.497 5.157 1.00 0.00 N ATOM 932 CD2 HIS A 61 -3.483 -10.359 6.073 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.215 -9.449 5.071 1.00 0.00 C ATOM 934 NE2 HIS A 61 -4.786 -10.591 5.633 1.00 0.00 N ATOM 0 H HIS A 61 -0.404 -10.320 4.575 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.215 -7.481 4.309 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.380 -8.929 6.907 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.053 -7.381 6.435 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.834 -11.077 6.553 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.184 -9.313 4.615 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -5.312 -11.461 5.721 1.00 0.00 H new ATOM 942 N PHE A 62 1.187 -7.061 4.978 1.00 0.00 N ATOM 943 CA PHE A 62 2.514 -6.685 5.430 1.00 0.00 C ATOM 944 C PHE A 62 2.341 -5.361 6.151 1.00 0.00 C ATOM 945 O PHE A 62 1.736 -4.452 5.597 1.00 0.00 O ATOM 946 CB PHE A 62 3.487 -6.584 4.242 1.00 0.00 C ATOM 947 CG PHE A 62 3.499 -7.772 3.298 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.240 -8.930 3.603 1.00 0.00 C ATOM 949 CD2 PHE A 62 2.792 -7.699 2.084 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.297 -9.998 2.688 1.00 0.00 C ATOM 951 CE2 PHE A 62 2.861 -8.761 1.171 1.00 0.00 C ATOM 952 CZ PHE A 62 3.612 -9.914 1.464 1.00 0.00 C ATOM 0 H PHE A 62 0.787 -6.407 4.306 1.00 0.00 H new ATOM 0 HA PHE A 62 2.948 -7.430 6.097 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.240 -5.690 3.669 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.495 -6.444 4.633 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.767 -8.999 4.543 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.197 -6.827 1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.868 -10.883 2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.332 -8.693 0.232 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.662 -10.727 0.755 1.00 0.00 H new ATOM 962 N ILE A 63 2.817 -5.243 7.388 1.00 0.00 N ATOM 963 CA ILE A 63 2.896 -3.950 8.062 1.00 0.00 C ATOM 964 C ILE A 63 3.687 -3.017 7.140 1.00 0.00 C ATOM 965 O ILE A 63 4.624 -3.458 6.462 1.00 0.00 O ATOM 966 CB ILE A 63 3.497 -4.151 9.473 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.527 -4.977 10.347 1.00 0.00 C ATOM 968 CG2 ILE A 63 3.879 -2.851 10.196 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.185 -4.306 10.676 1.00 0.00 C ATOM 0 H ILE A 63 3.154 -6.028 7.945 1.00 0.00 H new ATOM 0 HA ILE A 63 1.925 -3.486 8.235 1.00 0.00 H new ATOM 0 HB ILE A 63 4.433 -4.689 9.322 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.325 -5.920 9.840 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.029 -5.220 11.283 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.292 -3.088 11.177 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.624 -2.314 9.609 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.993 -2.228 10.316 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.585 -4.975 11.293 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.366 -3.377 11.217 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.650 -4.089 9.751 1.00 0.00 H new ATOM 981 N ILE A 64 3.262 -1.762 7.029 1.00 0.00 N ATOM 982 CA ILE A 64 3.999 -0.748 6.287 1.00 0.00 C ATOM 983 C ILE A 64 5.365 -0.594 6.973 1.00 0.00 C ATOM 984 O ILE A 64 5.625 -1.081 8.076 1.00 0.00 O ATOM 985 CB ILE A 64 3.161 0.556 6.190 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.853 0.351 5.401 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.881 1.781 5.605 1.00 0.00 C ATOM 988 CD1 ILE A 64 1.995 0.191 3.892 1.00 0.00 C ATOM 0 H ILE A 64 2.398 -1.421 7.451 1.00 0.00 H new ATOM 0 HA ILE A 64 4.180 -1.031 5.250 1.00 0.00 H new ATOM 0 HB ILE A 64 2.960 0.777 7.238 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.351 -0.533 5.794 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.199 1.201 5.595 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.198 2.630 5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.746 2.024 6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.211 1.559 4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.010 0.054 3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.461 1.083 3.474 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.616 -0.678 3.675 1.00 0.00 H new ATOM 1000 N GLN A 65 6.295 0.001 6.255 1.00 0.00 N ATOM 1001 CA GLN A 65 7.652 0.202 6.700 1.00 0.00 C ATOM 1002 C GLN A 65 7.671 1.320 7.748 1.00 0.00 C ATOM 1003 O GLN A 65 6.658 1.984 7.958 1.00 0.00 O ATOM 1004 CB GLN A 65 8.508 0.507 5.458 1.00 0.00 C ATOM 1005 CG GLN A 65 8.122 -0.351 4.233 1.00 0.00 C ATOM 1006 CD GLN A 65 7.069 0.244 3.299 1.00 0.00 C ATOM 1007 OE1 GLN A 65 5.880 -0.009 3.467 1.00 0.00 O ATOM 1008 NE2 GLN A 65 7.473 0.991 2.286 1.00 0.00 N ATOM 0 H GLN A 65 6.119 0.367 5.319 1.00 0.00 H new ATOM 0 HA GLN A 65 8.069 -0.681 7.184 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.405 1.562 5.203 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.558 0.338 5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.024 -0.546 3.653 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.758 -1.315 4.590 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.466 1.190 2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.792 1.368 1.627 1.00 0.00 H new ATOM 1017 N SER A 66 8.817 1.561 8.374 1.00 0.00 N ATOM 1018 CA SER A 66 9.087 2.653 9.304 1.00 0.00 C ATOM 1019 C SER A 66 10.462 2.361 9.891 1.00 0.00 C ATOM 1020 O SER A 66 10.707 1.246 10.365 1.00 0.00 O ATOM 1021 CB SER A 66 8.011 2.773 10.401 1.00 0.00 C ATOM 1022 OG SER A 66 8.432 3.601 11.473 1.00 0.00 O ATOM 0 H SER A 66 9.632 0.963 8.238 1.00 0.00 H new ATOM 0 HA SER A 66 9.065 3.614 8.791 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.096 3.178 9.968 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.771 1.781 10.783 1.00 0.00 H new ATOM 0 HG SER A 66 7.721 3.652 12.146 1.00 0.00 H new ATOM 1028 N LEU A 67 11.353 3.346 9.840 1.00 0.00 N ATOM 1029 CA LEU A 67 12.700 3.274 10.393 1.00 0.00 C ATOM 1030 C LEU A 67 12.909 4.399 11.395 1.00 0.00 C ATOM 1031 O LEU A 67 12.919 4.131 12.595 1.00 0.00 O ATOM 1032 CB LEU A 67 13.783 3.231 9.305 1.00 0.00 C ATOM 1033 CG LEU A 67 13.590 4.184 8.107 1.00 0.00 C ATOM 1034 CD1 LEU A 67 14.930 4.785 7.690 1.00 0.00 C ATOM 1035 CD2 LEU A 67 12.997 3.410 6.931 1.00 0.00 C ATOM 0 H LEU A 67 11.151 4.243 9.399 1.00 0.00 H new ATOM 0 HA LEU A 67 12.801 2.329 10.926 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.743 3.456 9.769 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.844 2.212 8.924 1.00 0.00 H new ATOM 0 HG LEU A 67 12.914 4.987 8.400 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.780 5.456 6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.354 5.343 8.525 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.614 3.986 7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.860 4.083 6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.673 2.603 6.648 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.033 2.991 7.220 1.00 0.00 H new ATOM 1047 N ASP A 68 13.062 5.647 10.944 1.00 0.00 N ATOM 1048 CA ASP A 68 13.163 6.821 11.820 1.00 0.00 C ATOM 1049 C ASP A 68 12.005 7.740 11.452 1.00 0.00 C ATOM 1050 O ASP A 68 11.048 7.895 12.206 1.00 0.00 O ATOM 1051 CB ASP A 68 14.538 7.511 11.678 1.00 0.00 C ATOM 1052 CG ASP A 68 15.358 7.464 12.968 1.00 0.00 C ATOM 1053 OD1 ASP A 68 15.945 6.397 13.267 1.00 0.00 O ATOM 1054 OD2 ASP A 68 15.491 8.513 13.638 1.00 0.00 O ATOM 0 H ASP A 68 13.120 5.875 9.951 1.00 0.00 H new ATOM 0 HA ASP A 68 13.094 6.538 12.870 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.100 7.030 10.877 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.390 8.550 11.384 1.00 0.00 H new ATOM 1059 N ASN A 69 12.044 8.263 10.228 1.00 0.00 N ATOM 1060 CA ASN A 69 11.152 9.269 9.677 1.00 0.00 C ATOM 1061 C ASN A 69 10.743 8.939 8.239 1.00 0.00 C ATOM 1062 O ASN A 69 10.279 9.822 7.519 1.00 0.00 O ATOM 1063 CB ASN A 69 11.860 10.628 9.739 1.00 0.00 C ATOM 1064 CG ASN A 69 13.078 10.675 8.826 1.00 0.00 C ATOM 1065 OD1 ASN A 69 14.100 10.058 9.111 1.00 0.00 O ATOM 1066 ND2 ASN A 69 12.987 11.347 7.698 1.00 0.00 N ATOM 0 H ASN A 69 12.750 7.972 9.552 1.00 0.00 H new ATOM 0 HA ASN A 69 10.235 9.294 10.266 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.162 11.415 9.454 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.167 10.831 10.765 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.772 11.360 7.047 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.131 11.855 7.475 1.00 0.00 H new ATOM 1073 N LEU A 70 11.017 7.714 7.790 1.00 0.00 N ATOM 1074 CA LEU A 70 10.892 7.287 6.401 1.00 0.00 C ATOM 1075 C LEU A 70 10.308 5.882 6.354 1.00 0.00 C ATOM 1076 O LEU A 70 10.280 5.179 7.366 1.00 0.00 O ATOM 1077 CB LEU A 70 12.258 7.248 5.679 1.00 0.00 C ATOM 1078 CG LEU A 70 13.154 8.489 5.806 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.628 8.092 5.729 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.808 9.549 4.761 1.00 0.00 C ATOM 0 H LEU A 70 11.343 6.969 8.406 1.00 0.00 H new ATOM 0 HA LEU A 70 10.247 8.009 5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.815 6.389 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.075 7.070 4.619 1.00 0.00 H new ATOM 0 HG LEU A 70 12.969 8.936 6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.250 8.982 5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.862 7.401 6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.825 7.609 4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.464 10.410 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.941 9.132 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.772 9.861 4.889 1.00 0.00 H new ATOM 1092 N TYR A 71 9.958 5.442 5.149 1.00 0.00 N ATOM 1093 CA TYR A 71 9.366 4.144 4.867 1.00 0.00 C ATOM 1094 C TYR A 71 10.201 3.486 3.781 1.00 0.00 C ATOM 1095 O TYR A 71 10.370 4.100 2.739 1.00 0.00 O ATOM 1096 CB TYR A 71 7.903 4.355 4.402 1.00 0.00 C ATOM 1097 CG TYR A 71 7.067 5.309 5.246 1.00 0.00 C ATOM 1098 CD1 TYR A 71 7.048 6.687 4.959 1.00 0.00 C ATOM 1099 CD2 TYR A 71 6.306 4.826 6.322 1.00 0.00 C ATOM 1100 CE1 TYR A 71 6.336 7.576 5.783 1.00 0.00 C ATOM 1101 CE2 TYR A 71 5.565 5.700 7.135 1.00 0.00 C ATOM 1102 CZ TYR A 71 5.582 7.089 6.873 1.00 0.00 C ATOM 1103 OH TYR A 71 4.898 7.955 7.667 1.00 0.00 O ATOM 0 H TYR A 71 10.086 6.006 4.309 1.00 0.00 H new ATOM 0 HA TYR A 71 9.353 3.504 5.749 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.918 4.726 3.377 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.405 3.386 4.383 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.584 7.064 4.100 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.290 3.766 6.528 1.00 0.00 H new ATOM 0 HE1 TYR A 71 6.366 8.637 5.581 1.00 0.00 H new ATOM 0 HE2 TYR A 71 4.984 5.312 7.958 1.00 0.00 H new ATOM 0 HH TYR A 71 4.431 7.456 8.369 1.00 0.00 H new ATOM 1113 N ARG A 72 10.738 2.279 4.005 1.00 0.00 N ATOM 1114 CA ARG A 72 11.514 1.530 3.015 1.00 0.00 C ATOM 1115 C ARG A 72 11.290 0.033 3.158 1.00 0.00 C ATOM 1116 O ARG A 72 11.259 -0.472 4.282 1.00 0.00 O ATOM 1117 CB ARG A 72 13.000 1.842 3.180 1.00 0.00 C ATOM 1118 CG ARG A 72 13.709 1.220 4.389 1.00 0.00 C ATOM 1119 CD ARG A 72 14.281 -0.168 4.055 1.00 0.00 C ATOM 1120 NE ARG A 72 15.359 -0.594 4.957 1.00 0.00 N ATOM 1121 CZ ARG A 72 15.671 -1.870 5.222 1.00 0.00 C ATOM 1122 NH1 ARG A 72 14.961 -2.876 4.710 1.00 0.00 N ATOM 1123 NH2 ARG A 72 16.704 -2.162 5.999 1.00 0.00 N ATOM 0 H ARG A 72 10.642 1.790 4.895 1.00 0.00 H new ATOM 0 HA ARG A 72 11.180 1.834 2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.517 1.515 2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.115 2.924 3.239 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.514 1.877 4.717 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.008 1.135 5.219 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.476 -0.902 4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.657 -0.160 3.032 1.00 0.00 H new ATOM 0 HE ARG A 72 15.909 0.133 5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.164 -2.681 4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.215 -3.840 4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.268 -1.413 6.400 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.935 -3.136 6.196 1.00 0.00 H new ATOM 1137 N LEU A 73 11.143 -0.692 2.055 1.00 0.00 N ATOM 1138 CA LEU A 73 10.803 -2.108 2.060 1.00 0.00 C ATOM 1139 C LEU A 73 11.942 -2.877 1.417 1.00 0.00 C ATOM 1140 O LEU A 73 12.744 -3.492 2.124 1.00 0.00 O ATOM 1141 CB LEU A 73 9.422 -2.322 1.403 1.00 0.00 C ATOM 1142 CG LEU A 73 8.814 -3.720 1.550 1.00 0.00 C ATOM 1143 CD1 LEU A 73 9.070 -4.388 2.908 1.00 0.00 C ATOM 1144 CD2 LEU A 73 7.308 -3.587 1.344 1.00 0.00 C ATOM 0 H LEU A 73 11.259 -0.306 1.118 1.00 0.00 H new ATOM 0 HA LEU A 73 10.696 -2.496 3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.725 -1.599 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.509 -2.096 0.340 1.00 0.00 H new ATOM 0 HG LEU A 73 9.294 -4.360 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.604 -5.373 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.143 -4.492 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.645 -3.774 3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.840 -4.566 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.896 -2.911 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.111 -3.188 0.349 1.00 0.00 H new ATOM 1156 N GLU A 74 12.044 -2.817 0.095 1.00 0.00 N ATOM 1157 CA GLU A 74 13.093 -3.416 -0.702 1.00 0.00 C ATOM 1158 C GLU A 74 14.332 -2.517 -0.782 1.00 0.00 C ATOM 1159 O GLU A 74 15.453 -3.026 -0.788 1.00 0.00 O ATOM 1160 CB GLU A 74 12.514 -3.794 -2.069 1.00 0.00 C ATOM 1161 CG GLU A 74 12.587 -2.729 -3.161 1.00 0.00 C ATOM 1162 CD GLU A 74 11.828 -1.421 -2.886 1.00 0.00 C ATOM 1163 OE1 GLU A 74 10.956 -1.411 -1.986 1.00 0.00 O ATOM 1164 OE2 GLU A 74 12.140 -0.394 -3.529 1.00 0.00 O ATOM 0 H GLU A 74 11.358 -2.322 -0.475 1.00 0.00 H new ATOM 0 HA GLU A 74 13.450 -4.329 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.034 -4.683 -2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.468 -4.070 -1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.636 -2.487 -3.333 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.203 -3.160 -4.086 1.00 0.00 H new ATOM 1171 N GLY A 75 14.122 -1.200 -0.863 1.00 0.00 N ATOM 1172 CA GLY A 75 15.094 -0.237 -1.352 1.00 0.00 C ATOM 1173 C GLY A 75 15.364 0.830 -0.308 1.00 0.00 C ATOM 1174 O GLY A 75 15.574 0.498 0.863 1.00 0.00 O ATOM 0 H GLY A 75 13.242 -0.769 -0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.023 -0.748 -1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.725 0.227 -2.267 1.00 0.00 H new ATOM 1178 N GLU A 76 15.454 2.089 -0.737 1.00 0.00 N ATOM 1179 CA GLU A 76 15.688 3.222 0.153 1.00 0.00 C ATOM 1180 C GLU A 76 14.377 3.828 0.651 1.00 0.00 C ATOM 1181 O GLU A 76 13.304 3.312 0.341 1.00 0.00 O ATOM 1182 CB GLU A 76 16.646 4.226 -0.496 1.00 0.00 C ATOM 1183 CG GLU A 76 16.083 5.152 -1.583 1.00 0.00 C ATOM 1184 CD GLU A 76 17.202 6.096 -2.031 1.00 0.00 C ATOM 1185 OE1 GLU A 76 17.672 6.889 -1.179 1.00 0.00 O ATOM 1186 OE2 GLU A 76 17.748 5.918 -3.150 1.00 0.00 O ATOM 0 H GLU A 76 15.366 2.351 -1.719 1.00 0.00 H new ATOM 0 HA GLU A 76 16.189 2.870 1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 76 17.062 4.851 0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.475 3.666 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.717 4.568 -2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.237 5.721 -1.198 1.00 0.00 H new ATOM 1193 N GLY A 77 14.468 4.859 1.499 1.00 0.00 N ATOM 1194 CA GLY A 77 13.325 5.392 2.223 1.00 0.00 C ATOM 1195 C GLY A 77 12.840 6.733 1.693 1.00 0.00 C ATOM 1196 O GLY A 77 13.630 7.537 1.191 1.00 0.00 O ATOM 0 H GLY A 77 15.343 5.344 1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.507 4.674 2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.590 5.501 3.275 1.00 0.00 H new ATOM 1200 N PHE A 78 11.542 7.000 1.863 1.00 0.00 N ATOM 1201 CA PHE A 78 10.915 8.279 1.526 1.00 0.00 C ATOM 1202 C PHE A 78 10.125 8.807 2.721 1.00 0.00 C ATOM 1203 O PHE A 78 9.741 8.015 3.580 1.00 0.00 O ATOM 1204 CB PHE A 78 10.028 8.174 0.267 1.00 0.00 C ATOM 1205 CG PHE A 78 10.817 8.381 -1.014 1.00 0.00 C ATOM 1206 CD1 PHE A 78 11.793 7.451 -1.416 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.653 9.566 -1.757 1.00 0.00 C ATOM 1208 CE1 PHE A 78 12.571 7.688 -2.561 1.00 0.00 C ATOM 1209 CE2 PHE A 78 11.405 9.785 -2.924 1.00 0.00 C ATOM 1210 CZ PHE A 78 12.360 8.841 -3.332 1.00 0.00 C ATOM 0 H PHE A 78 10.886 6.319 2.246 1.00 0.00 H new ATOM 0 HA PHE A 78 11.707 8.990 1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.551 7.194 0.243 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.231 8.916 0.324 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.945 6.550 -0.841 1.00 0.00 H new ATOM 0 HD2 PHE A 78 9.944 10.312 -1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 78 13.334 6.980 -2.849 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.248 10.680 -3.507 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.930 9.001 -4.235 1.00 0.00 H new ATOM 1220 N PRO A 79 9.871 10.126 2.780 1.00 0.00 N ATOM 1221 CA PRO A 79 9.214 10.804 3.897 1.00 0.00 C ATOM 1222 C PRO A 79 7.709 10.564 3.954 1.00 0.00 C ATOM 1223 O PRO A 79 7.072 10.958 4.930 1.00 0.00 O ATOM 1224 CB PRO A 79 9.481 12.297 3.673 1.00 0.00 C ATOM 1225 CG PRO A 79 9.645 12.410 2.167 1.00 0.00 C ATOM 1226 CD PRO A 79 10.302 11.096 1.786 1.00 0.00 C ATOM 0 HA PRO A 79 9.607 10.423 4.840 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.655 12.910 4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.376 12.627 4.199 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.685 12.539 1.667 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.265 13.264 1.893 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.003 10.787 0.785 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.388 11.191 1.779 1.00 0.00 H new ATOM 1234 N SER A 80 7.121 9.964 2.922 1.00 0.00 N ATOM 1235 CA SER A 80 5.692 9.748 2.810 1.00 0.00 C ATOM 1236 C SER A 80 5.510 8.332 2.289 1.00 0.00 C ATOM 1237 O SER A 80 6.376 7.807 1.582 1.00 0.00 O ATOM 1238 CB SER A 80 5.102 10.791 1.858 1.00 0.00 C ATOM 1239 OG SER A 80 5.591 12.100 2.109 1.00 0.00 O ATOM 0 H SER A 80 7.645 9.607 2.123 1.00 0.00 H new ATOM 0 HA SER A 80 5.176 9.857 3.764 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.334 10.512 0.830 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.016 10.789 1.951 1.00 0.00 H new ATOM 0 HG SER A 80 5.186 12.728 1.475 1.00 0.00 H new ATOM 1245 N ILE A 81 4.397 7.710 2.659 1.00 0.00 N ATOM 1246 CA ILE A 81 3.998 6.422 2.113 1.00 0.00 C ATOM 1247 C ILE A 81 3.734 6.594 0.611 1.00 0.00 C ATOM 1248 O ILE A 81 4.279 5.801 -0.157 1.00 0.00 O ATOM 1249 CB ILE A 81 2.819 5.838 2.931 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.369 5.404 4.310 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.079 4.663 2.262 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.310 5.182 5.392 1.00 0.00 C ATOM 0 H ILE A 81 3.746 8.087 3.348 1.00 0.00 H new ATOM 0 HA ILE A 81 4.789 5.677 2.203 1.00 0.00 H new ATOM 0 HB ILE A 81 2.068 6.624 3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.936 4.481 4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.069 6.163 4.659 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.272 4.324 2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.665 4.990 1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.777 3.843 2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.796 4.881 6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.757 6.107 5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.622 4.400 5.072 1.00 0.00 H new ATOM 1264 N PRO A 82 2.957 7.603 0.152 1.00 0.00 N ATOM 1265 CA PRO A 82 2.548 7.671 -1.248 1.00 0.00 C ATOM 1266 C PRO A 82 3.728 7.899 -2.189 1.00 0.00 C ATOM 1267 O PRO A 82 3.729 7.414 -3.318 1.00 0.00 O ATOM 1268 CB PRO A 82 1.520 8.804 -1.347 1.00 0.00 C ATOM 1269 CG PRO A 82 1.789 9.656 -0.112 1.00 0.00 C ATOM 1270 CD PRO A 82 2.253 8.632 0.907 1.00 0.00 C ATOM 0 HA PRO A 82 2.116 6.721 -1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.647 9.379 -2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.500 8.418 -1.351 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.550 10.413 -0.301 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.893 10.181 0.221 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.909 9.089 1.648 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.407 8.209 1.448 1.00 0.00 H new ATOM 1278 N LEU A 83 4.754 8.597 -1.699 1.00 0.00 N ATOM 1279 CA LEU A 83 5.951 8.896 -2.459 1.00 0.00 C ATOM 1280 C LEU A 83 6.652 7.587 -2.822 1.00 0.00 C ATOM 1281 O LEU A 83 7.166 7.459 -3.929 1.00 0.00 O ATOM 1282 CB LEU A 83 6.844 9.849 -1.640 1.00 0.00 C ATOM 1283 CG LEU A 83 6.553 11.342 -1.914 1.00 0.00 C ATOM 1284 CD1 LEU A 83 5.163 11.839 -1.517 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.573 12.232 -1.197 1.00 0.00 C ATOM 0 H LEU A 83 4.769 8.972 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 83 5.709 9.403 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.702 9.647 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.890 9.642 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 83 6.619 11.414 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.074 12.899 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.406 11.278 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.017 11.695 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.351 13.279 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.520 12.054 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.576 11.997 -1.554 1.00 0.00 H new ATOM 1297 N LEU A 84 6.651 6.616 -1.903 1.00 0.00 N ATOM 1298 CA LEU A 84 7.270 5.319 -2.127 1.00 0.00 C ATOM 1299 C LEU A 84 6.345 4.412 -2.948 1.00 0.00 C ATOM 1300 O LEU A 84 6.837 3.616 -3.744 1.00 0.00 O ATOM 1301 CB LEU A 84 7.589 4.662 -0.772 1.00 0.00 C ATOM 1302 CG LEU A 84 8.842 3.756 -0.695 1.00 0.00 C ATOM 1303 CD1 LEU A 84 9.200 2.973 -1.964 1.00 0.00 C ATOM 1304 CD2 LEU A 84 10.051 4.590 -0.309 1.00 0.00 C ATOM 0 H LEU A 84 6.219 6.714 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 84 8.194 5.461 -2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.701 5.454 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.725 4.068 -0.475 1.00 0.00 H new ATOM 0 HG LEU A 84 8.578 3.008 0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.095 2.377 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.373 2.315 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.387 3.670 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.932 3.950 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.211 5.366 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.879 5.053 0.663 1.00 0.00 H new ATOM 1316 N ILE A 85 5.017 4.508 -2.775 1.00 0.00 N ATOM 1317 CA ILE A 85 4.083 3.678 -3.536 1.00 0.00 C ATOM 1318 C ILE A 85 4.328 3.863 -5.029 1.00 0.00 C ATOM 1319 O ILE A 85 4.321 2.865 -5.739 1.00 0.00 O ATOM 1320 CB ILE A 85 2.606 3.937 -3.152 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.273 3.498 -1.711 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.626 3.234 -4.110 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.484 2.017 -1.381 1.00 0.00 C ATOM 0 H ILE A 85 4.573 5.149 -2.118 1.00 0.00 H new ATOM 0 HA ILE A 85 4.272 2.636 -3.279 1.00 0.00 H new ATOM 0 HB ILE A 85 2.485 5.018 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.879 4.090 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.231 3.747 -1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.602 3.444 -3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.782 3.601 -5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.800 2.158 -4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.216 1.834 -0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.856 1.407 -2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.530 1.755 -1.537 1.00 0.00 H new ATOM 1335 N ASP A 86 4.595 5.074 -5.524 1.00 0.00 N ATOM 1336 CA ASP A 86 4.874 5.241 -6.951 1.00 0.00 C ATOM 1337 C ASP A 86 6.137 4.498 -7.354 1.00 0.00 C ATOM 1338 O ASP A 86 6.172 3.838 -8.386 1.00 0.00 O ATOM 1339 CB ASP A 86 5.049 6.704 -7.319 1.00 0.00 C ATOM 1340 CG ASP A 86 5.508 6.834 -8.774 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.674 6.704 -9.700 1.00 0.00 O ATOM 1342 OD2 ASP A 86 6.713 7.110 -8.996 1.00 0.00 O ATOM 0 H ASP A 86 4.624 5.933 -4.974 1.00 0.00 H new ATOM 0 HA ASP A 86 4.015 4.831 -7.482 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.108 7.237 -7.178 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.780 7.168 -6.657 1.00 0.00 H new ATOM 1347 N HIS A 87 7.188 4.593 -6.548 1.00 0.00 N ATOM 1348 CA HIS A 87 8.476 3.996 -6.874 1.00 0.00 C ATOM 1349 C HIS A 87 8.432 2.471 -6.712 1.00 0.00 C ATOM 1350 O HIS A 87 9.392 1.784 -7.064 1.00 0.00 O ATOM 1351 CB HIS A 87 9.595 4.660 -6.064 1.00 0.00 C ATOM 1352 CG HIS A 87 9.670 6.166 -6.224 1.00 0.00 C ATOM 1353 ND1 HIS A 87 8.847 6.965 -6.995 1.00 0.00 N ATOM 1354 CD2 HIS A 87 10.558 6.993 -5.591 1.00 0.00 C ATOM 1355 CE1 HIS A 87 9.199 8.237 -6.790 1.00 0.00 C ATOM 1356 NE2 HIS A 87 10.273 8.309 -5.985 1.00 0.00 N ATOM 0 H HIS A 87 7.171 5.084 -5.654 1.00 0.00 H new ATOM 0 HA HIS A 87 8.700 4.181 -7.925 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.453 4.425 -5.009 1.00 0.00 H new ATOM 0 HB3 HIS A 87 10.550 4.226 -6.362 1.00 0.00 H new ATOM 0 HD1 HIS A 87 8.102 6.641 -7.612 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.338 6.687 -4.910 1.00 0.00 H new ATOM 0 HE1 HIS A 87 8.690 9.091 -7.213 1.00 0.00 H new ATOM 1364 N LEU A 88 7.297 1.914 -6.279 1.00 0.00 N ATOM 1365 CA LEU A 88 6.952 0.506 -6.370 1.00 0.00 C ATOM 1366 C LEU A 88 5.964 0.234 -7.509 1.00 0.00 C ATOM 1367 O LEU A 88 6.077 -0.791 -8.180 1.00 0.00 O ATOM 1368 CB LEU A 88 6.292 0.076 -5.070 1.00 0.00 C ATOM 1369 CG LEU A 88 7.171 0.011 -3.817 1.00 0.00 C ATOM 1370 CD1 LEU A 88 6.710 -1.218 -3.039 1.00 0.00 C ATOM 1371 CD2 LEU A 88 8.683 -0.108 -4.020 1.00 0.00 C ATOM 0 H LEU A 88 6.563 2.466 -5.835 1.00 0.00 H new ATOM 0 HA LEU A 88 7.870 -0.049 -6.560 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.469 0.762 -4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.855 -0.910 -5.225 1.00 0.00 H new ATOM 0 HG LEU A 88 7.043 0.970 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.304 -1.317 -2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.658 -1.108 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.839 -2.108 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.179 -0.144 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.905 -1.020 -4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.044 0.755 -4.580 1.00 0.00 H new ATOM 1383 N LEU A 89 4.951 1.080 -7.702 1.00 0.00 N ATOM 1384 CA LEU A 89 3.848 0.835 -8.636 1.00 0.00 C ATOM 1385 C LEU A 89 4.274 1.140 -10.067 1.00 0.00 C ATOM 1386 O LEU A 89 3.724 0.594 -11.013 1.00 0.00 O ATOM 1387 CB LEU A 89 2.628 1.711 -8.303 1.00 0.00 C ATOM 1388 CG LEU A 89 1.333 1.105 -8.884 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.721 -0.013 -8.088 1.00 0.00 C ATOM 1390 CD2 LEU A 89 0.247 2.148 -9.130 1.00 0.00 C ATOM 0 H LEU A 89 4.871 1.968 -7.207 1.00 0.00 H new ATOM 0 HA LEU A 89 3.580 -0.217 -8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.533 1.811 -7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.776 2.714 -8.704 1.00 0.00 H new ATOM 0 HG LEU A 89 1.687 0.685 -9.826 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.183 -0.363 -8.587 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.433 -0.835 -8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.468 0.346 -7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.639 1.662 -9.539 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.008 2.636 -8.189 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.611 2.892 -9.838 1.00 0.00 H new ATOM 1402 N SER A 90 5.272 1.999 -10.227 1.00 0.00 N ATOM 1403 CA SER A 90 5.845 2.309 -11.514 1.00 0.00 C ATOM 1404 C SER A 90 6.800 1.173 -11.916 1.00 0.00 C ATOM 1405 O SER A 90 6.943 0.869 -13.100 1.00 0.00 O ATOM 1406 CB SER A 90 6.558 3.672 -11.411 1.00 0.00 C ATOM 1407 OG SER A 90 6.742 4.298 -12.662 1.00 0.00 O ATOM 0 H SER A 90 5.706 2.502 -9.453 1.00 0.00 H new ATOM 0 HA SER A 90 5.082 2.386 -12.289 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.978 4.330 -10.764 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.529 3.532 -10.935 1.00 0.00 H new ATOM 0 HG SER A 90 7.196 5.157 -12.534 1.00 0.00 H new ATOM 1413 N THR A 91 7.453 0.543 -10.931 1.00 0.00 N ATOM 1414 CA THR A 91 8.653 -0.269 -11.115 1.00 0.00 C ATOM 1415 C THR A 91 8.314 -1.753 -11.094 1.00 0.00 C ATOM 1416 O THR A 91 8.914 -2.531 -11.837 1.00 0.00 O ATOM 1417 CB THR A 91 9.665 0.096 -10.015 1.00 0.00 C ATOM 1418 OG1 THR A 91 9.128 -0.180 -8.739 1.00 0.00 O ATOM 1419 CG2 THR A 91 9.971 1.592 -10.061 1.00 0.00 C ATOM 0 H THR A 91 7.149 0.588 -9.958 1.00 0.00 H new ATOM 0 HA THR A 91 9.094 -0.062 -12.090 1.00 0.00 H new ATOM 0 HB THR A 91 10.567 -0.492 -10.186 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.410 0.515 -8.108 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.688 1.841 -9.279 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.392 1.848 -11.034 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.052 2.156 -9.903 1.00 0.00 H new ATOM 1427 N GLN A 92 7.267 -2.109 -10.339 1.00 0.00 N ATOM 1428 CA GLN A 92 6.753 -3.457 -10.147 1.00 0.00 C ATOM 1429 C GLN A 92 7.730 -4.264 -9.286 1.00 0.00 C ATOM 1430 O GLN A 92 7.993 -5.444 -9.525 1.00 0.00 O ATOM 1431 CB GLN A 92 6.353 -4.122 -11.486 1.00 0.00 C ATOM 1432 CG GLN A 92 5.638 -3.203 -12.498 1.00 0.00 C ATOM 1433 CD GLN A 92 4.231 -2.784 -12.085 1.00 0.00 C ATOM 1434 OE1 GLN A 92 3.278 -2.997 -12.826 1.00 0.00 O ATOM 1435 NE2 GLN A 92 4.018 -2.195 -10.925 1.00 0.00 N ATOM 0 H GLN A 92 6.729 -1.417 -9.818 1.00 0.00 H new ATOM 0 HA GLN A 92 5.816 -3.418 -9.591 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.252 -4.521 -11.956 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.703 -4.970 -11.270 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.242 -2.308 -12.646 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.584 -3.714 -13.459 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.799 -2.010 -10.296 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.072 -1.924 -10.657 1.00 0.00 H new ATOM 1444 N GLN A 93 8.301 -3.590 -8.287 1.00 0.00 N ATOM 1445 CA GLN A 93 9.286 -4.182 -7.394 1.00 0.00 C ATOM 1446 C GLN A 93 8.654 -5.191 -6.434 1.00 0.00 C ATOM 1447 O GLN A 93 7.501 -5.022 -6.026 1.00 0.00 O ATOM 1448 CB GLN A 93 10.002 -3.099 -6.575 1.00 0.00 C ATOM 1449 CG GLN A 93 11.318 -2.717 -7.252 1.00 0.00 C ATOM 1450 CD GLN A 93 12.050 -1.619 -6.534 1.00 0.00 C ATOM 1451 OE1 GLN A 93 13.204 -1.767 -6.147 1.00 0.00 O ATOM 1452 NE2 GLN A 93 11.411 -0.483 -6.377 1.00 0.00 N ATOM 0 H GLN A 93 8.089 -2.614 -8.077 1.00 0.00 H new ATOM 0 HA GLN A 93 10.005 -4.704 -8.025 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.363 -2.221 -6.481 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.195 -3.462 -5.566 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.959 -3.596 -7.310 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.116 -2.402 -8.276 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.451 -0.388 -6.709 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.874 0.304 -5.923 1.00 0.00 H new ATOM 1461 N PRO A 94 9.442 -6.186 -5.992 1.00 0.00 N ATOM 1462 CA PRO A 94 9.021 -7.148 -4.993 1.00 0.00 C ATOM 1463 C PRO A 94 8.997 -6.547 -3.588 1.00 0.00 C ATOM 1464 O PRO A 94 9.960 -5.916 -3.147 1.00 0.00 O ATOM 1465 CB PRO A 94 10.020 -8.300 -5.070 1.00 0.00 C ATOM 1466 CG PRO A 94 11.295 -7.626 -5.584 1.00 0.00 C ATOM 1467 CD PRO A 94 10.804 -6.448 -6.433 1.00 0.00 C ATOM 0 HA PRO A 94 8.002 -7.480 -5.190 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.175 -8.764 -4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.679 -9.084 -5.746 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.921 -7.285 -4.760 1.00 0.00 H new ATOM 0 HG3 PRO A 94 11.896 -8.316 -6.176 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.437 -5.572 -6.291 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.832 -6.692 -7.495 1.00 0.00 H new ATOM 1475 N LEU A 95 7.940 -6.861 -2.840 1.00 0.00 N ATOM 1476 CA LEU A 95 7.759 -6.454 -1.447 1.00 0.00 C ATOM 1477 C LEU A 95 8.669 -7.260 -0.518 1.00 0.00 C ATOM 1478 O LEU A 95 9.310 -6.707 0.372 1.00 0.00 O ATOM 1479 CB LEU A 95 6.285 -6.587 -1.024 1.00 0.00 C ATOM 1480 CG LEU A 95 5.292 -5.778 -1.881 1.00 0.00 C ATOM 1481 CD1 LEU A 95 3.952 -5.733 -1.151 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.746 -4.359 -2.220 1.00 0.00 C ATOM 0 H LEU A 95 7.165 -7.421 -3.196 1.00 0.00 H new ATOM 0 HA LEU A 95 8.040 -5.404 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.004 -7.639 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.189 -6.270 0.014 1.00 0.00 H new ATOM 0 HG LEU A 95 5.217 -6.290 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.235 -5.164 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.581 -6.748 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.082 -5.255 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.984 -3.868 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.897 -3.796 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.681 -4.400 -2.778 1.00 0.00 H new ATOM 1494 N THR A 96 8.778 -8.577 -0.702 1.00 0.00 N ATOM 1495 CA THR A 96 9.657 -9.401 0.118 1.00 0.00 C ATOM 1496 C THR A 96 10.094 -10.611 -0.692 1.00 0.00 C ATOM 1497 O THR A 96 9.322 -11.139 -1.495 1.00 0.00 O ATOM 1498 CB THR A 96 8.948 -9.790 1.437 1.00 0.00 C ATOM 1499 OG1 THR A 96 9.680 -10.786 2.131 1.00 0.00 O ATOM 1500 CG2 THR A 96 7.518 -10.320 1.248 1.00 0.00 C ATOM 0 H THR A 96 8.265 -9.094 -1.416 1.00 0.00 H new ATOM 0 HA THR A 96 10.551 -8.844 0.399 1.00 0.00 H new ATOM 0 HB THR A 96 8.897 -8.861 2.004 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.214 -11.015 2.962 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.091 -10.570 2.219 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.907 -9.555 0.769 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.540 -11.211 0.621 1.00 0.00 H new ATOM 1508 N LYS A 97 11.302 -11.110 -0.423 1.00 0.00 N ATOM 1509 CA LYS A 97 11.837 -12.344 -0.991 1.00 0.00 C ATOM 1510 C LYS A 97 11.032 -13.585 -0.588 1.00 0.00 C ATOM 1511 O LYS A 97 11.232 -14.653 -1.171 1.00 0.00 O ATOM 1512 CB LYS A 97 13.323 -12.462 -0.581 1.00 0.00 C ATOM 1513 CG LYS A 97 14.242 -12.883 -1.737 1.00 0.00 C ATOM 1514 CD LYS A 97 14.364 -11.856 -2.878 1.00 0.00 C ATOM 1515 CE LYS A 97 14.971 -10.527 -2.415 1.00 0.00 C ATOM 1516 NZ LYS A 97 15.303 -9.623 -3.538 1.00 0.00 N ATOM 0 H LYS A 97 11.952 -10.651 0.215 1.00 0.00 H new ATOM 0 HA LYS A 97 11.755 -12.296 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.661 -11.503 -0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.413 -13.187 0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.237 -13.080 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.874 -13.822 -2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.980 -12.275 -3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.377 -11.672 -3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.270 -10.026 -1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.873 -10.727 -1.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.709 -8.741 -3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.993 -10.085 -4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.440 -9.406 -4.076 1.00 0.00 H new ATOM 1530 N LYS A 98 10.109 -13.476 0.373 1.00 0.00 N ATOM 1531 CA LYS A 98 9.259 -14.589 0.782 1.00 0.00 C ATOM 1532 C LYS A 98 8.018 -14.771 -0.072 1.00 0.00 C ATOM 1533 O LYS A 98 7.421 -15.837 0.017 1.00 0.00 O ATOM 1534 CB LYS A 98 8.860 -14.425 2.259 1.00 0.00 C ATOM 1535 CG LYS A 98 10.033 -14.819 3.160 1.00 0.00 C ATOM 1536 CD LYS A 98 10.287 -16.334 3.147 1.00 0.00 C ATOM 1537 CE LYS A 98 11.775 -16.664 3.042 1.00 0.00 C ATOM 1538 NZ LYS A 98 12.520 -16.241 4.241 1.00 0.00 N ATOM 0 H LYS A 98 9.933 -12.612 0.887 1.00 0.00 H new ATOM 0 HA LYS A 98 9.854 -15.491 0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.570 -13.393 2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.993 -15.047 2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.933 -14.298 2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.831 -14.494 4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.881 -16.778 4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.756 -16.783 2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.899 -17.737 2.898 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.194 -16.174 2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.525 -16.483 4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.424 -15.213 4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.138 -16.728 5.077 1.00 0.00 H new ATOM 1552 N SER A 99 7.611 -13.774 -0.856 1.00 0.00 N ATOM 1553 CA SER A 99 6.373 -13.868 -1.620 1.00 0.00 C ATOM 1554 C SER A 99 6.490 -13.193 -2.993 1.00 0.00 C ATOM 1555 O SER A 99 5.687 -13.479 -3.872 1.00 0.00 O ATOM 1556 CB SER A 99 5.251 -13.340 -0.707 1.00 0.00 C ATOM 1557 OG SER A 99 3.938 -13.463 -1.206 1.00 0.00 O ATOM 0 H SER A 99 8.119 -12.898 -0.977 1.00 0.00 H new ATOM 0 HA SER A 99 6.134 -14.897 -1.890 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.307 -13.867 0.246 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.443 -12.287 -0.501 1.00 0.00 H new ATOM 0 HG SER A 99 3.304 -13.101 -0.552 1.00 0.00 H new ATOM 1563 N GLY A 100 7.479 -12.312 -3.202 1.00 0.00 N ATOM 1564 CA GLY A 100 7.706 -11.590 -4.450 1.00 0.00 C ATOM 1565 C GLY A 100 6.475 -10.827 -4.928 1.00 0.00 C ATOM 1566 O GLY A 100 6.333 -10.602 -6.127 1.00 0.00 O ATOM 0 H GLY A 100 8.161 -12.079 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.531 -10.890 -4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.012 -12.296 -5.222 1.00 0.00 H new ATOM 1570 N VAL A 101 5.596 -10.434 -4.000 1.00 0.00 N ATOM 1571 CA VAL A 101 4.442 -9.591 -4.265 1.00 0.00 C ATOM 1572 C VAL A 101 4.926 -8.363 -5.003 1.00 0.00 C ATOM 1573 O VAL A 101 5.919 -7.794 -4.559 1.00 0.00 O ATOM 1574 CB VAL A 101 3.786 -9.174 -2.943 1.00 0.00 C ATOM 1575 CG1 VAL A 101 2.505 -8.375 -3.162 1.00 0.00 C ATOM 1576 CG2 VAL A 101 3.514 -10.375 -2.041 1.00 0.00 C ATOM 0 H VAL A 101 5.676 -10.705 -3.020 1.00 0.00 H new ATOM 0 HA VAL A 101 3.707 -10.131 -4.861 1.00 0.00 H new ATOM 0 HB VAL A 101 4.502 -8.525 -2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.077 -8.102 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.732 -7.471 -3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.789 -8.980 -3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.049 -10.037 -1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.845 -11.069 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.453 -10.879 -1.812 1.00 0.00 H new ATOM 1586 N VAL A 102 4.227 -7.921 -6.043 1.00 0.00 N ATOM 1587 CA VAL A 102 4.509 -6.634 -6.649 1.00 0.00 C ATOM 1588 C VAL A 102 3.210 -5.834 -6.639 1.00 0.00 C ATOM 1589 O VAL A 102 2.115 -6.383 -6.781 1.00 0.00 O ATOM 1590 CB VAL A 102 5.209 -6.795 -8.024 1.00 0.00 C ATOM 1591 CG1 VAL A 102 6.195 -7.973 -8.089 1.00 0.00 C ATOM 1592 CG2 VAL A 102 4.278 -6.831 -9.239 1.00 0.00 C ATOM 0 H VAL A 102 3.463 -8.437 -6.480 1.00 0.00 H new ATOM 0 HA VAL A 102 5.241 -6.060 -6.081 1.00 0.00 H new ATOM 0 HB VAL A 102 5.775 -5.866 -8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.643 -8.018 -9.082 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.978 -7.834 -7.344 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.664 -8.903 -7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.869 -6.946 -10.147 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.590 -7.671 -9.145 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.711 -5.901 -9.291 1.00 0.00 H new ATOM 1602 N LEU A 103 3.341 -4.530 -6.417 1.00 0.00 N ATOM 1603 CA LEU A 103 2.303 -3.554 -6.674 1.00 0.00 C ATOM 1604 C LEU A 103 1.957 -3.632 -8.147 1.00 0.00 C ATOM 1605 O LEU A 103 2.849 -3.770 -8.972 1.00 0.00 O ATOM 1606 CB LEU A 103 2.877 -2.172 -6.377 1.00 0.00 C ATOM 1607 CG LEU A 103 3.146 -1.867 -4.891 1.00 0.00 C ATOM 1608 CD1 LEU A 103 2.942 -0.365 -4.681 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.316 -2.627 -3.847 1.00 0.00 C ATOM 0 H LEU A 103 4.196 -4.118 -6.044 1.00 0.00 H new ATOM 0 HA LEU A 103 1.420 -3.738 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.812 -2.061 -6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.188 -1.421 -6.764 1.00 0.00 H new ATOM 0 HG LEU A 103 4.164 -2.213 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.125 -0.116 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.636 0.188 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.919 -0.097 -4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.612 -2.311 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.258 -2.412 -3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.487 -3.698 -3.955 1.00 0.00 H new ATOM 1621 N HIS A 104 0.682 -3.523 -8.478 1.00 0.00 N ATOM 1622 CA HIS A 104 0.200 -3.664 -9.855 1.00 0.00 C ATOM 1623 C HIS A 104 -1.132 -2.935 -10.036 1.00 0.00 C ATOM 1624 O HIS A 104 -1.402 -2.433 -11.127 1.00 0.00 O ATOM 1625 CB HIS A 104 0.038 -5.163 -10.198 1.00 0.00 C ATOM 1626 CG HIS A 104 1.119 -5.839 -11.010 1.00 0.00 C ATOM 1627 ND1 HIS A 104 2.044 -5.252 -11.840 1.00 0.00 N ATOM 1628 CD2 HIS A 104 1.331 -7.194 -11.065 1.00 0.00 C ATOM 1629 CE1 HIS A 104 2.816 -6.221 -12.355 1.00 0.00 C ATOM 1630 NE2 HIS A 104 2.415 -7.427 -11.918 1.00 0.00 N ATOM 0 H HIS A 104 -0.057 -3.333 -7.801 1.00 0.00 H new ATOM 0 HA HIS A 104 0.929 -3.217 -10.531 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.062 -5.709 -9.260 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -0.903 -5.280 -10.736 1.00 0.00 H new ATOM 0 HD1 HIS A 104 2.129 -4.254 -12.031 1.00 0.00 H new ATOM 0 HD2 HIS A 104 0.761 -7.948 -10.542 1.00 0.00 H new ATOM 0 HE1 HIS A 104 3.645 -6.055 -13.027 1.00 0.00 H new ATOM 1638 N ARG A 105 -1.968 -2.845 -8.996 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.253 -2.165 -9.017 1.00 0.00 C ATOM 1640 C ARG A 105 -3.561 -1.656 -7.618 1.00 0.00 C ATOM 1641 O ARG A 105 -3.077 -2.225 -6.652 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.316 -3.153 -9.482 1.00 0.00 C ATOM 1643 CG ARG A 105 -5.701 -2.504 -9.595 1.00 0.00 C ATOM 1644 CD ARG A 105 -6.507 -3.217 -10.672 1.00 0.00 C ATOM 1645 NE ARG A 105 -7.914 -2.806 -10.665 1.00 0.00 N ATOM 1646 CZ ARG A 105 -8.493 -1.850 -11.395 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -7.763 -1.067 -12.186 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -9.811 -1.704 -11.317 1.00 0.00 N ATOM 0 H ARG A 105 -1.755 -3.260 -8.089 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.235 -1.316 -9.701 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.029 -3.564 -10.450 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -4.364 -3.988 -8.783 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.221 -2.561 -8.639 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -5.600 -1.447 -9.840 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -6.072 -3.007 -11.649 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -6.443 -4.294 -10.520 1.00 0.00 H new ATOM 0 HE ARG A 105 -8.525 -3.312 -10.024 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -6.752 -1.195 -12.238 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -8.214 -0.339 -12.740 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -10.357 -2.315 -10.709 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.277 -0.981 -11.865 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.377 -0.623 -7.479 1.00 0.00 N ATOM 1663 CA ALA A 106 -4.793 -0.105 -6.183 1.00 0.00 C ATOM 1664 C ALA A 106 -6.318 -0.200 -6.088 1.00 0.00 C ATOM 1665 O ALA A 106 -6.998 -0.278 -7.118 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.248 1.322 -6.057 1.00 0.00 C ATOM 0 H ALA A 106 -4.774 -0.115 -8.270 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.395 -0.680 -5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.543 1.740 -5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.160 1.304 -6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.653 1.938 -6.860 1.00 0.00 H new ATOM 1672 N VAL A 107 -6.871 -0.179 -4.874 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.316 -0.091 -4.657 1.00 0.00 C ATOM 1674 C VAL A 107 -8.658 1.362 -4.310 1.00 0.00 C ATOM 1675 O VAL A 107 -8.077 1.887 -3.368 1.00 0.00 O ATOM 1676 CB VAL A 107 -8.794 -1.045 -3.545 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.321 -1.179 -3.667 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.131 -2.430 -3.618 1.00 0.00 C ATOM 0 H VAL A 107 -6.328 -0.223 -4.012 1.00 0.00 H new ATOM 0 HA VAL A 107 -8.832 -0.397 -5.567 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.508 -0.625 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.690 -1.850 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.783 -0.199 -3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.574 -1.584 -4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.508 -3.057 -2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.364 -2.895 -4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.051 -2.322 -3.520 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.559 2.024 -5.046 1.00 0.00 N ATOM 1689 CA PRO A 108 -9.861 3.431 -4.852 1.00 0.00 C ATOM 1690 C PRO A 108 -10.903 3.658 -3.752 1.00 0.00 C ATOM 1691 O PRO A 108 -12.085 3.344 -3.921 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.346 3.889 -6.218 1.00 0.00 C ATOM 1693 CG PRO A 108 -11.054 2.661 -6.770 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.280 1.492 -6.189 1.00 0.00 C ATOM 0 HA PRO A 108 -8.996 3.999 -4.509 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.021 4.741 -6.140 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.518 4.196 -6.856 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.101 2.635 -6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -11.037 2.648 -7.860 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -10.952 0.689 -5.888 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.593 1.074 -6.925 1.00 0.00 H new ATOM 1702 N SER A 109 -10.488 4.254 -2.641 1.00 0.00 N ATOM 1703 CA SER A 109 -11.350 4.602 -1.510 1.00 0.00 C ATOM 1704 C SER A 109 -12.115 5.919 -1.735 1.00 0.00 C ATOM 1705 O SER A 109 -13.016 6.240 -0.952 1.00 0.00 O ATOM 1706 CB SER A 109 -10.482 4.688 -0.247 1.00 0.00 C ATOM 1707 OG SER A 109 -11.280 4.696 0.923 1.00 0.00 O ATOM 0 H SER A 109 -9.514 4.518 -2.494 1.00 0.00 H new ATOM 0 HA SER A 109 -12.107 3.826 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.795 3.842 -0.216 1.00 0.00 H new ATOM 0 HB3 SER A 109 -9.873 5.592 -0.282 1.00 0.00 H new ATOM 0 HG SER A 109 -12.117 5.173 0.745 1.00 0.00 H new ATOM 1713 N GLY A 110 -11.785 6.678 -2.788 1.00 0.00 N ATOM 1714 CA GLY A 110 -12.109 8.096 -2.870 1.00 0.00 C ATOM 1715 C GLY A 110 -11.170 8.906 -1.963 1.00 0.00 C ATOM 1716 O GLY A 110 -10.413 8.325 -1.183 1.00 0.00 O ATOM 0 H GLY A 110 -11.286 6.321 -3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.017 8.439 -3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.145 8.258 -2.571 1.00 0.00 H new